data_2ks6_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 2ks6 _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 ' 5' ' ' GLU . . . . . . . . . . . . . 60.2 mm-40 . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.821 0.343 . . . . 0.0 111.229 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -83.36 151.99 25.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.22 179.162 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -154.72 144.32 21.45 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.186 -176.579 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 63.2 tp -111.2 122.56 48.19 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.228 176.118 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 70.6 t80 -102.45 129.61 48.99 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.234 -174.182 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 97.2 t -115.32 128.88 72.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.274 177.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 9.1 t -136.66 147.38 46.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.193 174.215 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . 0.438 ' HA ' ' HB2' ' A' ' 116' ' ' HIS . 75.7 m -121.99 151.98 40.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.185 -176.264 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -91.77 -166.89 40.13 Favored Glycine 0 CA--C 1.523 0.57 0 N-CA-C 111.145 -0.782 . . . . 0.0 111.145 174.793 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -98.46 5.89 47.67 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.806 0.336 . . . . 0.0 111.267 178.595 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 90.3 m -60.22 -45.96 91.4 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.206 -176.148 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 27.7 m -132.73 162.17 59.0 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.26 178.756 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_exo -55.09 137.59 76.89 Favored 'Trans proline' 0 N--CA 1.458 -0.575 0 C-N-CA 121.699 1.6 . . . . 0.0 111.163 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . 0.537 ' N ' ' CD ' ' A' ' 19' ' ' PRO . 69.6 t80 -66.53 -42.99 50.09 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.212 -178.6 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . 0.537 ' CD ' ' N ' ' A' ' 18' ' ' PHE . 79.8 Cg_exo -51.61 -35.7 57.83 Favored 'Trans proline' 0 N--CA 1.458 -0.571 0 C-N-CA 121.644 1.563 . . . . 0.0 111.173 -178.918 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -73.18 -24.02 60.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.127 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 87.0 mt -87.18 -9.06 56.16 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.236 -179.091 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 75.4 t -73.07 -40.9 59.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.19 178.06 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 84.1 p -71.14 -19.73 62.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.217 -179.867 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 87.0 m -78.51 -16.65 57.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.248 -179.628 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 26.8 m -120.76 3.96 6.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.243 -178.66 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 91.1 mt -126.26 31.71 5.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.188 171.676 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 51.5 p -79.64 164.98 23.35 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.23 178.196 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 89.0 m-20 -59.55 -46.28 89.34 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.244 -178.508 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -73.91 -40.86 62.84 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.181 -178.56 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 57.4 t80 -55.08 -46.15 75.43 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.18 -177.048 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 89.5 m -75.9 -42.43 49.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.133 -178.336 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 65.2 tt0 -65.99 -33.67 76.35 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.242 -173.778 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 73.4 mm-40 -80.03 -39.72 29.27 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.229 -174.706 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.468 HD22 HD13 ' A' ' 172' ' ' LEU . 40.1 mt -65.7 -36.32 83.3 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.204 -172.901 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 49.4 pt -69.05 -11.63 15.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.206 179.257 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 61.0 mt-30 -101.33 -12.42 18.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.244 174.217 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 19.2 m-30 -90.26 -27.59 19.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.219 178.463 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 113.55 22.82 5.31 Favored Glycine 0 CA--C 1.523 0.531 0 N-CA-C 111.199 -0.761 . . . . 0.0 111.199 -177.568 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 88.4 m-85 -118.3 75.09 0.99 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.783 0.325 . . . . 0.0 111.183 177.178 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 31.1 m -94.09 -6.43 10.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.199 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 92.0 mtt-85 -109.48 93.52 4.55 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.2 175.653 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.418 ' O ' ' HA ' ' A' ' 93' ' ' VAL . 60.1 tp -104.08 116.24 31.87 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.252 -175.63 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 5.3 mp -114.18 119.54 61.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.198 -179.276 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 65.4 mt -115.54 124.79 72.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.162 -175.469 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 3.5 pp0? -102.42 144.82 30.4 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.232 -169.209 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 31.9 p90 -151.79 160.09 43.69 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.238 172.431 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -102.56 -27.92 6.56 Favored Glycine 0 CA--C 1.522 0.499 0 N-CA-C 111.27 -0.732 . . . . 0.0 111.27 -178.544 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 96.6 mtt-85 -111.8 146.68 37.2 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.778 0.323 . . . . 0.0 111.163 175.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 57.9 t-20 -59.36 109.33 0.85 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.195 -174.298 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 74.0 m-85 -124.81 27.65 6.73 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.161 172.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 92.9 p -66.38 -22.39 66.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.242 -172.137 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 93.3 p -71.99 -25.45 61.84 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.218 179.355 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 73.2 mm-40 -75.59 -26.85 58.24 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.202 178.665 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 98.3 m-85 -80.14 -45.46 18.12 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.23 176.154 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 88.2 tt0 -63.46 -36.69 84.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.219 178.184 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 83.9 t60 -56.58 -54.59 44.21 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.272 -178.86 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 84.2 mt -68.54 -25.4 64.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.217 -173.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 55.1 t -66.77 -42.45 89.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.245 171.136 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 88.2 mt-30 -70.35 -21.45 62.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.188 176.433 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 77.5 mm-40 -81.15 -2.42 48.41 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.202 176.634 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 90.6 mmt-85 -126.18 -3.11 6.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.228 175.138 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 74.62 27.03 66.03 Favored Glycine 0 CA--C 1.523 0.576 0 N-CA-C 111.226 -0.75 . . . . 0.0 111.226 174.897 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -86.32 -172.24 48.45 Favored Glycine 0 CA--C 1.523 0.555 0 N-CA-C 111.197 -0.761 . . . . 0.0 111.197 -178.452 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 97.1 mm-40 -115.03 171.89 7.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.757 0.313 . . . . 0.0 111.195 178.822 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -168.04 150.01 5.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.182 176.279 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 44.5 tt0 -151.0 130.46 12.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.181 -175.06 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 69.7 m -72.86 121.0 19.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.277 172.623 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 89.5 mt-30 -130.01 154.87 46.96 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.264 -168.348 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . 0.412 ' HA ' ' HA ' ' A' ' 79' ' ' ASP . 99.4 mttt -80.08 70.31 6.65 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.174 175.726 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.44 ' HA ' ' HD3' ' A' ' 71' ' ' PRO . 46.1 mm -62.07 123.37 77.62 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.232 -176.705 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . 0.44 ' HD3' ' HA ' ' A' ' 70' ' ' ILE . 58.4 Cg_exo -57.66 129.9 36.01 Favored 'Trans proline' 0 N--CA 1.458 -0.584 0 C-N-CA 121.704 1.603 . . . . 0.0 111.19 -177.941 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 93.9 mt -71.24 -36.49 62.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.226 171.379 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 99.0 m-20 -61.93 -37.08 83.36 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.173 178.865 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 50.9 tp60 -79.96 -65.3 1.02 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.246 -179.514 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 95.5 m-85 -97.73 -43.47 7.15 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.187 -173.613 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 112.97 -15.62 23.41 Favored Glycine 0 CA--C 1.522 0.482 0 N-CA-C 111.175 -0.77 . . . . 0.0 111.175 -176.351 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 71.6 m -71.66 159.91 33.58 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.845 0.355 . . . . 0.0 111.127 176.536 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -92.85 -166.96 38.9 Favored Glycine 0 CA--C 1.523 0.56 0 N-CA-C 111.239 -0.745 . . . . 0.0 111.239 -174.088 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . 0.412 ' HA ' ' HA ' ' A' ' 69' ' ' LYS . 99.1 m-20 -84.66 -7.09 59.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.805 0.336 . . . . 0.0 111.213 -174.381 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 69.7 p -96.9 0.82 49.67 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.204 178.665 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -65.23 144.7 57.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.231 176.731 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 43.4 ttm180 -114.14 132.49 56.05 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.129 -179.054 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 49.7 tt0 -91.38 129.9 37.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.147 173.747 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' TYR . . . . . 0.438 ' HB2' ' HB ' ' A' ' 93' ' ' VAL . 76.8 m-85 -111.59 140.15 46.44 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.223 178.312 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 92.4 t -105.47 111.72 35.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.252 -174.416 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 92.8 mt -125.83 158.43 35.04 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.157 179.621 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 76.8 mmm 60.56 33.0 20.53 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.161 178.346 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 96.5 m-20 65.08 34.09 9.02 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.144 177.728 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 94.97 -4.08 67.71 Favored Glycine 0 CA--C 1.523 0.567 0 N-CA-C 111.252 -0.739 . . . . 0.0 111.252 175.013 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -74.73 -26.69 59.97 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.781 0.324 . . . . 0.0 111.15 -179.794 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 65.5 tp -117.31 120.78 39.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.176 175.608 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -108.08 117.43 34.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.213 175.855 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . 0.438 ' HB ' ' HB2' ' A' ' 84' ' ' TYR . 64.0 t -110.71 125.38 68.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.214 -174.872 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 88.1 mt -105.92 121.47 58.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.158 177.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -114.71 135.02 12.05 Favored Glycine 0 CA--C 1.523 0.573 0 N-CA-C 111.188 -0.765 . . . . 0.0 111.188 175.634 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 72.4 t80 -156.82 141.19 16.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.826 0.346 . . . . 0.0 111.143 -173.448 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 63.1 t0 -83.3 105.05 13.94 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.199 173.879 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 69.1 m-85 -83.32 145.0 29.32 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.161 -173.749 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 47.8 t -115.02 -65.0 1.24 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.17 -171.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 41.9 p -116.75 -105.2 0.4 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.228 -169.062 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -97.17 0.95 49.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.189 -173.468 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 76.5 mtm -62.97 -29.91 71.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.163 179.462 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 7.8 pt20 -73.17 -22.39 60.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.188 178.879 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 71.5 m -84.84 -29.84 24.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.227 176.82 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 96.8 mt -64.0 -48.59 85.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.128 175.226 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 8.8 tp -66.82 -30.02 48.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.178 -179.819 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 81.3 mtm-85 -63.62 -49.12 74.54 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.201 175.684 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 97.9 m-20 -64.77 -35.92 82.63 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.248 177.187 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 109' ' ' TYR . . . . . . . . . . . . . 88.6 t80 -67.78 -40.23 83.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.213 178.31 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 77.4 p -70.84 166.41 21.13 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.208 -175.045 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 45.7 m-20 -101.31 -34.47 9.61 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.229 178.189 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 64.5 tp -137.3 129.87 29.96 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.199 -172.19 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 99.4 t -104.09 129.53 56.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.187 -176.766 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 114' ' ' ILE . . . . . 0.431 HD12 HD22 ' A' ' 172' ' ' LEU . 96.4 mt -106.39 123.71 61.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.245 173.881 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 48.1 t -108.47 113.77 27.07 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.232 175.847 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 116' ' ' HIS . . . . . 0.438 ' HB2' ' HA ' ' A' ' 12' ' ' CYS . 93.0 m-70 -83.73 89.88 7.22 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.193 172.494 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . 47.55 45.05 17.52 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.22 -177.673 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -88.2 175.05 44.31 Favored Glycine 0 CA--C 1.523 0.564 0 N-CA-C 111.252 -0.739 . . . . 0.0 111.252 -179.133 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 38.0 p -125.09 -70.38 0.75 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.832 0.349 . . . . 0.0 111.187 177.858 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -65.83 -27.81 73.08 Favored Glycine 0 CA--C 1.524 0.639 0 N-CA-C 111.153 -0.779 . . . . 0.0 111.153 177.722 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 84.5 p -65.18 -30.77 71.71 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.798 0.332 . . . . 0.0 111.174 178.644 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 122' ' ' ILE . . . . . . . . . . . . . 95.0 mt -69.13 -44.37 80.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.214 173.907 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 81.5 mt -61.46 -35.27 77.15 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.242 174.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 96.1 m-20 -65.95 -50.41 64.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.17 -175.912 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 21.1 t -62.71 -40.46 97.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.181 179.516 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 88.4 mt -73.42 -20.64 60.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.199 -179.851 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 80.8 ttt180 -85.81 -35.11 20.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.183 176.727 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 97.0 mt -89.05 2.92 53.32 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.238 -176.031 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 33.0 m120 65.84 37.32 5.63 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.228 177.426 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 71.7 mmtt -108.78 145.71 32.23 Favored Pre-proline 0 C--N 1.33 -0.257 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.209 176.383 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_endo -65.02 143.97 80.68 Favored 'Trans proline' 0 N--CA 1.459 -0.52 0 C-N-CA 121.693 1.596 . . . . 0.0 111.163 175.16 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 61.0 tp -131.49 124.05 29.34 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.185 -167.671 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 83.1 mt -106.6 121.04 58.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.191 166.867 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 81.0 t -108.81 118.54 56.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.209 -176.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 135' ' ' CYS . . . . . . . . . . . . . 52.8 t -93.41 122.15 35.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.181 174.088 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 27.1 m -84.66 172.83 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.276 -176.278 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 64.3 t30 . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.195 179.426 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.759 0.314 . . . . 0.0 111.241 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 93.7 m-20 -59.51 -38.84 82.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.173 -176.512 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 151' ' ' LYS . . . . . . . . . . . . . 74.9 mmtt -84.72 -33.83 23.04 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.147 -173.263 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 152' ' ' PHE . . . . . . . . . . . . . 11.0 m-30 -71.01 -36.16 72.31 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.247 176.184 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 153' ' ' VAL . . . . . . . . . . . . . 54.0 t -68.41 -40.2 81.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.215 173.387 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -56.82 -41.01 77.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.155 171.026 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 155' ' ' LEU . . . . . . . . . . . . . 44.6 tp -59.65 -58.29 9.25 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.23 176.424 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . 96.0 5.26 59.73 Favored Glycine 0 CA--C 1.522 0.504 0 N-CA-C 111.194 -0.762 . . . . 0.0 111.194 175.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 157' ' ' TYR . . . . . . . . . . . . . 34.8 m-85 -122.63 -10.79 8.31 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.8 0.333 . . . . 0.0 111.23 -179.313 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 158' ' ' VAL . . . . . . . . . . . . . 77.9 t -129.82 140.0 50.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.215 173.168 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 159' ' ' TRP . . . . . . . . . . . . . 51.9 t-105 -121.77 128.43 51.73 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.242 179.7 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 160' ' ' SER . . . . . . . . . . . . . 33.6 t -94.61 139.13 31.61 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.222 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 161' ' ' CYS . . . . . . . . . . . . . 91.8 m -125.46 151.78 45.8 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.16 179.171 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 162' ' ' ALA . . . . . 0.411 ' HB2' ' HD2' ' A' ' 163' ' ' PRO . . . -74.51 161.12 79.37 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.19 -178.431 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 163' ' ' PRO . . . . . 0.411 ' HD2' ' HB2' ' A' ' 162' ' ' ALA . 85.5 Cg_endo -79.5 64.2 8.82 Favored 'Trans proline' 0 N--CA 1.457 -0.653 0 C-N-CA 121.773 1.649 . . . . 0.0 111.219 -177.632 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 164' ' ' THR . . . . . . . . . . . . . 1.9 p -140.16 174.06 10.89 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.167 174.791 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 165' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -83.57 12.25 5.99 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.253 178.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 166' ' ' THR . . . . . . . . . . . . . 74.5 p -132.23 -25.48 1.98 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.223 -174.599 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 167' ' ' GLY . . . . . . . . . . . . . . . -64.93 -33.92 88.53 Favored Glycine 0 CA--C 1.524 0.611 0 N-CA-C 111.223 -0.751 . . . . 0.0 111.223 178.845 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 168' ' ' LEU . . . . . . . . . . . . . 55.5 tp -68.44 -52.04 37.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.77 0.319 . . . . 0.0 111.172 -179.013 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 169' ' ' ILE . . . . . 0.413 HD13 ' HA ' ' A' ' 169' ' ' ILE . 10.0 tp -67.79 -24.2 30.44 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.187 -179.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 170' ' ' ALA . . . . . . . . . . . . . . . -65.34 -41.03 94.33 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.204 170.529 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 171' ' ' GLY . . . . . . . . . . . . . . . -71.7 -30.41 66.26 Favored Glycine 0 CA--C 1.523 0.536 0 N-CA-C 111.231 -0.747 . . . . 0.0 111.231 175.711 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 172' ' ' LEU . . . . . 0.468 HD13 HD22 ' A' ' 34' ' ' LEU . 58.6 mt -73.01 -25.49 60.99 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.813 0.339 . . . . 0.0 111.211 176.57 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 173' ' ' ARG . . . . . . . . . . . . . 42.6 ttm180 -72.09 -37.83 69.49 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.22 164.668 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -77.64 -14.13 59.72 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.21 -176.81 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 28.8 p -63.64 -22.89 67.14 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.215 178.087 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 176' ' ' GLN . . . . . . . . . . . . . 85.7 mt-30 -113.52 -42.78 3.41 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.251 177.297 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 177' ' ' THR . . . . . . . . . . . . . 92.9 m -64.56 -47.0 80.38 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.18 179.353 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 178' ' ' GLU . . . . . . . . . . . . . 68.6 mm-40 -100.18 165.17 11.63 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.16 178.734 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 179' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -66.8 107.16 2.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.219 -178.895 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 180' ' ' LEU . . . . . . . . . . . . . 56.5 tp . . . . . 0 C--N 1.328 -0.339 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.22 169.845 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 95.3 mt-10 . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.734 0.302 . . . . 0.0 111.248 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . 0.423 ' HB2' ' HA ' ' A' ' 39' ' ' PHE . 75.0 mmtt -90.14 135.58 33.57 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.19 173.407 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -124.46 134.55 53.02 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.155 -168.449 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 82.0 mt -86.24 144.84 27.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.167 167.138 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 83.9 t80 -114.79 96.22 5.62 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.198 174.387 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 96.4 t -97.61 121.21 47.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.188 -178.064 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 97.2 m -109.3 121.62 45.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.199 170.461 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 80.1 m -103.08 127.62 50.27 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.231 -179.034 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -72.74 162.83 54.8 Favored Glycine 0 CA--C 1.523 0.584 0 N-CA-C 111.19 -0.764 . . . . 0.0 111.19 177.849 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -95.2 -2.84 48.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.789 0.328 . . . . 0.0 111.199 -178.207 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 90.2 m -57.86 -40.4 80.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.156 179.5 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.416 ' HB ' ' HD2' ' A' ' 17' ' ' PRO . 34.7 m -121.99 163.38 31.85 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.209 177.462 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . 0.416 ' HD2' ' HB ' ' A' ' 16' ' ' VAL . 80.1 Cg_exo -52.58 139.19 57.57 Favored 'Trans proline' 0 N--CA 1.458 -0.584 0 C-N-CA 121.706 1.604 . . . . 0.0 111.2 -179.62 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . 0.591 ' N ' ' CD ' ' A' ' 19' ' ' PRO . 46.1 m-85 -72.76 -38.75 5.11 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.219 -179.512 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . 0.591 ' CD ' ' N ' ' A' ' 18' ' ' PHE . 83.4 Cg_exo -51.25 -34.48 49.3 Favored 'Trans proline' 0 N--CA 1.458 -0.578 0 C-N-CA 121.682 1.588 . . . . 0.0 111.166 176.621 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 95.1 mttt -69.53 -32.52 71.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.22 176.769 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.408 HD23 ' HB3' ' A' ' 116' ' ' HIS . 88.5 mt -88.57 -4.9 58.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.209 -171.655 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 33.9 m -115.01 -2.79 10.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.199 176.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 79.0 p -72.78 -17.19 61.61 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.227 176.04 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 71.6 m -86.32 -18.17 32.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.181 -177.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 33.3 m -107.24 -1.73 9.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.224 -175.24 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 96.6 mt -112.4 15.18 20.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.213 -179.655 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 60.3 p -78.24 154.94 30.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.242 173.877 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -65.89 -36.48 83.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.22 179.072 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -70.45 -40.24 73.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.224 -179.446 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.402 ' CE2' HD23 ' A' ' 34' ' ' LEU . 67.9 t80 -62.78 -51.66 66.23 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.163 177.944 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 86.1 m -64.98 -32.41 74.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.208 -174.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 29.0 tt0 -71.51 -60.06 2.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.191 176.497 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 70.9 mm-40 -63.71 -32.89 74.52 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.202 -172.713 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.402 HD23 ' CE2' ' A' ' 30' ' ' PHE . 54.0 tp -57.86 -47.86 81.5 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.144 -179.458 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 91.0 mt -64.72 -32.61 58.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.17 177.36 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 99.7 mm-40 -68.74 -18.86 64.3 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.187 174.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 18.1 m-30 -88.7 -7.2 56.73 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.211 176.03 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 100.52 1.41 55.48 Favored Glycine 0 CA--C 1.523 0.56 0 N-CA-C 111.252 -0.739 . . . . 0.0 111.252 177.578 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.423 ' HA ' ' HB2' ' A' ' 6' ' ' LYS . 62.8 m-85 -97.5 128.11 44.0 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.766 0.317 . . . . 0.0 111.197 -177.366 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 27.5 m -131.85 -2.88 1.91 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.208 -173.727 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 28.2 ttm180 -124.94 139.97 53.35 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.183 177.639 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 57.8 tp -133.44 115.4 14.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.248 -179.807 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.43 HG23 ' CD1' ' A' ' 96' ' ' PHE . 98.2 mt -104.95 118.56 52.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.203 178.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 79.6 mt -118.56 115.94 49.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.178 -176.823 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 55.9 tp60 -78.41 129.73 35.28 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.243 173.828 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 77.6 m-85 -113.9 158.88 20.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.235 177.575 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -77.19 -62.12 2.51 Favored Glycine 0 CA--C 1.523 0.564 0 N-CA-C 111.199 -0.76 . . . . 0.0 111.199 -176.733 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 66.6 ttt180 -159.91 127.59 4.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.749 0.309 . . . . 0.0 111.208 -176.772 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 61.4 t30 61.02 57.43 2.53 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.185 171.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 87.5 m-85 -129.33 -36.69 1.69 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.202 173.501 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' SER . . . . . 0.435 ' O ' ' HB2' ' A' ' 82' ' ' ARG . 52.1 p -85.08 5.73 28.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.156 -179.714 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 69.5 m -55.78 -52.51 63.71 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.201 169.553 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 25.5 pt-20 -166.42 154.22 10.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.207 173.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 71.3 m-85 -122.78 25.02 8.87 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.223 174.904 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 25.3 tp10 -42.2 -45.15 4.0 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.174 -174.81 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 82.7 t60 -56.36 -55.08 37.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.183 178.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 97.1 mt -63.11 -33.02 74.55 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.201 -177.402 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.456 HG22 ' HB2' ' A' ' 65' ' ' ARG . 73.5 t -67.99 -36.99 77.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.239 -176.787 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 85.1 mt-30 -75.22 -18.64 60.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.234 179.522 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 76.3 mm-40 -80.07 -5.23 55.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.185 179.717 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 89.4 mmt-85 -125.15 -28.64 3.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.214 175.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 85.14 38.24 9.32 Favored Glycine 0 CA--C 1.523 0.562 0 N-CA-C 111.19 -0.764 . . . . 0.0 111.19 -173.753 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -95.31 -155.72 31.46 Favored Glycine 0 CA--C 1.524 0.608 0 N-CA-C 111.162 -0.775 . . . . 0.0 111.162 -175.176 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . 0.411 ' HB3' ' HB ' ' A' ' 85' ' ' VAL . 62.9 tt0 -130.48 141.44 50.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.808 0.337 . . . . 0.0 111.157 -179.213 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . 0.456 ' HB2' HG22 ' A' ' 58' ' ' VAL . 69.2 ttp85 -119.93 121.92 40.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.157 -173.392 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 78.0 mm-40 -135.73 168.18 19.77 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.227 -175.823 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 70.1 m -97.74 136.93 37.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.183 -177.798 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . 0.465 ' HG2' ' HB2' ' A' ' 83' ' ' GLN . 80.5 mm-40 -120.01 103.62 9.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.192 168.79 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 93.9 mttt -99.98 80.39 2.3 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.179 177.353 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 73.4 mt -99.07 126.64 37.44 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.218 -174.768 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 79.2 Cg_exo -50.81 128.31 23.92 Favored 'Trans proline' 0 N--CA 1.458 -0.614 0 C-N-CA 121.679 1.586 . . . . 0.0 111.204 178.299 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 96.8 mt -78.21 -44.01 27.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.165 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 99.2 m-20 -75.79 -10.47 59.45 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.162 -171.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 63.2 tt0 -105.01 -49.96 3.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.207 -178.522 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 91.0 m-85 -103.33 -17.76 15.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.238 -173.402 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 79.7 18.93 71.95 Favored Glycine 0 CA--C 1.523 0.535 0 N-CA-C 111.193 -0.763 . . . . 0.0 111.193 -178.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 73.9 m -118.69 152.69 35.65 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.767 0.317 . . . . 0.0 111.238 -179.673 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -63.87 142.35 46.38 Favored Glycine 0 CA--C 1.523 0.59 0 N-CA-C 111.199 -0.76 . . . . 0.0 111.199 -172.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 56.5 p-10 -93.25 6.74 47.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.763 0.316 . . . . 0.0 111.206 177.449 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 54.3 p -124.97 41.74 3.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.212 174.739 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -86.5 145.53 26.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.184 -171.256 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . 0.435 ' HB2' ' O ' ' A' ' 51' ' ' SER . 20.2 tpp180 -110.03 115.27 29.47 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.221 -176.613 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' GLN . . . . . 0.465 ' HB2' ' HG2' ' A' ' 68' ' ' GLN . 64.7 tt0 -83.02 118.32 23.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.166 -176.738 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -110.02 99.45 8.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.161 177.55 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . 0.411 ' HB ' ' HB3' ' A' ' 64' ' ' GLN . 91.4 t -77.08 124.0 34.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.186 -175.26 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 83.8 mt -125.79 161.61 26.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.168 178.494 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 92.8 mmm 66.01 30.02 9.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.231 173.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 96.5 m-20 65.08 35.6 7.88 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.21 176.27 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 88.37 29.14 20.38 Favored Glycine 0 CA--C 1.524 0.601 0 N-CA-C 111.206 -0.758 . . . . 0.0 111.206 176.206 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -115.53 -20.25 10.28 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.785 0.326 . . . . 0.0 111.233 179.53 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.42 ' HG ' HG21 ' A' ' 93' ' ' VAL . 64.6 tp -121.72 120.08 33.61 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.183 177.601 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 97.1 mttt -101.78 91.68 4.5 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.173 -178.056 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . 0.42 HG21 ' HG ' ' A' ' 91' ' ' LEU . 84.3 t -95.54 105.89 17.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.207 176.032 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 67.6 mt -115.03 122.98 70.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.206 -175.148 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -85.44 133.26 11.66 Favored Glycine 0 CA--C 1.524 0.597 0 N-CA-C 111.194 -0.762 . . . . 0.0 111.194 179.865 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' PHE . . . . . 0.43 ' CD1' HG23 ' A' ' 43' ' ' ILE . 96.8 m-85 -122.44 101.61 7.6 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.776 0.322 . . . . 0.0 111.2 -178.824 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 28.5 t70 -97.73 92.05 5.68 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.202 168.34 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 12.6 p90 -152.02 179.92 8.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.211 -179.824 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 82.1 p -61.23 -176.87 0.08 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.177 -176.055 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 47.0 p -91.52 35.39 0.95 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.203 -173.655 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 75.5 mmtt -80.68 8.2 8.53 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.172 169.295 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 25.9 ptt? -66.56 -10.06 41.43 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.171 174.666 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 88.5 mt-30 -59.93 -22.53 62.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.225 174.332 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 71.4 m -76.87 -37.05 56.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.24 171.918 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 96.6 mt -66.89 -43.09 89.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.187 -177.839 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 17.7 tt -64.73 -18.02 22.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.205 -173.199 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 79.3 ttt180 -98.7 -40.08 8.35 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.218 176.648 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 96.3 m-20 -87.65 -54.12 4.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.212 -167.854 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 109' ' ' TYR . . . . . . . . . . . . . 90.9 m-85 -95.59 -36.15 11.36 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.214 -171.117 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 47.3 t -60.43 129.02 39.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.173 -176.377 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 53.3 m-20 -105.56 -30.53 9.46 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.234 169.46 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 10.0 tt -139.05 132.12 29.62 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.196 168.389 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 90.8 t -91.96 139.06 18.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.189 -174.323 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 69.4 mt -131.81 134.29 60.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.221 179.352 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 32.3 t -122.24 113.38 19.38 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.223 -178.296 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 116' ' ' HIS . . . . . 0.408 ' HB3' HD23 ' A' ' 21' ' ' LEU . 36.1 m170 -100.07 127.44 46.3 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.2 177.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . 59.36 53.04 5.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.19 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 170.13 157.99 13.29 Favored Glycine 0 CA--C 1.523 0.546 0 N-CA-C 111.169 -0.772 . . . . 0.0 111.169 175.113 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 72.3 p -128.04 1.2 5.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.766 0.317 . . . . 0.0 111.143 -176.686 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -68.97 -17.61 71.81 Favored Glycine 0 CA--C 1.523 0.564 0 N-CA-C 111.212 -0.755 . . . . 0.0 111.212 -178.456 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 60.2 m -65.25 -23.08 66.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.821 0.343 . . . . 0.0 111.203 179.751 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 122' ' ' ILE . . . . . . . . . . . . . 96.6 mt -51.96 -38.6 23.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.192 178.649 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 93.8 mt -65.16 -32.27 73.88 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.196 -177.319 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 52.6 m-20 -97.27 -34.67 11.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.213 -168.38 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 32.9 t -69.45 -41.68 75.92 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.231 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 39.7 mt -80.81 -26.91 36.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.232 -170.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 52.9 ptt85 -74.8 -11.72 60.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.183 174.312 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 95.2 mt -95.25 -3.75 47.0 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.232 170.039 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 88.9 m-20 64.74 34.66 9.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.241 -174.307 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 95.8 mttt -116.43 148.14 41.11 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.207 -177.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 46.6 Cg_endo -69.05 147.48 67.57 Favored 'Trans proline' 0 N--CA 1.459 -0.542 0 C-N-CA 121.688 1.592 . . . . 0.0 111.187 -179.29 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 132' ' ' LEU . . . . . 0.433 ' HB3' HG23 ' A' ' 158' ' ' VAL . 43.4 tp -128.25 128.38 44.56 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.169 178.891 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 89.9 mt -107.87 122.85 62.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.193 169.89 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 89.5 t -109.14 128.07 65.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.171 -177.28 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 135' ' ' CYS . . . . . . . . . . . . . 53.4 t -105.09 122.9 46.85 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.211 -179.013 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 69.9 t -66.94 130.68 32.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.17 179.526 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 46.0 p-10 . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.154 177.646 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.814 0.34 . . . . 0.0 111.21 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 93.6 m-20 -69.95 -40.26 75.57 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.213 -176.446 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 151' ' ' LYS . . . . . . . . . . . . . 75.9 mmtt -115.01 -59.96 1.95 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.24 -169.453 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 152' ' ' PHE . . . . . 0.489 ' HB3' ' HB ' ' A' ' 158' ' ' VAL . 37.9 m-85 -74.99 -31.18 61.37 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.202 -163.386 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 153' ' ' VAL . . . . . . . . . . . . . 55.0 t -70.1 -39.96 77.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.182 175.04 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -69.85 -31.0 68.62 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.158 176.311 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 155' ' ' LEU . . . . . . . . . . . . . 96.0 mt -79.49 -28.69 41.45 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.236 174.538 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . 80.82 46.54 7.14 Favored Glycine 0 CA--C 1.523 0.584 0 N-CA-C 111.199 -0.76 . . . . 0.0 111.199 174.241 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 157' ' ' TYR . . . . . . . . . . . . . 81.4 m-85 -125.47 -44.95 1.82 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.814 0.34 . . . . 0.0 111.203 177.045 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 158' ' ' VAL . . . . . 0.489 ' HB ' ' HB3' ' A' ' 152' ' ' PHE . 48.1 t -125.06 129.2 73.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.206 178.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 159' ' ' TRP . . . . . . . . . . . . . 25.9 m-90 -119.97 129.93 54.53 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.224 -178.15 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 160' ' ' SER . . . . . . . . . . . . . 97.4 p -86.94 151.12 23.58 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.216 -179.656 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 161' ' ' CYS . . . . . . . . . . . . . 92.1 m -129.99 147.98 51.8 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.206 175.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -65.7 158.29 75.23 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.238 177.832 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 163' ' ' PRO . . . . . . . . . . . . . 93.2 Cg_endo -74.96 65.77 6.01 Favored 'Trans proline' 0 N--CA 1.458 -0.608 0 C-N-CA 121.709 1.606 . . . . 0.0 111.23 179.246 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 164' ' ' THR . . . . . . . . . . . . . 13.1 t -160.29 -179.3 7.6 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.238 178.048 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 165' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 -73.74 -40.69 63.33 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.21 -172.868 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 166' ' ' THR . . . . . . . . . . . . . 81.4 p -81.39 -15.03 56.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.185 -173.818 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 167' ' ' GLY . . . . . . . . . . . . . . . -66.92 -47.92 63.47 Favored Glycine 0 CA--C 1.524 0.601 0 N-CA-C 111.153 -0.779 . . . . 0.0 111.153 177.536 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 168' ' ' LEU . . . . . . . . . . . . . 59.7 tp -64.32 -39.88 94.79 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.785 0.326 . . . . 0.0 111.155 176.857 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 96.0 mt -61.28 -43.83 97.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.255 177.744 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 170' ' ' ALA . . . . . . . . . . . . . . . -65.51 -33.01 74.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.222 175.304 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 171' ' ' GLY . . . . . . . . . . . . . . . -62.39 -37.04 93.98 Favored Glycine 0 CA--C 1.523 0.564 0 N-CA-C 111.223 -0.751 . . . . 0.0 111.223 178.641 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 83.1 mt -61.05 -35.04 75.86 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.78 0.324 . . . . 0.0 111.166 177.316 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 173' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -77.38 -32.82 55.15 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.207 174.533 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -64.96 -31.18 72.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.17 -179.224 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 54.0 p -64.28 -20.82 66.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.176 179.508 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 176' ' ' GLN . . . . . . . . . . . . . 92.7 mm-40 -100.96 6.26 43.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.219 -176.626 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 177' ' ' THR . . . . . . . . . . . . . 89.4 m -70.59 -45.45 65.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.248 -179.038 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 178' ' ' GLU . . . . . . . . . . . . . 94.3 mt-10 -123.97 149.95 45.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.19 -178.531 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 179' ' ' LYS . . . . . . . . . . . . . 87.4 tttt -76.4 110.05 10.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.191 -179.422 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 180' ' ' LEU . . . . . 0.472 HD21 ' C ' ' A' ' 180' ' ' LEU . 7.1 tt . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.183 179.894 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.78 0.324 . . . . 0.0 111.216 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 91.4 mttt -83.05 156.09 23.54 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.232 -176.897 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -143.96 131.73 21.38 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.193 -172.715 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 91.4 mt -94.77 147.86 22.89 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.195 177.376 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 40.0 t80 -123.04 118.1 26.98 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.129 168.338 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 94.2 t -110.08 125.2 67.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.256 -168.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 96.9 m -125.01 117.25 23.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.189 171.571 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 72.4 m -82.78 168.68 16.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.244 -175.144 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -120.92 -160.39 11.07 Favored Glycine 0 CA--C 1.522 0.516 0 N-CA-C 111.2 -0.76 . . . . 0.0 111.2 -176.78 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -90.26 -48.14 7.34 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.745 0.307 . . . . 0.0 111.151 -176.506 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 80.0 m -69.88 -40.41 75.7 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.217 178.909 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 42.7 t -121.76 83.03 42.27 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.253 172.419 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . 0.484 ' HG2' ' HD2' ' A' ' 19' ' ' PRO . 91.1 Cg_endo -81.04 -132.27 0.01 OUTLIER 'Trans proline' 0 N--CA 1.458 -0.587 0 C-N-CA 121.707 1.605 . . . . 0.0 111.16 -176.904 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . 0.564 ' HB2' ' HD3' ' A' ' 19' ' ' PRO . 93.6 m-85 -96.27 -45.9 0.25 Allowed Pre-proline 0 C--N 1.328 -0.329 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.195 -164.366 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . 0.564 ' HD3' ' HB2' ' A' ' 18' ' ' PHE . 83.0 Cg_exo -50.22 -27.9 18.76 Favored 'Trans proline' 0 N--CA 1.458 -0.608 0 C-N-CA 121.699 1.599 . . . . 0.0 111.221 175.628 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 90.9 mttt -95.01 -60.02 1.77 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.221 178.846 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 25.3 tp -70.78 -37.24 73.31 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.214 -166.643 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 76.2 t -71.88 -38.94 66.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.267 -178.837 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 94.9 p -68.45 -23.02 64.56 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.213 178.613 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 99.4 m -86.88 -39.49 15.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.197 177.626 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -74.62 -20.07 16.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.203 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 89.0 mt -108.38 20.82 18.14 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.221 174.861 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 58.8 p -75.08 159.97 31.05 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.212 177.345 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 99.4 m-20 -65.11 -41.54 94.83 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.229 177.818 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 87.9 tt0 -68.51 -44.66 74.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.188 -177.625 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 68.5 t80 -61.82 -51.01 69.99 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.234 179.693 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 80.7 m -68.73 -29.24 67.62 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.205 -176.065 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 66.9 tt0 -54.61 -45.42 73.65 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.154 177.901 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 94.0 mt-10 -88.22 -27.89 21.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.215 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 42.4 tp -48.88 -48.79 41.89 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.187 177.883 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 8.3 tp -69.26 -20.05 24.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.216 179.838 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 65.2 mt-30 -90.29 -4.99 56.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.185 178.512 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 38.4 m-85 -99.67 -4.31 31.13 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.19 171.539 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 97.76 11.88 48.96 Favored Glycine 0 CA--C 1.523 0.592 0 N-CA-C 111.15 -0.78 . . . . 0.0 111.15 172.719 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 74.6 m-85 -93.16 125.84 37.96 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.82 0.343 . . . . 0.0 111.249 -177.763 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 35.8 m -125.13 -11.66 5.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.174 -175.148 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 82.4 mtt85 -122.97 142.46 50.81 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.201 177.596 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 61.9 tp -141.19 114.91 8.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.234 178.904 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 90.5 mt -103.8 125.02 58.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.248 -177.121 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 41.4 mm -110.61 116.91 53.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.222 -177.068 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 50.9 tt0 -91.73 102.06 14.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.274 179.536 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . 0.454 ' HA ' ' CE2' ' A' ' 18' ' ' PHE . 78.1 m-85 -84.22 148.8 26.53 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.173 178.112 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -84.84 -165.07 39.36 Favored Glycine 0 CA--C 1.524 0.61 0 N-CA-C 111.156 -0.778 . . . . 0.0 111.156 -174.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -79.06 -20.95 47.56 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.739 0.304 . . . . 0.0 111.206 -176.845 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 73.3 m-80 -102.1 8.41 40.77 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.203 179.106 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 97.0 m-85 -129.04 141.39 51.25 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.204 -177.801 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 84.8 p -109.42 163.68 13.19 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.187 179.518 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 19.5 p -85.08 62.0 7.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.137 179.514 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 53.1 mt-10 -112.57 118.93 36.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.193 -179.371 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 93.6 m-85 -109.95 15.22 22.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.163 177.578 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -60.41 -30.03 69.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.248 -176.236 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 86.4 t60 -61.41 -40.52 94.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.16 175.719 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 93.6 mt -88.04 -7.78 56.52 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.224 -172.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 55.8 t -60.61 -30.09 46.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.16 171.886 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 98.7 mm-40 -106.58 -30.0 9.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.193 178.335 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 75.1 mm-40 -89.13 -9.76 49.79 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.151 -175.03 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 90.7 mmt-85 -128.29 -42.47 1.51 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.215 173.375 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 109.23 19.33 8.53 Favored Glycine 0 CA--C 1.523 0.56 0 N-CA-C 111.208 -0.757 . . . . 0.0 111.208 173.196 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -87.86 174.35 44.22 Favored Glycine 0 CA--C 1.523 0.533 0 N-CA-C 111.234 -0.746 . . . . 0.0 111.234 -179.113 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 96.3 mm-40 -110.05 159.94 16.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.831 0.348 . . . . 0.0 111.217 175.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 79.0 ttt-85 -135.42 125.22 25.5 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.21 -174.422 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -146.67 139.86 25.55 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.218 176.515 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' SER . . . . . 0.405 ' HA ' ' HD3' ' A' ' 82' ' ' ARG . 95.6 p -74.66 159.01 32.63 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.24 -172.194 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 54.1 mm-40 -140.02 121.6 15.22 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.185 177.339 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -107.7 99.0 8.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.205 174.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.412 ' HB ' ' HB3' ' A' ' 77' ' ' CYS . 80.3 mt -114.83 134.31 22.46 Favored Pre-proline 0 C--N 1.328 -0.363 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.221 -164.627 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 56.8 Cg_endo -72.81 167.64 26.7 Favored 'Trans proline' 0 N--CA 1.458 -0.603 0 C-N-CA 121.719 1.612 . . . . 0.0 111.248 -176.366 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 50.9 pt -102.92 -7.19 9.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.16 178.627 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 67.4 m-20 -95.06 -29.46 14.58 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.142 -177.038 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 99.6 mm-40 -100.67 -30.03 11.97 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.199 -177.702 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 82.4 m-85 -124.87 -58.95 1.45 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.161 -176.403 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 113.03 42.59 0.91 Allowed Glycine 0 CA--C 1.524 0.649 0 N-CA-C 111.151 -0.78 . . . . 0.0 111.151 -179.088 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' CYS . . . . . 0.412 ' HB3' ' HB ' ' A' ' 70' ' ' ILE . 10.9 t -136.16 179.98 6.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.771 0.319 . . . . 0.0 111.194 -177.057 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -110.19 -159.85 17.6 Favored Glycine 0 CA--C 1.523 0.552 0 N-CA-C 111.202 -0.759 . . . . 0.0 111.202 -172.804 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 58.9 p-10 -114.13 5.36 15.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.814 0.34 . . . . 0.0 111.241 -178.859 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 59.7 p -93.89 -2.38 53.44 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.111 172.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -58.66 129.45 42.14 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.265 177.27 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . 0.405 ' HD3' ' HA ' ' A' ' 67' ' ' SER . 90.0 mmt-85 -128.79 120.72 26.88 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.181 176.914 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 67.0 tt0 -81.51 126.91 32.25 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.241 -176.467 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' TYR . . . . . 0.44 ' HB3' ' HB ' ' A' ' 93' ' ' VAL . 68.9 t80 -125.63 128.71 48.3 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.178 177.04 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 84.3 t -98.55 123.44 51.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.219 -166.68 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 93.4 mt -130.0 162.81 27.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.291 170.618 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 88.3 mmm 61.58 30.01 18.49 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.177 176.202 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 96.5 m-20 65.05 34.41 8.82 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.143 177.222 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 95.36 -3.46 66.21 Favored Glycine 0 CA--C 1.522 0.517 0 N-CA-C 111.183 -0.767 . . . . 0.0 111.183 175.781 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -80.79 -20.82 41.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.767 0.318 . . . . 0.0 111.228 -179.477 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 63.5 tp -116.91 109.94 17.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.208 173.659 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -93.42 109.95 21.51 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.229 177.186 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . 0.44 ' HB ' ' HB3' ' A' ' 84' ' ' TYR . 62.2 t -99.65 119.11 47.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.223 -179.715 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 75.3 mt -112.51 105.98 19.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.168 -178.557 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -93.91 142.49 16.03 Favored Glycine 0 CA--C 1.523 0.559 0 N-CA-C 111.164 -0.774 . . . . 0.0 111.164 175.658 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 27.5 p90 -148.37 161.55 41.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.854 0.359 . . . . 0.0 111.211 178.738 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' ASP . . . . . 0.649 ' O ' ' C ' ' A' ' 98' ' ' PHE . 64.9 t0 -100.04 106.3 18.04 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.263 -179.89 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . 0.649 ' C ' ' O ' ' A' ' 97' ' ' ASP . 82.9 t80 -5.09 99.17 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.149 -175.421 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 66.4 m -120.72 148.45 43.93 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.148 177.144 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 81.0 p -82.95 -18.8 38.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.157 171.638 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -71.05 -39.88 71.99 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.204 174.186 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 102' ' ' MET . . . . . 0.406 ' SD ' ' SG ' ' A' ' 77' ' ' CYS . 25.9 ttt -90.02 83.84 6.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.214 176.948 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 87.5 mm-40 -134.45 -35.04 0.92 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.239 175.749 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 47.5 t -70.1 -49.37 51.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.169 -178.913 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 16.9 tt -60.61 -27.22 40.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.228 -176.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 96.7 mt -71.19 -49.71 46.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.157 176.041 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 96.6 mtt180 -64.97 -29.94 70.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.185 175.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 99.4 m-20 -75.76 -37.13 59.57 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.151 -175.013 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 109' ' ' TYR . . . . . . . . . . . . . 14.2 m-30 -100.0 -50.04 4.12 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.177 -172.533 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 48.2 t -64.99 134.26 53.51 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.224 -171.541 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 54.3 p-10 -130.0 0.98 4.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.128 178.171 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 67.4 tp -147.29 124.95 11.78 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.179 167.719 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 58.2 t -104.61 132.27 51.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.225 -173.427 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 114' ' ' ILE . . . . . 0.457 HG12 ' HB ' ' A' ' 133' ' ' ILE . 82.1 mt -120.77 128.73 76.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.194 176.812 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 91.3 p -143.97 155.0 43.87 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.175 -178.256 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 84.0 t60 -83.76 147.53 27.55 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.158 169.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -69.86 84.93 0.49 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.236 -177.318 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -133.36 173.18 21.22 Favored Glycine 0 CA--C 1.523 0.539 0 N-CA-C 111.271 -0.732 . . . . 0.0 111.271 174.648 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 96.8 m -62.97 -57.73 9.75 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.727 0.299 . . . . 0.0 111.223 -177.071 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -85.03 -25.02 42.2 Favored Glycine 0 CA--C 1.523 0.56 0 N-CA-C 111.207 -0.757 . . . . 0.0 111.207 -178.773 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 73.2 m -64.91 -49.57 69.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.769 0.319 . . . . 0.0 111.15 -178.285 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 122' ' ' ILE . . . . . . . . . . . . . 94.7 mt -64.75 -45.83 93.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.212 176.094 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 36.2 tp -61.54 -38.09 86.17 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.244 -175.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 93.6 m-20 -70.16 -34.99 73.71 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.191 177.381 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 97.4 p -76.86 -13.66 59.97 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.198 178.11 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 91.5 mt -92.14 10.02 31.09 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.192 173.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 76.1 mtp85 -74.38 -14.76 60.91 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.155 171.078 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 8.3 mp -108.42 155.11 20.94 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.192 172.82 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 11.4 m120 -93.57 8.06 42.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.177 177.231 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 30.2 mmtp -80.96 152.28 71.46 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.212 -178.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_exo -50.6 148.1 16.22 Favored 'Trans proline' 0 N--CA 1.459 -0.55 0 C-N-CA 121.731 1.621 . . . . 0.0 111.164 178.461 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 132' ' ' LEU . . . . . 0.532 ' O ' ' HA ' ' A' ' 158' ' ' VAL . 56.7 tp -125.04 125.58 44.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.233 -166.47 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 133' ' ' ILE . . . . . 0.457 ' HB ' HG12 ' A' ' 114' ' ' ILE . 91.7 mt -95.3 124.52 47.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.18 166.815 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 89.5 t -115.49 120.59 65.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.234 -179.762 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 135' ' ' CYS . . . . . 0.544 ' SG ' ' HA ' ' A' ' 163' ' ' PRO . 46.6 t -87.24 110.72 20.38 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.174 171.508 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 27.5 m -63.37 159.76 3.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.144 -168.052 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.16 -175.605 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.777 0.322 . . . . 0.0 111.191 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 95.5 m-20 -69.93 -31.09 68.66 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.207 175.354 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 151' ' ' LYS . . . . . . . . . . . . . 65.5 mmtt -78.58 -30.08 46.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.198 179.63 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 152' ' ' PHE . . . . . . . . . . . . . 13.4 m-30 -55.83 -43.84 77.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.224 175.481 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 153' ' ' VAL . . . . . . . . . . . . . 96.2 t -88.05 -40.21 13.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.237 -177.35 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 42.8 tt0 -53.94 -46.99 71.7 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.17 176.911 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 155' ' ' LEU . . . . . 0.411 ' HB3' ' CD2' ' A' ' 157' ' ' TYR . 91.2 mt -65.19 -36.83 85.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.208 173.315 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . 79.73 36.65 25.21 Favored Glycine 0 CA--C 1.523 0.581 0 N-CA-C 111.15 -0.78 . . . . 0.0 111.15 175.319 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 157' ' ' TYR . . . . . 0.411 ' CD2' ' HB3' ' A' ' 155' ' ' LEU . 22.3 m-85 -126.02 -25.0 3.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.799 0.333 . . . . 0.0 111.215 179.467 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 158' ' ' VAL . . . . . 0.532 ' HA ' ' O ' ' A' ' 132' ' ' LEU . 64.4 t -123.3 140.03 48.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.191 -166.051 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 159' ' ' TRP . . . . . . . . . . . . . 31.3 m-90 -97.69 144.99 26.77 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.205 171.188 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 160' ' ' SER . . . . . . . . . . . . . 41.7 t -105.38 115.33 30.07 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.165 179.56 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 161' ' ' CYS . . . . . . . . . . . . . 71.7 m -117.97 159.22 23.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.151 179.858 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -85.47 155.74 59.53 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.181 -179.648 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 163' ' ' PRO . . . . . 0.544 ' HA ' ' SG ' ' A' ' 135' ' ' CYS . 93.7 Cg_endo -77.73 68.13 7.75 Favored 'Trans proline' 0 N--CA 1.458 -0.6 0 C-N-CA 121.636 1.557 . . . . 0.0 111.248 -179.405 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 164' ' ' THR . . . . . . . . . . . . . 13.6 t -160.56 178.93 9.02 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.199 175.818 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 165' ' ' GLU . . . . . . . . . . . . . 89.2 tt0 -64.97 -43.93 91.0 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.202 -174.652 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 166' ' ' THR . . . . . . . . . . . . . 80.4 p -73.62 -20.07 60.69 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.166 -177.344 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 167' ' ' GLY . . . . . . . . . . . . . . . -71.34 -43.22 55.19 Favored Glycine 0 CA--C 1.523 0.582 0 N-CA-C 111.309 -0.717 . . . . 0.0 111.309 174.854 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 168' ' ' LEU . . . . . . . . . . . . . 69.2 tp -60.38 -46.96 88.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.761 0.315 . . . . 0.0 111.214 172.901 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 97.8 mt -60.78 -39.94 83.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.216 175.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 170' ' ' ALA . . . . . . . . . . . . . . . -71.43 -16.24 62.38 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.218 -178.738 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 171' ' ' GLY . . . . . . . . . . . . . . . -62.33 -47.95 85.9 Favored Glycine 0 CA--C 1.523 0.568 0 N-CA-C 111.231 -0.748 . . . . 0.0 111.231 176.873 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 93.1 mt -70.16 -33.54 71.89 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.777 0.323 . . . . 0.0 111.22 176.456 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 173' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -65.2 -34.45 78.4 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.238 174.051 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -70.84 -41.38 71.57 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.266 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 87.2 p -68.46 -29.87 68.61 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.191 176.355 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 176' ' ' GLN . . . . . . . . . . . . . 71.1 tp60 -71.08 -40.54 71.52 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.168 175.555 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 177' ' ' THR . . . . . . . . . . . . . 89.0 m -70.49 -44.71 67.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.213 179.084 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 178' ' ' GLU . . . . . . . . . . . . . 89.2 tt0 -142.73 109.98 5.65 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.222 -178.047 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 179' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -80.23 140.78 36.1 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.216 179.228 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 180' ' ' LEU . . . . . . . . . . . . . 94.4 mt . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.23 -177.862 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 93.7 mt-10 . . . . . 0 N--CA 1.458 -0.07 0 CA-C-O 120.789 0.328 . . . . 0.0 111.2 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 85.9 mttt -94.62 154.92 17.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.238 168.713 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -128.39 137.63 51.97 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.14 -172.829 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 65.4 mt -103.01 147.6 26.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.234 170.365 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 1.6 t80 -120.02 93.0 3.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.209 172.794 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . 0.413 HG23 ' HB ' ' A' ' 114' ' ' ILE . 64.4 t -94.0 115.32 32.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.159 -179.341 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 52.3 m -107.43 126.02 51.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.148 177.691 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 60.3 m -107.04 162.92 13.42 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.129 177.338 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -85.04 -171.63 48.44 Favored Glycine 0 CA--C 1.523 0.538 0 N-CA-C 111.267 -0.733 . . . . 0.0 111.267 -178.248 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -107.66 18.62 21.2 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.755 0.312 . . . . 0.0 111.192 179.507 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 40.4 p -124.99 -69.54 0.79 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.219 -174.359 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 82.4 t -58.64 130.16 85.09 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.144 -175.668 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 76.0 Cg_exo -51.17 130.49 32.32 Favored 'Trans proline' 0 N--CA 1.458 -0.596 0 C-N-CA 121.734 1.623 . . . . 0.0 111.125 178.456 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . 0.638 ' N ' ' CD ' ' A' ' 19' ' ' PRO . 10.8 m-30 -70.11 -35.98 5.68 Favored Pre-proline 0 C--N 1.33 -0.259 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.193 176.834 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . 0.638 ' CD ' ' N ' ' A' ' 18' ' ' PHE . 72.0 Cg_exo -53.86 -16.83 9.36 Favored 'Trans proline' 0 N--CA 1.458 -0.583 0 C-N-CA 121.695 1.597 . . . . 0.0 111.206 175.138 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -94.46 -31.55 13.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.218 173.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 94.5 mt -95.97 -62.64 1.25 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.288 -171.721 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 5.7 m -79.29 -15.92 13.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.184 -169.013 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 82.9 p -60.97 -28.98 69.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.166 174.485 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 71.8 m -87.97 -30.08 20.29 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.155 175.673 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 78.5 t -65.31 -26.6 39.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.211 171.564 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 86.2 mt -104.99 27.27 8.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.2 175.805 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 4.9 t -65.45 147.56 53.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.219 179.748 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 68.6 m-20 -68.55 -22.05 64.51 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.165 175.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -93.03 -35.39 13.28 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.24 178.551 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 91.5 t80 -58.53 -49.69 76.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.209 173.453 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 96.6 m -64.91 -33.01 75.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.198 -176.038 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 65.7 tt0 -63.16 -58.03 8.58 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.226 176.71 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 69.6 mm-40 -62.49 -33.65 75.3 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.173 177.615 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 37.8 tp -57.25 -48.35 79.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.183 179.308 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 94.0 mt -60.93 -38.42 79.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.196 176.527 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 99.5 mm-40 -66.94 -19.75 65.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.253 178.892 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 23.2 m-30 -87.32 -10.43 52.27 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.215 178.401 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 99.33 6.04 55.55 Favored Glycine 0 CA--C 1.523 0.577 0 N-CA-C 111.15 -0.78 . . . . 0.0 111.15 179.446 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 72.3 m-85 -98.15 123.8 42.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.863 0.363 . . . . 0.0 111.15 -176.258 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 35.7 m -132.89 -6.82 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.17 -178.858 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 94.5 mtt-85 -110.08 98.88 8.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.181 177.134 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.404 ' HB3' HG23 ' A' ' 93' ' ' VAL . 58.0 tp -101.12 106.84 18.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.228 -176.647 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 96.8 mt -96.38 132.26 41.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.181 175.89 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 78.0 mt -128.6 125.27 63.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.203 174.882 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 65.7 tt0 -94.35 120.77 35.09 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.175 178.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 42.5 m-85 -75.04 162.06 28.89 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.183 -179.271 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -93.8 178.56 37.9 Favored Glycine 0 CA--C 1.525 0.658 0 N-CA-C 111.144 -0.782 . . . . 0.0 111.144 179.857 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 79.8 ttt180 -68.87 -33.57 74.01 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.777 0.322 . . . . 0.0 111.191 -177.378 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 73.0 m-80 -100.86 17.17 22.86 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.157 -172.385 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 95.5 m-85 -129.62 139.98 51.29 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.211 -177.845 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 97.8 p -78.9 152.73 31.0 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.195 179.648 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 59.2 p -84.96 66.79 9.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.239 -173.028 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 19.8 pt-20 -150.04 145.54 26.45 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.145 -179.368 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 68.2 m-85 -116.45 26.35 9.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.151 169.756 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -51.22 -46.0 62.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.263 -171.726 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 83.5 t60 -63.56 -54.97 27.78 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.172 -176.215 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 90.1 mt -70.6 -38.31 73.98 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.173 -170.775 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 54.9 t -69.22 -44.46 80.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.171 -177.413 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 86.8 mt-30 -64.99 -33.75 76.79 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.218 175.04 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -66.24 -40.06 89.95 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.215 174.825 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 39.5 mmt180 -76.25 -21.38 56.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.202 -179.771 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 94.63 30.97 8.12 Favored Glycine 0 CA--C 1.523 0.574 0 N-CA-C 111.207 -0.757 . . . . 0.0 111.207 175.11 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -95.02 -165.01 35.34 Favored Glycine 0 CA--C 1.523 0.589 0 N-CA-C 111.19 -0.764 . . . . 0.0 111.19 178.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 61.4 tp60 -127.48 119.91 27.15 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.724 0.297 . . . . 0.0 111.232 -179.887 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 55.5 ptt85 -75.0 144.98 42.85 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.177 179.757 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 19.6 mm-40 -138.34 82.24 1.9 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.227 175.33 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 26.1 t -64.53 106.36 1.14 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.151 177.435 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 85.3 mm-40 -120.3 179.91 4.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.177 -173.69 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -121.75 90.24 3.27 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.274 179.837 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 28.5 mm -62.76 129.81 93.28 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.201 178.667 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 67.4 Cg_endo -77.6 146.38 24.1 Favored 'Trans proline' 0 N--CA 1.458 -0.588 0 C-N-CA 121.781 1.654 . . . . 0.0 111.192 -175.511 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 96.7 mt -86.84 -40.1 13.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.212 176.676 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 99.4 m-20 -71.69 -39.48 70.19 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.222 -178.317 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 88.8 mt-30 -88.77 -49.94 6.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.178 -172.541 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 74.0 t80 -91.19 -56.0 3.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.233 -177.174 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 119.61 28.25 1.97 Allowed Glycine 0 CA--C 1.523 0.591 0 N-CA-C 111.173 -0.771 . . . . 0.0 111.173 174.772 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 15.7 t -146.55 165.57 29.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.862 0.363 . . . . 0.0 111.158 175.435 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -72.42 171.44 49.28 Favored Glycine 0 CA--C 1.524 0.596 0 N-CA-C 111.23 -0.748 . . . . 0.0 111.23 -174.598 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 58.2 p-10 -94.14 12.01 28.03 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.774 0.321 . . . . 0.0 111.207 -172.382 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 82.6 p -84.56 -13.52 51.54 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.19 174.859 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -66.56 146.09 54.89 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.193 175.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 77.9 mtt85 -127.41 149.18 50.2 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.178 -174.831 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 79.2 mt-30 -104.73 150.14 25.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.169 178.15 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 97.0 m-85 -142.67 146.29 34.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.225 -179.779 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 99.2 t -113.25 118.62 58.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.214 -176.734 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 94.3 mt -119.73 164.11 16.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.253 175.585 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 88.8 mmm 62.35 29.94 17.34 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.193 173.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 96.4 m-20 64.7 34.95 9.24 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.207 174.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 98.12 -3.72 60.32 Favored Glycine 0 CA--C 1.523 0.591 0 N-CA-C 111.236 -0.746 . . . . 0.0 111.236 174.579 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -80.55 -25.48 38.58 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.869 0.366 . . . . 0.0 111.251 -177.882 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 62.6 tp -122.84 124.56 43.55 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.26 178.755 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -105.03 114.99 29.52 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.178 177.147 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . 0.404 HG23 ' HB3' ' A' ' 42' ' ' LEU . 58.5 t -110.26 121.36 62.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.175 -177.352 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 68.5 mt -124.89 128.86 73.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.224 -179.425 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -111.65 133.28 11.37 Favored Glycine 0 CA--C 1.523 0.562 0 N-CA-C 111.254 -0.738 . . . . 0.0 111.254 -177.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 99.0 m-85 -116.36 159.64 21.65 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.736 0.303 . . . . 0.0 111.243 -172.527 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 10.0 t0 -75.0 170.04 16.79 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.229 -175.42 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 89.4 t80 -82.92 118.07 23.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.197 -177.852 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 12.6 t -171.88 138.46 1.06 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.201 176.826 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 81.7 p -80.88 -14.66 57.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.211 174.498 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -84.56 -31.97 24.07 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.18 175.215 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 66.2 mtt -74.69 -44.83 48.16 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.155 179.284 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 103' ' ' GLN . . . . . 0.478 ' HA ' ' HB ' ' A' ' 106' ' ' ILE . 20.6 pt20 -69.92 -19.89 63.37 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.234 -172.711 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 60.6 p -66.8 -20.69 65.99 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.161 177.558 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 95.1 mt -104.17 -38.75 5.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.219 175.332 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . 0.478 ' HB ' ' HA ' ' A' ' 103' ' ' GLN . 94.9 mt -56.17 -35.3 41.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.219 177.203 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 107' ' ' ARG . . . . . 0.415 ' HB2' HD11 ' A' ' 128' ' ' LEU . 35.9 ptt180 -62.64 -20.08 64.44 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.136 -178.639 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 97.2 m-20 -77.46 -8.95 58.55 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.176 -178.793 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 109' ' ' TYR . . . . . . . . . . . . . 59.0 m-85 -110.13 40.88 1.84 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.123 179.803 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 87.4 p -143.11 154.99 44.49 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.163 -174.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 55.8 m-20 -113.6 -32.77 6.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.169 176.549 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . 0.443 ' C ' HD21 ' A' ' 112' ' ' LEU . 10.5 tt -135.38 133.41 38.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.198 177.373 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 95.9 t -104.87 133.12 49.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.205 -170.501 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 114' ' ' ILE . . . . . 0.413 ' HB ' HG23 ' A' ' 10' ' ' VAL . 89.6 mt -124.47 135.21 64.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.261 -177.362 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 36.9 t -123.79 141.54 51.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.199 -178.311 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 97.9 m-70 -107.04 83.8 1.88 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.152 167.846 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . 55.04 53.86 9.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.202 -177.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -137.21 150.53 20.71 Favored Glycine 0 CA--C 1.523 0.568 0 N-CA-C 111.219 -0.753 . . . . 0.0 111.219 175.141 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 82.2 p -106.2 -26.95 11.35 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.79 0.328 . . . . 0.0 111.213 -171.07 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -64.88 -39.01 96.23 Favored Glycine 0 CA--C 1.523 0.563 0 N-CA-C 111.19 -0.764 . . . . 0.0 111.19 176.308 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 48.5 t -65.33 -39.53 92.52 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.791 0.329 . . . . 0.0 111.175 176.463 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 122' ' ' ILE . . . . . . . . . . . . . 93.7 mt -60.64 -44.99 98.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.224 176.691 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 56.7 tp -59.18 -43.17 92.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.208 177.301 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 97.6 m-20 -59.47 -45.14 92.5 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.12 177.235 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 22.7 t -60.15 -41.98 93.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.251 -179.812 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 96.2 mt -74.21 -31.57 62.67 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.167 -176.786 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -72.74 -30.09 63.88 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.237 175.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 128' ' ' LEU . . . . . 0.415 HD11 ' HB2' ' A' ' 107' ' ' ARG . 96.0 mt -83.79 -17.68 40.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.221 175.285 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 79.0 m-20 65.22 36.06 7.34 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.172 -174.905 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 41.2 mmtm -111.56 159.98 31.17 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.236 -178.104 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 68.4 Cg_exo -57.52 145.23 89.74 Favored 'Trans proline' 0 N--CA 1.458 -0.564 0 C-N-CA 121.724 1.616 . . . . 0.0 111.141 -176.388 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 49.0 tp -120.72 119.7 33.53 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.176 -175.848 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 85.4 mt -120.35 127.66 75.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.233 177.587 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 96.8 t -114.92 126.07 72.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.239 177.524 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 135' ' ' CYS . . . . . . . . . . . . . 53.9 t -119.12 125.29 48.92 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.257 -179.484 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 32.8 m -86.33 171.96 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.22 -170.445 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 18.7 p-10 . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.245 -174.404 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.766 0.317 . . . . 0.0 111.164 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 96.2 m-20 -56.99 -32.2 65.86 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.196 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 151' ' ' LYS . . . . . . . . . . . . . 59.6 mmtt -95.38 -29.94 14.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.176 -175.829 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 152' ' ' PHE . . . . . . . . . . . . . 7.1 m-30 -68.07 -27.56 66.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.145 174.883 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 153' ' ' VAL . . . . . . . . . . . . . 53.5 t -70.72 -39.41 75.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.161 171.198 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 92.5 mt-10 -62.79 -35.26 79.27 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.202 174.763 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 155' ' ' LEU . . . . . . . . . . . . . 84.7 mt -64.98 -49.96 68.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.133 173.289 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . 80.05 19.33 70.11 Favored Glycine 0 CA--C 1.523 0.591 0 N-CA-C 111.176 -0.769 . . . . 0.0 111.176 168.146 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 157' ' ' TYR . . . . . . . . . . . . . 26.2 p90 -140.07 9.59 2.34 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.784 0.326 . . . . 0.0 111.2 176.284 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 158' ' ' VAL . . . . . . . . . . . . . 7.6 p -147.81 135.0 13.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.254 -176.537 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 159' ' ' TRP . . . . . . . . . . . . . 91.7 m95 -98.14 150.12 21.79 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.22 176.719 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 160' ' ' SER . . . . . . . . . . . . . 31.2 t -111.59 126.61 55.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.22 176.904 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 161' ' ' CYS . . . . . 0.417 ' SG ' ' HA3' ' A' ' 171' ' ' GLY . 91.2 m -115.18 145.01 42.82 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.212 177.327 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -75.26 158.43 83.88 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.229 177.669 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 163' ' ' PRO . . . . . . . . . . . . . 88.7 Cg_endo -78.99 61.35 8.13 Favored 'Trans proline' 0 N--CA 1.458 -0.581 0 C-N-CA 121.694 1.596 . . . . 0.0 111.226 -178.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 164' ' ' THR . . . . . . . . . . . . . 28.0 p -133.29 -175.36 3.78 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.18 177.278 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 165' ' ' GLU . . . . . . . . . . . . . 89.2 mt-10 -87.59 7.92 27.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.172 173.004 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 166' ' ' THR . . . . . . . . . . . . . 82.0 p -125.55 -19.62 4.94 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.235 -178.75 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 167' ' ' GLY . . . . . . . . . . . . . . . -62.84 -47.73 86.64 Favored Glycine 0 CA--C 1.523 0.541 0 N-CA-C 111.172 -0.771 . . . . 0.0 111.172 -177.767 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 168' ' ' LEU . . . . . . . . . . . . . 25.0 tp -67.26 -32.54 73.61 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.744 0.307 . . . . 0.0 111.206 -179.599 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 96.3 mt -61.08 -44.37 98.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.262 174.24 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 170' ' ' ALA . . . . . . . . . . . . . . . -61.97 -37.69 85.71 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.271 177.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 171' ' ' GLY . . . . . 0.417 ' HA3' ' SG ' ' A' ' 161' ' ' CYS . . . -63.97 -41.23 98.71 Favored Glycine 0 CA--C 1.524 0.607 0 N-CA-C 111.162 -0.775 . . . . 0.0 111.162 178.353 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 83.1 mt -63.78 -35.39 80.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.789 0.328 . . . . 0.0 111.187 178.667 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 173' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -70.0 -37.78 75.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.193 173.817 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -64.94 -36.04 83.11 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.2 -178.453 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 52.3 p -64.99 -21.49 66.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.184 179.89 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 176' ' ' GLN . . . . . . . . . . . . . 93.3 mm-40 -100.74 -25.84 13.99 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.239 -178.581 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 177' ' ' THR . . . . . . . . . . . . . 99.4 m -71.95 -46.02 59.01 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.2 179.143 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 178' ' ' GLU . . . . . . . . . . . . . 94.0 mt-10 -127.42 159.9 33.07 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.181 -177.544 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 179' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -94.91 159.85 14.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.167 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 180' ' ' LEU . . . . . . . . . . . . . 96.2 mt . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.223 179.705 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 95.5 mt-10 . . . . . 0 CA--C 1.523 -0.088 0 CA-C-O 120.822 0.344 . . . . 0.0 111.185 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . 0.472 ' HB2' ' HA ' ' A' ' 39' ' ' PHE . 97.0 mttt -69.27 148.64 49.49 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.193 174.465 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -114.21 130.1 56.63 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.178 -168.642 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 93.2 mt -89.65 145.36 25.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.164 167.158 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 1.2 t80 -120.1 91.29 3.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.173 171.778 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 85.4 t -97.24 129.74 46.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.166 -174.061 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 47.1 p -117.45 160.01 21.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.236 173.137 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 77.3 m -127.38 154.58 44.82 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.188 -175.878 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -132.59 -158.68 8.98 Favored Glycine 0 CA--C 1.523 0.589 0 N-CA-C 111.198 -0.761 . . . . 0.0 111.198 -179.593 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -94.78 -36.14 11.81 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.768 0.318 . . . . 0.0 111.198 -173.82 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 94.1 m -59.91 -54.79 41.96 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.233 -172.155 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.435 ' HA ' ' HD3' ' A' ' 17' ' ' PRO . 67.5 t -91.83 128.97 43.86 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.169 177.751 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . 0.435 ' HD3' ' HA ' ' A' ' 16' ' ' VAL . 83.4 Cg_exo -52.53 137.14 57.87 Favored 'Trans proline' 0 N--CA 1.459 -0.547 0 C-N-CA 121.69 1.593 . . . . 0.0 111.139 -178.807 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . 0.548 ' HB3' ' HD3' ' A' ' 19' ' ' PRO . 86.4 t80 -61.87 -44.4 90.28 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.218 -178.311 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . 0.548 ' HD3' ' HB3' ' A' ' 18' ' ' PHE . 71.7 Cg_exo -53.55 -39.85 81.14 Favored 'Trans proline' 0 N--CA 1.458 -0.577 0 C-N-CA 121.68 1.587 . . . . 0.0 111.167 178.894 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -72.41 -40.26 67.31 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.182 -179.645 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 80.8 mt -59.33 -42.95 92.65 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.174 179.671 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 72.4 t -75.7 -38.27 37.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.19 -179.818 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 45.7 t -59.65 -39.91 85.95 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.27 179.812 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 60.8 m -68.5 -45.03 73.39 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.167 -176.088 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 33.7 m -73.88 -19.09 17.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.212 -178.144 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 69.7 mt -105.09 15.55 27.38 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.205 176.21 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 54.6 p -73.93 154.22 39.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.183 -178.415 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 99.8 m-20 -65.6 -35.17 80.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.144 178.85 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 78.0 mm-40 -74.3 -42.7 59.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.183 -176.182 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 84.1 t80 -68.35 -47.5 67.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.176 -179.636 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.404 ' HA ' ' HB3' ' A' ' 34' ' ' LEU . 95.0 m -66.38 -30.37 70.74 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.167 -177.468 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 66.9 tt0 -53.08 -50.23 64.8 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.198 -178.411 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 94.8 mt-10 -85.94 -27.86 24.66 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.252 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.418 ' HG ' ' HB2' ' A' ' 39' ' ' PHE . 47.8 tp -54.93 -45.02 74.75 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.159 -179.224 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 41.5 pt -78.36 -10.67 13.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.222 -177.727 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 65.0 mt-30 -91.04 -19.74 22.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.211 174.823 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 42.5 m-85 -78.7 -25.9 44.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.167 172.024 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 117.78 14.66 6.64 Favored Glycine 0 CA--C 1.523 0.54 0 N-CA-C 111.217 -0.753 . . . . 0.0 111.217 175.775 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.472 ' HA ' ' HB2' ' A' ' 6' ' ' LYS . 71.5 m-85 -93.31 129.77 39.29 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.759 0.314 . . . . 0.0 111.199 -179.678 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.523 ' O ' HG12 ' A' ' 40' ' ' VAL . 70.3 t -136.94 -10.08 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.2 -177.685 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 78.0 mtm180 -115.13 132.43 56.61 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.212 177.018 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 40.5 tp -128.72 109.73 11.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.224 179.506 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.4 ' HA ' ' O ' ' A' ' 94' ' ' ILE . 4.5 mp -100.58 117.4 45.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.185 -179.027 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 69.8 mt -116.69 126.0 73.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.173 -174.627 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 12.1 tp-100 -86.91 120.04 27.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.216 176.259 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 54.0 p90 -159.29 169.35 24.24 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.161 176.245 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -75.7 -176.54 40.11 Favored Glycine 0 CA--C 1.524 0.594 0 N-CA-C 111.194 -0.762 . . . . 0.0 111.194 -171.215 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 79.1 ttt180 -84.96 -70.02 0.61 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.739 0.304 . . . . 0.0 111.267 -174.062 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 72.9 m-80 -112.31 14.65 20.47 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.176 -176.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 82.1 m-85 -119.65 -5.05 10.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.17 -176.596 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 13.1 m -136.19 9.95 3.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.225 -176.882 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 75.2 m -72.75 70.01 0.94 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.176 177.699 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 74.7 mm-40 -97.46 3.07 50.92 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.228 179.51 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 65.6 m-85 -75.04 -13.02 60.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.22 -177.134 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 25.2 pt-20 -72.69 -9.63 58.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.177 171.199 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 98.3 m-70 -116.72 -13.76 10.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.213 177.012 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 89.2 mt -112.01 -21.41 11.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.205 -174.026 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 95.6 t -115.39 -52.83 4.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.204 177.513 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 33.4 tt0 -62.15 -43.06 99.67 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.215 -177.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 94.5 mt-10 -74.9 -29.34 60.96 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.198 176.44 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 53.8 tpt85 -63.21 -30.91 71.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.215 175.847 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 110.66 17.63 9.04 Favored Glycine 0 CA--C 1.523 0.534 0 N-CA-C 111.203 -0.759 . . . . 0.0 111.203 176.549 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -94.99 -169.14 36.46 Favored Glycine 0 CA--C 1.523 0.577 0 N-CA-C 111.191 -0.763 . . . . 0.0 111.191 179.094 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . 0.41 ' HB2' ' HB ' ' A' ' 85' ' ' VAL . 96.2 mm-40 -114.97 169.77 8.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.735 0.302 . . . . 0.0 111.184 177.567 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -162.0 144.8 11.7 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.216 -176.606 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 38.0 tt0 -168.77 144.85 3.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.135 -179.723 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 38.0 t -79.51 136.44 36.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.192 176.162 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 91.4 mm-40 -126.88 151.71 48.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.249 -175.168 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . 0.432 ' HA ' ' HA ' ' A' ' 79' ' ' ASP . 98.7 mttt -119.06 105.0 10.98 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.178 172.87 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.467 ' HA ' ' HD3' ' A' ' 71' ' ' PRO . 72.3 mt -112.55 132.48 22.18 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.224 -170.099 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . 0.467 ' HD3' ' HA ' ' A' ' 70' ' ' ILE . 53.9 Cg_exo -55.07 127.16 25.12 Favored 'Trans proline' 0 N--CA 1.458 -0.61 0 C-N-CA 121.702 1.601 . . . . 0.0 111.191 177.483 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 92.9 mt -70.32 -40.68 78.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.166 175.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 99.6 m-20 -69.88 -21.92 63.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.216 -173.094 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 98.8 mm-40 -99.97 -39.85 7.94 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.15 -174.555 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 92.4 m-85 -118.04 -40.22 3.0 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.211 -173.291 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 108.47 -4.96 33.08 Favored Glycine 0 CA--C 1.524 0.621 0 N-CA-C 111.179 -0.769 . . . . 0.0 111.179 179.682 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 79.2 m -87.72 157.43 19.07 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.809 0.337 . . . . 0.0 111.145 173.715 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -95.09 -165.24 35.31 Favored Glycine 0 CA--C 1.523 0.583 0 N-CA-C 111.216 -0.753 . . . . 0.0 111.216 -175.495 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . 0.432 ' HA ' ' HA ' ' A' ' 69' ' ' LYS . 55.1 p-10 -100.5 10.48 41.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.829 0.347 . . . . 0.0 111.225 -178.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 58.7 p -117.99 32.28 6.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.216 175.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -72.67 136.78 45.7 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.21 -175.503 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 32.7 mmm-85 -110.02 102.3 11.04 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.263 176.826 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 32.8 tt0 -88.97 134.17 34.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.201 -173.317 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' TYR . . . . . 0.491 ' HB2' ' HB ' ' A' ' 93' ' ' VAL . 40.2 m-85 -132.95 141.41 48.32 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.188 173.721 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . 0.41 ' HB ' ' HB2' ' A' ' 64' ' ' GLN . 68.8 t -116.95 114.06 44.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.208 -173.473 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 87.2 mt -129.49 172.27 11.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.194 177.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 95.6 mmm 60.36 30.11 19.55 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.173 177.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 96.4 m-20 64.91 32.08 10.96 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.203 178.532 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 95.05 -2.33 65.91 Favored Glycine 0 CA--C 1.522 0.53 0 N-CA-C 111.218 -0.753 . . . . 0.0 111.218 177.112 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 99.7 mttt -81.28 -16.95 51.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.777 0.322 . . . . 0.0 111.203 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 62.1 tp -118.37 109.28 16.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.175 174.386 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 96.5 mttt -101.18 102.61 13.56 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.249 178.874 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . 0.491 ' HB ' ' HB2' ' A' ' 84' ' ' TYR . 60.2 t -97.55 128.45 48.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.177 -175.806 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . 0.4 ' O ' ' HA ' ' A' ' 43' ' ' ILE . 71.8 mt -124.52 121.58 61.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.179 177.405 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -100.16 146.97 17.95 Favored Glycine 0 CA--C 1.524 0.622 0 N-CA-C 111.172 -0.771 . . . . 0.0 111.172 -179.039 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 80.3 m-85 -133.25 148.42 51.98 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.825 0.345 . . . . 0.0 111.202 173.457 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 64.4 t0 -111.21 80.44 1.31 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.204 163.283 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 7.9 m-30 -110.08 139.73 44.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.135 -168.549 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 86.8 p -79.52 170.0 17.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.177 165.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 97.6 m -47.42 -45.07 25.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.227 -174.618 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -66.19 -32.48 73.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.199 -178.397 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 96.7 mmm -85.73 -12.36 51.3 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.195 -177.789 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 80.4 mt-30 -84.38 -14.9 48.18 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.223 178.726 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 87.2 p -68.25 -19.4 64.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.235 -176.892 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 48.0 pt -94.19 -7.99 9.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.233 -177.476 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 46.3 pt -115.6 0.02 8.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.258 175.131 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 70.5 mtt180 -67.92 -42.51 80.95 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.238 167.825 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 57.4 p-10 -89.43 4.82 47.83 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.223 178.564 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 109' ' ' TYR . . . . . . . . . . . . . 41.5 t80 -101.55 40.0 1.37 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.252 175.128 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 87.3 p -145.78 155.04 42.68 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.148 -171.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 55.4 m-20 -120.0 -35.03 3.57 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.215 172.011 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 53.3 tp -131.62 119.93 22.13 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.172 175.764 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 96.9 t -96.39 130.83 44.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.184 -176.425 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 76.2 mt -121.6 102.62 12.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.151 179.279 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 63.0 m -109.92 135.82 50.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.12 -166.052 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 65.8 t-80 -69.98 140.04 52.89 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.205 173.161 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . 0.425 ' HA ' HD12 ' A' ' 122' ' ' ILE . . . -54.15 133.43 44.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.197 178.736 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 85.06 37.51 9.96 Favored Glycine 0 CA--C 1.524 0.611 0 N-CA-C 111.161 -0.776 . . . . 0.0 111.161 174.262 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 70.5 p -126.49 169.79 12.67 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.794 0.331 . . . . 0.0 111.217 175.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -84.87 -18.99 60.3 Favored Glycine 0 CA--C 1.524 0.6 0 N-CA-C 111.189 -0.764 . . . . 0.0 111.189 175.687 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 85.0 p -65.88 -24.8 66.93 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.77 0.319 . . . . 0.0 111.138 178.744 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 122' ' ' ILE . . . . . 0.425 HD12 ' HA ' ' A' ' 117' ' ' ALA . 83.8 mt -60.01 -40.02 81.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.239 171.539 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 79.4 mt -85.93 -19.08 31.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.188 -177.216 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 80.3 m-20 -67.71 -48.9 65.22 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.224 177.386 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 8.5 t -57.96 -34.2 69.67 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.154 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 97.4 mt -63.19 -43.26 98.7 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.227 174.705 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 89.9 mtm180 -72.91 -21.35 60.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.133 178.339 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 90.9 mt -84.78 -14.58 47.73 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.177 176.692 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 55.5 t30 60.83 36.39 19.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.19 -173.216 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -113.97 148.39 39.84 Favored Pre-proline 0 C--N 1.328 -0.364 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.152 -178.269 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 75.8 Cg_exo -53.17 138.7 63.4 Favored 'Trans proline' 0 N--CA 1.458 -0.576 0 C-N-CA 121.675 1.583 . . . . 0.0 111.174 179.663 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 132' ' ' LEU . . . . . 0.457 ' HB3' HG23 ' A' ' 158' ' ' VAL . 61.2 tp -132.13 120.07 21.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.194 -172.532 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 81.5 mt -97.69 120.11 46.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.195 166.709 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 88.6 t -99.58 113.23 34.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.161 -178.549 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 135' ' ' CYS . . . . . . . . . . . . . 87.5 m -86.3 105.0 16.35 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.163 -179.182 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 34.3 m -100.09 172.66 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.251 -175.66 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 54.6 t-20 . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.213 -178.814 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.853 0.359 . . . . 0.0 111.193 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 87.9 m-20 -56.3 -33.51 65.61 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.16 -176.358 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 151' ' ' LYS . . . . . . . . . . . . . 44.2 mmtt -84.73 -30.0 25.08 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.22 177.644 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 152' ' ' PHE . . . . . . . . . . . . . 6.9 m-30 -69.99 -22.02 63.17 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.192 175.374 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 153' ' ' VAL . . . . . . . . . . . . . 43.5 t -63.33 -30.1 48.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.261 173.863 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -65.71 -21.31 66.52 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.205 176.91 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 155' ' ' LEU . . . . . . . . . . . . . 50.8 mt -75.02 -28.76 60.61 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.138 178.685 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . 109.23 -26.03 16.34 Favored Glycine 0 CA--C 1.522 0.523 0 N-CA-C 111.231 -0.748 . . . . 0.0 111.231 167.522 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 157' ' ' TYR . . . . . 0.404 ' HA ' HD23 ' A' ' 180' ' ' LEU . 37.9 p90 -149.9 24.75 0.84 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.772 0.32 . . . . 0.0 111.211 -171.233 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 158' ' ' VAL . . . . . 0.457 HG23 ' HB3' ' A' ' 132' ' ' LEU . 45.5 t -126.46 129.91 71.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.204 -176.358 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 159' ' ' TRP . . . . . . . . . . . . . 90.8 m95 -130.51 140.36 50.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.207 178.13 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 160' ' ' SER . . . . . . . . . . . . . 28.8 t -104.77 142.06 35.39 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.166 178.706 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 161' ' ' CYS . . . . . . . . . . . . . 29.7 p -164.99 165.06 20.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.182 175.396 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -75.57 137.87 70.7 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.182 170.857 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 163' ' ' PRO . . . . . . . . . . . . . 94.7 Cg_endo -76.4 69.93 6.41 Favored 'Trans proline' 0 N--CA 1.458 -0.597 0 C-N-CA 121.708 1.605 . . . . 0.0 111.223 178.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 164' ' ' THR . . . . . . . . . . . . . 24.3 p -120.62 -174.18 2.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.203 179.844 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 165' ' ' GLU . . . . . . . . . . . . . 25.2 pt-20 -70.01 -9.94 56.95 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.216 177.064 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 166' ' ' THR . . . . . . . . . . . . . 74.0 p -114.79 -42.15 3.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.238 -178.519 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 167' ' ' GLY . . . . . . . . . . . . . . . -76.31 -40.66 28.04 Favored Glycine 0 CA--C 1.524 0.594 0 N-CA-C 111.226 -0.75 . . . . 0.0 111.226 -173.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 168' ' ' LEU . . . . . . . . . . . . . 62.6 tp -64.03 -50.49 68.24 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.799 0.333 . . . . 0.0 111.203 -178.049 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 10.1 tp -66.55 -29.67 47.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.293 179.684 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 170' ' ' ALA . . . . . . . . . . . . . . . -65.41 -37.23 86.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.175 173.662 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 171' ' ' GLY . . . . . . . . . . . . . . . -65.01 -43.4 95.92 Favored Glycine 0 CA--C 1.523 0.585 0 N-CA-C 111.219 -0.752 . . . . 0.0 111.219 175.063 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 56.8 tp -60.38 -42.83 96.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.79 0.328 . . . . 0.0 111.186 176.434 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 173' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -62.14 -41.21 98.04 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.187 173.92 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -70.74 -25.04 62.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.163 -175.399 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 54.6 p -90.0 -34.3 16.04 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.183 -179.102 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 176' ' ' GLN . . . . . . . . . . . . . 93.7 mm-40 -102.11 -52.28 3.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.197 -171.539 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 177' ' ' THR . . . . . . . . . . . . . 85.4 m -73.99 -45.2 51.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.194 -176.712 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 178' ' ' GLU . . . . . . . . . . . . . 78.5 mm-40 -80.03 134.02 36.19 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.176 175.515 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 179' ' ' LYS . . . . . . . . . . . . . 88.6 tttt -67.11 130.09 42.0 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.208 -175.75 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 180' ' ' LEU . . . . . 0.404 HD23 ' HA ' ' A' ' 157' ' ' TYR . 58.0 mt . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.22 174.518 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 . . . . . 0 CA--C 1.523 -0.094 0 CA-C-O 120.778 0.323 . . . . 0.0 111.249 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 75.3 mmtt -90.43 160.75 15.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.209 -171.283 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -125.73 140.82 52.37 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.243 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 39.4 tp -113.98 119.01 35.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.196 -179.872 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 69.6 t80 -89.87 121.18 31.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.24 177.499 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 73.3 t -120.42 124.65 72.97 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.27 178.66 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' THR . . . . . 0.426 ' HA ' ' HB3' ' A' ' 45' ' ' GLN . 77.1 m -93.6 129.31 39.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.209 174.464 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 80.7 m -115.03 113.71 24.43 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.159 170.275 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -91.26 -177.27 43.31 Favored Glycine 0 CA--C 1.524 0.632 0 N-CA-C 111.2 -0.76 . . . . 0.0 111.2 -171.371 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -85.47 52.84 2.56 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.779 0.323 . . . . 0.0 111.176 -174.348 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 37.5 p -129.96 -83.75 0.55 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.197 176.916 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 95.7 t -71.83 128.75 89.1 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.261 -174.454 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 76.0 Cg_exo -50.1 132.47 33.24 Favored 'Trans proline' 0 N--CA 1.458 -0.589 0 C-N-CA 121.757 1.638 . . . . 0.0 111.201 177.505 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . 0.605 ' N ' ' CD ' ' A' ' 19' ' ' PRO . 9.8 m-30 -67.56 -38.7 16.14 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.152 -176.896 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . 0.605 ' CD ' ' N ' ' A' ' 18' ' ' PHE . 57.5 Cg_exo -53.4 -22.76 21.97 Favored 'Trans proline' 0 N--CA 1.459 -0.534 0 C-N-CA 121.639 1.559 . . . . 0.0 111.203 174.257 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -97.86 -43.58 7.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.198 174.709 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 67.2 tp -77.46 -59.29 2.84 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.213 -174.483 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 73.7 t -61.63 -32.05 52.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.265 -176.891 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 94.9 p -63.05 -26.58 68.91 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.21 -179.207 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 98.4 m -85.01 -23.55 28.61 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.226 175.66 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 68.8 t -74.15 -29.14 24.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.163 170.673 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 91.7 mt -91.95 -2.38 56.8 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.201 -178.526 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 66.3 p -65.13 157.54 28.36 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.248 -173.209 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 99.6 m-20 -65.43 -39.4 92.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.235 178.141 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -70.46 -39.07 74.5 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.19 -176.268 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 83.5 t80 -59.05 -45.74 90.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.177 176.702 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.402 ' SG ' HD23 ' A' ' 91' ' ' LEU . 74.1 m -85.47 -15.57 42.47 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.147 -176.614 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 65.6 tt0 -61.15 -32.84 72.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.167 172.783 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 78.6 mm-40 -77.21 -37.82 52.62 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.2 174.907 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 78.9 mt -63.5 -37.17 86.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.135 -174.914 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 46.3 pt -71.8 -10.09 13.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.26 179.256 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 64.6 mt-30 -96.12 -5.57 40.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.2 173.585 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 50.4 m-85 -112.36 -6.49 14.03 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.17 175.533 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 89.35 21.85 39.71 Favored Glycine 0 CA--C 1.523 0.549 0 N-CA-C 111.193 -0.763 . . . . 0.0 111.193 175.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 34.1 m-85 -97.24 130.93 44.4 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.83 0.347 . . . . 0.0 111.222 179.298 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 87.5 t -124.76 -33.95 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.187 -177.148 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 73.8 mtm-85 -99.94 129.33 46.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.227 -173.509 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 54.6 mt -108.81 138.01 45.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.209 174.792 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 77.3 mt -124.13 106.18 16.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.183 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 92.7 mt -100.42 114.2 38.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.237 -172.14 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . 0.426 ' HB3' ' HA ' ' A' ' 11' ' ' THR . 51.2 tt0 -82.27 130.66 35.15 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.207 168.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 85.4 m-85 -102.97 120.42 40.6 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.134 -176.685 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -80.78 -168.37 39.08 Favored Glycine 0 CA--C 1.523 0.581 0 N-CA-C 111.247 -0.741 . . . . 0.0 111.247 179.607 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -82.59 162.69 21.84 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.788 0.327 . . . . 0.0 111.168 -175.133 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 94.9 m-20 76.19 0.32 3.24 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.235 178.817 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 92.9 m-85 -137.24 146.4 44.73 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.252 178.727 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 90.1 p -79.97 159.77 26.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.258 -179.424 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 55.0 m -85.22 55.38 3.47 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.228 178.683 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 75.7 tt0 -160.12 141.66 12.61 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.204 -175.672 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 45.8 p90 -143.09 37.76 1.41 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.228 176.395 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 86.4 tt0 -55.85 -35.54 66.54 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.167 -178.069 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 83.5 t60 -54.16 -46.11 72.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.19 -179.748 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 94.6 mt -65.57 -37.23 86.08 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.179 -175.876 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 56.1 t -72.97 -36.69 52.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.219 178.7 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 72.7 tp60 -64.94 -36.93 85.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.228 175.589 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 75.4 mm-40 -71.07 -33.08 69.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.229 176.038 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 51.7 tpt85 -75.17 -24.99 57.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.208 176.27 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 90.11 28.51 17.58 Favored Glycine 0 CA--C 1.524 0.625 0 N-CA-C 111.125 -0.79 . . . . 0.0 111.125 175.7 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -98.25 -167.16 31.44 Favored Glycine 0 CA--C 1.523 0.576 0 N-CA-C 111.173 -0.771 . . . . 0.0 111.173 -179.343 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 95.2 mm-40 -120.01 179.16 4.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.76 0.314 . . . . 0.0 111.206 179.007 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -167.7 141.31 3.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.251 -178.663 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -146.34 128.37 15.55 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.181 178.111 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 66.7 m -69.86 143.11 52.93 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.197 178.807 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 65.4 tt0 -160.08 134.95 7.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.249 -175.701 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -71.87 75.55 0.89 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.154 177.694 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 43.5 mm -62.07 126.5 87.64 Favored Pre-proline 0 C--N 1.328 -0.366 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.231 -177.374 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 79.9 Cg_exo -54.98 130.28 39.9 Favored 'Trans proline' 0 N--CA 1.458 -0.593 0 C-N-CA 121.668 1.579 . . . . 0.0 111.214 -175.916 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 16.0 tt -75.02 -20.01 16.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.197 171.552 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 68.0 m-20 -83.45 -35.56 24.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.203 -177.717 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 64.6 tt0 -86.06 -59.89 2.17 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.187 178.323 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 95.4 m-85 -91.14 -54.9 3.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.187 -176.439 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 119.2 26.69 2.4 Favored Glycine 0 CA--C 1.524 0.6 0 N-CA-C 111.162 -0.775 . . . . 0.0 111.162 -177.495 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 79.6 m -109.87 169.56 8.64 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.792 0.329 . . . . 0.0 111.185 178.805 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -94.89 -166.11 35.81 Favored Glycine 0 CA--C 1.523 0.591 0 N-CA-C 111.185 -0.766 . . . . 0.0 111.185 -177.831 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 58.6 p-10 -91.51 9.57 31.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.815 0.341 . . . . 0.0 111.212 -179.594 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 77.4 p -110.65 10.67 22.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.149 175.209 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -71.06 154.96 41.35 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.233 -175.535 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . 0.428 ' HD2' ' CZ ' ' A' ' 84' ' ' TYR . 40.8 ttm180 -137.94 137.74 38.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.221 178.321 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 63.9 tt0 -95.88 116.05 28.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.208 178.39 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' TYR . . . . . 0.428 ' CZ ' ' HD2' ' A' ' 82' ' ' ARG . 96.5 m-85 -97.72 138.24 35.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.132 177.108 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 74.8 t -116.74 107.99 23.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.195 -169.816 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 95.2 mt -121.86 167.75 12.67 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.242 -177.364 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 96.1 mtp 54.98 34.67 22.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.257 179.74 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 96.3 m-20 63.84 33.53 12.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.211 175.873 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 96.96 -4.07 62.77 Favored Glycine 0 CA--C 1.522 0.508 0 N-CA-C 111.181 -0.768 . . . . 0.0 111.181 175.58 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -80.14 -19.07 48.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.763 0.316 . . . . 0.0 111.205 -179.592 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.402 HD23 ' SG ' ' A' ' 31' ' ' CYS . 57.2 tp -121.27 121.76 38.42 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.167 177.082 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -114.5 108.44 16.86 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.178 -179.236 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 44.3 t -111.47 120.51 62.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.193 -174.109 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 87.3 mt -101.38 123.12 54.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.196 -176.75 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -106.25 147.75 16.3 Favored Glycine 0 CA--C 1.522 0.512 0 N-CA-C 111.237 -0.745 . . . . 0.0 111.237 171.12 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 29.6 p90 -163.73 172.1 14.66 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.815 0.341 . . . . 0.0 111.202 -170.221 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 14.0 m-20 -96.6 86.47 4.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.197 175.377 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 71.5 t80 -49.07 126.5 12.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.214 -178.498 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 56.0 m -130.0 169.63 15.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.239 -175.328 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 99.8 m -53.84 -44.96 70.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.211 -178.006 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -63.37 -32.85 74.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.163 -178.544 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 60.2 mtt -75.21 -24.99 57.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.204 -175.077 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 66.1 tt0 -53.46 -40.48 65.3 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.223 179.826 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 92.0 p -93.15 -2.77 54.99 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.181 -174.765 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 95.6 mt -112.09 -67.86 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.185 -173.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 13.5 tt -70.77 -23.42 23.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.224 -168.269 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -72.49 -41.36 66.07 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.19 176.272 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 38.6 t70 -66.91 -36.67 82.79 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.194 173.804 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 109' ' ' TYR . . . . . . . . . . . . . 81.0 t80 -56.09 -42.37 76.64 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.192 178.648 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 60.3 p -70.9 167.17 19.6 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.186 -176.683 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 54.4 m-20 -106.18 -37.69 6.5 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.181 -178.376 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 92.0 mt -112.8 146.46 38.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.212 172.126 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 95.2 t -123.86 122.13 63.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.254 177.42 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 114' ' ' ILE . . . . . 0.416 HG12 ' HB ' ' A' ' 133' ' ' ILE . 77.6 mt -114.2 117.36 55.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.272 175.191 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 60.7 p -91.88 158.3 16.37 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.191 177.081 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 14.6 t-160 -129.6 119.88 24.35 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.231 -177.467 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . 54.82 45.31 26.88 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.223 176.241 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 163.41 -176.27 39.58 Favored Glycine 0 CA--C 1.524 0.637 0 N-CA-C 111.171 -0.772 . . . . 0.0 111.171 178.268 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 45.7 p -126.78 25.09 6.43 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.798 0.332 . . . . 0.0 111.181 179.103 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -64.3 -45.61 93.0 Favored Glycine 0 CA--C 1.524 0.6 0 N-CA-C 111.183 -0.767 . . . . 0.0 111.183 -178.628 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 66.7 m -75.18 -17.51 60.36 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.817 0.342 . . . . 0.0 111.259 177.187 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 122' ' ' ILE . . . . . 0.449 HG13 HG23 ' A' ' 134' ' ' VAL . 48.9 mm -79.12 -41.51 23.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.141 -176.642 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 42.2 tp -63.46 -36.43 83.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.281 178.863 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 94.3 m-20 -70.32 -50.37 39.92 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.179 173.667 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 33.3 t -55.83 -35.43 66.37 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.218 178.704 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 64.2 tp -56.55 -45.75 81.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.29 172.742 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 90.6 mtm180 -74.71 -20.5 59.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.241 178.696 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 94.5 mt -88.47 -8.03 55.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.232 178.638 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 78.9 m-20 64.86 35.09 8.72 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.208 -179.34 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 130' ' ' LYS . . . . . 0.426 ' HA ' ' HD3' ' A' ' 131' ' ' PRO . 39.1 mmtm -111.24 149.8 41.09 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.229 177.357 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 131' ' ' PRO . . . . . 0.426 ' HD3' ' HA ' ' A' ' 130' ' ' LYS . 72.7 Cg_exo -56.99 147.38 74.85 Favored 'Trans proline' 0 N--CA 1.458 -0.594 0 C-N-CA 121.71 1.607 . . . . 0.0 111.216 -175.208 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 132' ' ' LEU . . . . . 0.414 ' O ' ' HA ' ' A' ' 158' ' ' VAL . 33.4 mt -111.89 97.51 6.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.177 -167.782 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 133' ' ' ILE . . . . . 0.416 ' HB ' HG12 ' A' ' 114' ' ' ILE . 89.4 mt -101.81 125.61 55.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.215 176.805 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 134' ' ' VAL . . . . . 0.449 HG23 HG13 ' A' ' 122' ' ' ILE . 93.9 t -118.61 106.82 20.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.166 -174.714 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 135' ' ' CYS . . . . . . . . . . . . . 50.5 t -99.91 112.65 24.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.223 178.552 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 46.6 t -140.22 130.81 29.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.179 -179.033 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 11.4 t-20 . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.167 179.994 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.746 0.308 . . . . 0.0 111.201 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 99.8 m-20 -66.13 -34.84 78.97 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.186 172.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 151' ' ' LYS . . . . . . . . . . . . . 96.2 mttt -69.96 -36.28 75.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.271 176.804 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 152' ' ' PHE . . . . . . . . . . . . . 19.9 m-30 -59.91 -29.17 68.18 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.172 -178.137 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 153' ' ' VAL . . . . . . . . . . . . . 74.6 t -53.83 -40.06 42.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.22 -177.329 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 95.0 mt-10 -120.0 -4.84 10.08 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.205 -172.475 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 155' ' ' LEU . . . . . . . . . . . . . 52.2 tp -55.45 -53.76 52.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.256 -176.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . 105.13 -30.73 9.48 Favored Glycine 0 CA--C 1.524 0.636 0 N-CA-C 111.203 -0.759 . . . . 0.0 111.203 175.54 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 157' ' ' TYR . . . . . . . . . . . . . 28.5 m-85 -87.62 -53.04 5.0 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.782 0.325 . . . . 0.0 111.192 176.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 158' ' ' VAL . . . . . 0.414 ' HA ' ' O ' ' A' ' 132' ' ' LEU . 50.0 t -108.75 134.91 49.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.197 -178.934 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 159' ' ' TRP . . . . . . . . . . . . . 13.4 m-90 -118.87 132.34 56.1 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.16 -178.382 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 160' ' ' SER . . . . . . . . . . . . . 30.6 t -85.81 126.58 34.13 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.218 178.574 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 161' ' ' CYS . . . . . . . . . . . . . 34.0 m -133.34 170.19 15.83 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.197 179.738 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -119.58 149.0 47.16 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.234 178.673 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 163' ' ' PRO . . . . . . . . . . . . . 86.3 Cg_endo -78.52 62.85 8.35 Favored 'Trans proline' 0 N--CA 1.458 -0.601 0 C-N-CA 121.719 1.613 . . . . 0.0 111.208 -179.498 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 164' ' ' THR . . . . . . . . . . . . . 10.6 p -133.89 -179.99 5.89 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.223 179.149 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 165' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -64.37 -17.23 63.54 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.146 177.798 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 166' ' ' THR . . . . . . . . . . . . . 74.9 p -114.63 -32.11 5.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.158 -171.321 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 167' ' ' GLY . . . . . . . . . . . . . . . -72.92 -38.13 56.3 Favored Glycine 0 CA--C 1.524 0.619 0 N-CA-C 111.181 -0.767 . . . . 0.0 111.181 -179.273 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 168' ' ' LEU . . . . . . . . . . . . . 91.5 mt -65.57 -36.54 84.07 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.78 0.324 . . . . 0.0 111.179 178.187 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 94.6 mt -71.62 -39.71 70.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.186 173.703 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 170' ' ' ALA . . . . . . . . . . . . . . . -57.26 -34.89 69.08 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.192 178.808 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 171' ' ' GLY . . . . . . . . . . . . . . . -63.35 -43.19 98.73 Favored Glycine 0 CA--C 1.523 0.567 0 N-CA-C 111.201 -0.76 . . . . 0.0 111.201 178.167 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 97.7 mt -64.88 -37.78 88.77 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.807 0.336 . . . . 0.0 111.172 177.855 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 173' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -78.82 -27.35 44.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.219 -179.658 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -65.63 -34.82 79.12 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.24 -179.798 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 59.7 p -64.98 -24.95 67.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.178 177.485 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 176' ' ' GLN . . . . . . . . . . . . . 66.5 tt0 -85.77 -41.9 14.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.221 178.254 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 177' ' ' THR . . . . . . . . . . . . . 89.1 m -65.89 -58.44 5.57 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.288 -177.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 178' ' ' GLU . . . . . . . . . . . . . 76.1 mm-40 -110.06 89.94 3.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.148 176.022 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 179' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -71.84 148.8 45.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.231 -172.237 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 180' ' ' LEU . . . . . 0.484 HD21 ' C ' ' A' ' 180' ' ' LEU . 8.2 tt . . . . . 0 C--N 1.328 -0.361 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.203 177.358 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 72.5 mm-40 . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.775 0.322 . . . . 0.0 111.218 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 36.4 tptt -50.26 109.83 0.34 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.171 -177.651 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -116.99 126.05 52.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.209 -171.577 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 52.9 tp -99.36 121.84 41.67 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.169 172.81 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 73.6 t80 -99.63 120.06 39.08 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.164 177.753 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 88.7 t -113.62 127.91 70.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.243 178.002 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 10.1 t -138.57 146.56 41.97 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.187 177.68 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 68.7 m -104.81 155.46 18.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.196 178.885 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -79.29 -177.62 50.19 Favored Glycine 0 CA--C 1.523 0.574 0 N-CA-C 111.258 -0.737 . . . . 0.0 111.258 -179.689 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -89.68 -4.67 57.64 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.799 0.333 . . . . 0.0 111.207 -176.22 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 71.8 p -112.12 5.0 18.32 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.174 -177.136 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 27.1 m -125.3 155.65 71.16 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.236 179.697 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 55.3 Cg_endo -69.46 138.43 38.76 Favored 'Trans proline' 0 N--CA 1.457 -0.641 0 C-N-CA 121.753 1.635 . . . . 0.0 111.251 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . 0.489 ' N ' ' HD2' ' A' ' 19' ' ' PRO . 29.6 m-85 -80.88 -57.18 0.6 Allowed Pre-proline 0 C--N 1.328 -0.334 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.17 -175.577 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . 0.489 ' HD2' ' N ' ' A' ' 18' ' ' PHE . 37.7 Cg_endo -70.0 -24.98 27.97 Favored 'Trans proline' 0 N--CA 1.458 -0.579 0 C-N-CA 121.688 1.592 . . . . 0.0 111.212 -171.514 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -74.17 -30.86 62.45 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.153 179.197 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 96.9 mt -86.42 -19.73 29.22 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.173 177.394 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 46.5 t -66.58 -40.0 85.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.173 170.365 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 57.0 p -65.93 -20.02 66.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.242 -178.311 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 90.9 m -86.34 -14.91 42.16 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.21 -176.809 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 30.5 m -114.16 -2.93 10.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.233 -178.78 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 84.1 mt -103.71 11.99 35.26 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.17 170.526 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 4.1 t -60.68 144.09 52.81 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.144 175.035 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 87.9 m-20 -60.17 -39.29 85.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.165 175.867 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -76.95 -36.71 56.32 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.205 -178.879 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 55.7 t80 -57.0 -50.16 73.56 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.239 174.383 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 90.3 m -75.21 -30.07 60.51 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.185 -176.753 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 66.5 tt0 -56.67 -50.83 70.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.221 174.132 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -76.76 -29.11 55.98 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.14 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 45.2 tp -53.0 -44.28 67.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.213 173.73 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 97.5 mt -60.75 -40.02 83.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.181 172.462 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 88.6 mt-30 -70.26 -16.15 63.0 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.218 -178.757 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 27.6 m-85 -95.88 1.7 53.19 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.171 176.443 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 93.86 10.2 59.03 Favored Glycine 0 CA--C 1.523 0.584 0 N-CA-C 111.17 -0.772 . . . . 0.0 111.17 168.217 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 84.2 m-85 -94.23 134.15 37.0 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.785 0.326 . . . . 0.0 111.269 -178.268 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 35.1 m -126.62 -16.12 3.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.164 -176.034 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 11.6 mpt_? -112.87 128.59 56.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.212 171.134 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 63.7 tp -119.15 105.01 10.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.218 175.773 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 91.8 mt -106.14 116.92 50.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.207 -177.637 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 80.6 mt -119.01 121.41 66.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.255 -174.023 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 19.6 tm0? -94.03 138.4 32.16 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.186 178.229 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 44.9 p90 -142.81 155.06 44.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.217 176.757 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -58.8 -61.86 6.9 Favored Glycine 0 CA--C 1.523 0.57 0 N-CA-C 111.271 -0.732 . . . . 0.0 111.271 -168.259 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 40.1 ptt180 -167.98 140.72 3.14 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.81 0.338 . . . . 0.0 111.22 -179.088 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 95.3 m-20 55.32 38.24 30.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.209 166.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 52.0 m-85 -113.67 18.06 17.76 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.094 171.782 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 76.9 p -75.91 -14.13 60.26 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.238 178.908 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 90.8 p -64.96 -25.76 68.01 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.17 177.377 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 77.2 mm-40 -69.17 -29.97 68.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.179 174.187 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 49.1 m-85 -78.92 -32.21 45.54 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.192 176.649 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -66.82 -39.19 87.62 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.159 173.636 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 65.0 m170 -60.01 -43.4 95.25 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.212 174.4 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 39.6 tp -56.7 -60.42 3.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.203 175.218 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 5.2 p -69.02 -26.58 32.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.258 -169.212 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 71.9 tp60 -71.67 -45.91 60.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.167 178.848 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -71.77 -34.83 69.78 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.183 -178.562 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 11.9 mpt_? -80.04 -27.45 39.42 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.144 -179.627 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 85.02 43.15 6.81 Favored Glycine 0 CA--C 1.523 0.565 0 N-CA-C 111.236 -0.746 . . . . 0.0 111.236 175.25 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -103.62 -164.98 25.28 Favored Glycine 0 CA--C 1.524 0.623 0 N-CA-C 111.171 -0.771 . . . . 0.0 111.171 -179.099 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 97.1 mm-40 -110.6 161.96 15.2 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.859 0.361 . . . . 0.0 111.171 176.821 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 32.9 ptt-85 -149.76 150.01 31.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.228 -178.501 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 37.3 tt0 -167.73 137.2 2.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.173 175.177 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 32.9 t -90.98 130.63 36.88 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.241 175.618 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 86.6 mt-30 -130.46 142.25 50.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.222 -179.272 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -71.61 129.94 39.96 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.224 177.831 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 49.3 mm -83.07 123.81 77.14 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.241 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . 0.413 ' HB2' ' HB3' ' A' ' 74' ' ' GLN . 74.3 Cg_exo -55.44 130.04 38.4 Favored 'Trans proline' 0 N--CA 1.458 -0.601 0 C-N-CA 121.692 1.595 . . . . 0.0 111.147 -179.561 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 96.8 mt -75.74 -39.14 38.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.221 174.02 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 99.4 m-20 -62.73 -40.34 96.89 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.193 -178.913 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . 0.413 ' HB3' ' HB2' ' A' ' 71' ' ' PRO . 64.2 tt0 -85.04 -57.68 3.0 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.246 -178.072 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 77.1 m-85 -89.99 -59.16 2.27 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.187 -175.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 120.73 -21.11 8.56 Favored Glycine 0 CA--C 1.524 0.6 0 N-CA-C 111.141 -0.784 . . . . 0.0 111.141 -178.218 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' CYS . . . . . 0.4 ' HA ' ' SD ' ' A' ' 102' ' ' MET . 98.5 m -75.27 142.42 43.33 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.801 0.334 . . . . 0.0 111.229 176.479 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -108.15 5.05 33.77 Favored Glycine 0 CA--C 1.523 0.575 0 N-CA-C 111.186 -0.766 . . . . 0.0 111.186 -173.607 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 44.0 p30 -88.79 -174.68 4.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.788 0.328 . . . . 0.0 111.194 -176.86 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 69.6 p -123.56 74.13 1.24 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.266 -177.745 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -57.01 144.92 32.2 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.205 -174.775 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 77.5 mtp180 -98.73 122.86 42.49 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.193 -174.311 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 28.5 tt0 -90.07 129.98 36.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.143 179.009 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 86.2 m-85 -125.09 142.35 51.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.148 173.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 89.3 t -92.92 124.91 45.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.242 177.305 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.419 ' O ' ' HB2' ' A' ' 87' ' ' MET . 31.1 tp -136.68 145.34 44.64 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.153 -176.525 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' MET . . . . . 0.419 ' HB2' ' O ' ' A' ' 86' ' ' LEU . 82.4 mmm 69.98 32.23 3.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.233 -179.138 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 96.2 m-20 64.98 28.43 12.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.221 177.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 89.57 9.53 66.51 Favored Glycine 0 CA--C 1.523 0.556 0 N-CA-C 111.183 -0.767 . . . . 0.0 111.183 175.29 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -72.56 -24.97 61.19 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.834 0.349 . . . . 0.0 111.204 177.535 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.492 ' C ' HD12 ' A' ' 91' ' ' LEU . 4.7 pp -149.03 160.42 43.34 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.186 171.527 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 83.5 mttt -106.29 144.74 32.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.145 177.486 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 80.5 t -115.55 114.93 47.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.128 174.616 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 31.8 mm -110.78 111.99 38.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.261 -175.791 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -88.81 128.92 9.37 Favored Glycine 0 CA--C 1.524 0.6 0 N-CA-C 111.166 -0.773 . . . . 0.0 111.166 179.224 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 25.9 m-85 -112.24 122.88 48.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.822 0.344 . . . . 0.0 111.182 177.048 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 43.5 t0 -103.79 94.91 5.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.239 177.136 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 37.7 p90 -167.03 179.88 4.98 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.194 175.06 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 93.5 p -84.99 -128.15 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.22 -174.763 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 80.9 p -111.88 1.3 16.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.196 -177.9 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -71.82 -33.27 68.37 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.174 -170.347 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 102' ' ' MET . . . . . 0.4 ' SD ' ' HA ' ' A' ' 77' ' ' CYS . 72.0 mtm -116.33 16.17 15.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.215 -168.891 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 77.7 mt-30 -74.93 -35.04 62.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.22 -178.3 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 73.7 m -64.03 -31.41 72.59 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.173 178.691 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 94.5 mt -59.44 -46.98 92.27 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.205 178.496 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 49.6 mm -77.57 -36.76 23.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.179 -176.76 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 88.3 mtm-85 -60.01 -37.21 79.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.15 177.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -62.22 -30.08 70.84 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.216 175.455 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 109' ' ' TYR . . . . . . . . . . . . . 19.4 m-30 -92.96 -18.49 22.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.217 -174.834 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 74.8 p -74.15 172.13 12.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.146 -175.242 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 48.1 m-20 -112.12 -32.02 6.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.135 175.064 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 60.1 tp -139.5 136.43 34.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.186 174.588 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 85.7 t -114.04 122.67 68.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.205 -176.321 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 114' ' ' ILE . . . . . 0.455 HG12 ' HB ' ' A' ' 133' ' ' ILE . 92.9 mt -107.92 123.76 63.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.232 167.503 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 15.4 t -130.37 -176.6 4.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.191 177.848 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 73.7 m80 -133.5 145.05 49.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.201 -176.73 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -55.25 134.32 49.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.184 178.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 110.67 40.69 1.3 Allowed Glycine 0 CA--C 1.522 0.519 0 N-CA-C 111.212 -0.755 . . . . 0.0 111.212 -179.571 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 119' ' ' THR . . . . . 0.655 ' O ' ' C ' ' A' ' 120' ' ' GLY . 12.9 t -173.87 24.59 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.822 0.344 . . . . 0.0 111.211 175.897 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 120' ' ' GLY . . . . . 0.655 ' C ' ' O ' ' A' ' 119' ' ' THR . . . 3.45 63.86 0.0 OUTLIER Glycine 0 CA--C 1.523 0.564 0 N-CA-C 111.176 -0.77 . . . . 0.0 111.176 -174.571 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 121' ' ' SER . . . . . 0.63 ' N ' ' O ' ' A' ' 119' ' ' THR . 80.6 p -93.22 3.64 55.32 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.778 0.323 . . . . 0.0 111.221 177.905 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 122' ' ' ILE . . . . . . . . . . . . . 35.3 pt -67.38 -19.9 25.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.111 -172.613 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 64.1 tp -56.56 -46.03 80.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.113 -173.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 74.5 m-20 -59.95 -59.78 4.88 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.141 -173.563 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 10.4 t -54.55 -36.48 64.36 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.206 -179.13 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 4.0 mp -63.51 -51.13 66.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.212 176.644 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 20.1 ptt180 -74.88 -15.02 60.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.192 -175.749 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 97.9 mt -92.52 -7.43 47.35 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.184 178.701 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 84.0 m-20 64.43 35.04 9.84 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.221 -176.618 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 94.3 mttt -109.71 149.91 40.56 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.173 -178.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 38.5 Cg_endo -64.04 138.41 62.08 Favored 'Trans proline' 0 N--CA 1.458 -0.562 0 C-N-CA 121.639 1.559 . . . . 0.0 111.179 177.005 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 65.2 tp -128.5 126.16 39.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.15 -171.679 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 133' ' ' ILE . . . . . 0.455 ' HB ' HG12 ' A' ' 114' ' ' ILE . 62.0 mt -107.99 125.96 64.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.252 171.085 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 97.5 t -125.04 128.45 73.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.173 179.138 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 135' ' ' CYS . . . . . . . . . . . . . 95.9 m -89.07 124.94 34.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.265 175.038 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 97.2 t -94.07 114.39 30.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.183 -177.798 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 27.2 p30 . . . . . 0 C--N 1.329 -0.326 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.184 -174.344 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.781 0.324 . . . . 0.0 111.196 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 95.1 m-20 -65.06 -35.07 79.98 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.193 178.563 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 151' ' ' LYS . . . . . . . . . . . . . 70.0 mmtt -77.6 -28.42 51.53 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.237 -179.661 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 152' ' ' PHE . . . . . . . . . . . . . 16.0 m-30 -61.44 -36.44 80.4 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.204 169.244 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 153' ' ' VAL . . . . . . . . . . . . . 79.3 t -75.01 -45.32 43.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.246 178.308 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 94.3 mt-10 -63.09 -34.51 77.76 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.207 178.585 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 155' ' ' LEU . . . . . . . . . . . . . 46.2 tp -67.63 -48.25 67.26 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.216 172.071 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . 85.42 10.22 77.64 Favored Glycine 0 CA--C 1.524 0.629 0 N-CA-C 111.222 -0.751 . . . . 0.0 111.222 168.684 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 157' ' ' TYR . . . . . . . . . . . . . 79.5 m-85 -124.98 3.57 8.02 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.775 0.321 . . . . 0.0 111.163 -179.196 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 158' ' ' VAL . . . . . . . . . . . . . 58.8 t -123.94 125.0 70.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.232 177.719 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 159' ' ' TRP . . . . . . . . . . . . . 95.4 m95 -82.74 133.3 35.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.189 179.393 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 160' ' ' SER . . . . . . . . . . . . . 40.5 t -102.31 109.28 20.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.169 178.502 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 161' ' ' CYS . . . . . . . . . . . . . 78.6 m -125.04 -175.22 3.24 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.216 -175.165 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -100.11 146.43 31.92 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.262 178.195 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 163' ' ' PRO . . . . . . . . . . . . . 89.3 Cg_endo -77.24 64.79 7.92 Favored 'Trans proline' 0 N--CA 1.457 -0.636 0 C-N-CA 121.801 1.667 . . . . 0.0 111.143 179.723 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 164' ' ' THR . . . . . . . . . . . . . 14.6 t -162.49 175.77 11.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.151 179.557 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 165' ' ' GLU . . . . . . . . . . . . . 89.3 tt0 -53.99 -45.95 71.57 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.156 -175.804 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 166' ' ' THR . . . . . . . . . . . . . 95.0 m -64.55 -48.9 73.32 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.177 -176.701 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 167' ' ' GLY . . . . . . . . . . . . . . . -66.21 -35.2 90.06 Favored Glycine 0 CA--C 1.523 0.571 0 N-CA-C 111.224 -0.75 . . . . 0.0 111.224 -177.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 168' ' ' LEU . . . . . . . . . . . . . 64.6 mt -69.36 -45.2 69.96 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.846 0.355 . . . . 0.0 111.229 -176.256 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 169' ' ' ILE . . . . . 0.401 HD13 ' HA ' ' A' ' 169' ' ' ILE . 9.4 tp -75.11 -27.12 19.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.219 178.465 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 170' ' ' ALA . . . . . . . . . . . . . . . -69.55 -35.54 75.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.22 174.179 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 171' ' ' GLY . . . . . . . . . . . . . . . -63.63 -42.2 98.83 Favored Glycine 0 CA--C 1.524 0.609 0 N-CA-C 111.209 -0.757 . . . . 0.0 111.209 175.532 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 62.7 mt -61.4 -42.65 99.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.859 0.361 . . . . 0.0 111.195 175.698 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 173' ' ' ARG . . . . . . . . . . . . . 37.0 ttm180 -57.51 -46.41 83.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.202 174.511 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -64.99 -40.26 94.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.255 -177.382 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 60.7 p -65.05 -24.93 67.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.217 -178.18 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 176' ' ' GLN . . . . . . . . . . . . . 87.5 mm-40 -99.66 -18.56 17.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.162 -179.183 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 177' ' ' THR . . . . . . . . . . . . . 81.7 m -72.6 -46.3 54.88 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.252 175.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 178' ' ' GLU . . . . . . . . . . . . . 93.8 mt-10 -121.71 140.7 51.98 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.217 179.625 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 179' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -91.96 129.88 37.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.23 -178.225 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 180' ' ' LEU . . . . . . . . . . . . . 86.3 mt . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.167 176.256 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 17.7 mt-10 . . . . . 0 CA--C 1.524 -0.054 0 CA-C-O 120.787 0.327 . . . . 0.0 111.188 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . 0.513 ' HB2' ' HA ' ' A' ' 39' ' ' PHE . 90.8 mttt -67.53 136.52 54.67 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.169 178.773 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -127.87 135.29 49.82 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.183 -174.127 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 97.1 mt -86.4 140.63 29.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.226 167.663 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 47.4 t80 -116.86 102.71 9.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.194 175.39 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 71.6 t -104.81 123.58 58.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.176 -172.316 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 69.8 p -115.32 141.43 48.04 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.267 174.814 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 82.5 m -113.48 144.94 41.99 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.186 -174.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -111.71 168.58 12.82 Favored Glycine 0 CA--C 1.523 0.556 0 N-CA-C 111.214 -0.754 . . . . 0.0 111.214 -179.299 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -87.35 54.76 3.26 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.827 0.346 . . . . 0.0 111.166 -173.133 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' THR . . . . . 0.408 ' OG1' ' NE2' ' A' ' 116' ' ' HIS . 29.4 p -128.5 -72.66 0.6 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.182 178.386 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.407 ' HA ' ' HD3' ' A' ' 17' ' ' PRO . 84.8 t -84.1 133.16 46.0 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.168 172.58 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . 0.407 ' HD3' ' HA ' ' A' ' 16' ' ' VAL . 86.9 Cg_exo -51.36 141.8 39.48 Favored 'Trans proline' 0 N--CA 1.457 -0.627 0 C-N-CA 121.643 1.562 . . . . 0.0 111.222 -179.418 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . 0.542 ' N ' ' CD ' ' A' ' 19' ' ' PRO . 14.4 m-30 -63.39 -43.13 78.41 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.203 -173.089 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . 0.542 ' CD ' ' N ' ' A' ' 18' ' ' PHE . 71.1 Cg_exo -54.91 -31.99 76.0 Favored 'Trans proline' 0 N--CA 1.459 -0.556 0 C-N-CA 121.636 1.558 . . . . 0.0 111.252 178.441 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -82.09 -24.66 35.06 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.157 -179.909 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 83.4 mt -75.8 -23.91 55.89 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.204 -179.135 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 27.3 m -99.34 -11.34 8.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.217 -176.854 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 72.9 p -63.48 -31.96 73.28 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.244 -178.26 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 26.1 p -80.58 -41.95 23.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.213 178.615 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 1.4 p -74.4 -19.97 17.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.215 -174.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 92.1 mt -100.1 5.41 44.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.171 -178.81 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 55.0 p -68.03 152.66 45.17 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.264 -178.073 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 94.7 m-20 -64.94 -34.96 79.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.222 179.059 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -69.87 -45.67 67.21 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.269 -179.567 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 78.7 t80 -59.65 -49.44 77.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.184 178.858 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 90.1 m -69.13 -39.87 78.63 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.187 -176.006 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 66.8 tt0 -55.74 -41.89 74.58 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.159 176.619 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 65.6 mm-40 -76.44 -38.2 55.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.224 176.793 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 36.7 tp -57.45 -42.53 82.68 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.16 -173.768 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 42.7 pt -73.61 -7.91 10.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.258 -174.811 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 68.4 mt-30 -93.92 -0.67 55.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.166 178.164 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 72.1 m-85 -109.34 -2.46 17.81 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.266 176.285 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 99.56 -5.86 58.8 Favored Glycine 0 CA--C 1.523 0.579 0 N-CA-C 111.224 -0.75 . . . . 0.0 111.224 178.586 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.513 ' HA ' ' HB2' ' A' ' 6' ' ' LYS . 51.8 m-85 -80.73 124.64 29.21 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.888 0.375 . . . . 0.0 111.208 -178.809 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 85.4 t -122.17 -42.23 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.156 -177.713 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 85.9 mtt180 -91.26 137.95 31.97 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.185 -172.082 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 56.7 tp -129.48 109.24 10.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.224 -176.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 3.0 mp -94.65 106.25 17.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.14 179.167 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 45.6 mm -101.99 102.39 13.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.171 -179.715 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 21.4 tm0? -77.53 127.7 32.95 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.197 174.02 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 47.3 p90 -155.05 158.66 39.43 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.178 171.879 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -111.09 -5.51 26.79 Favored Glycine 0 CA--C 1.524 0.629 0 N-CA-C 111.15 -0.78 . . . . 0.0 111.15 178.723 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -101.9 124.13 47.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.853 0.359 . . . . 0.0 111.231 -179.606 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 56.5 t30 -77.37 68.52 3.49 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.214 -175.782 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 53.8 p90 -98.6 30.49 3.24 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.193 167.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 91.5 p -66.36 -15.44 63.27 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.146 -173.42 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 87.5 p -65.12 -25.04 67.6 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.192 175.154 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 77.2 mm-40 -71.16 -35.17 71.54 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.163 176.343 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 52.2 m-85 -65.47 -38.77 90.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.214 171.712 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 79.0 tt0 -66.99 -36.58 82.48 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.15 178.121 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 34.7 m-70 -70.1 -30.0 67.11 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.192 175.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 57.3 tp -64.55 -46.77 81.38 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.2 179.182 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 28.1 m -72.29 -23.99 21.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.212 -179.515 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 82.6 mt-30 -68.51 -38.73 81.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.179 172.704 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -68.6 -32.3 72.09 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.224 177.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 74.7 mmt-85 -95.0 -16.58 22.64 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.238 -174.037 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 82.7 32.2 27.84 Favored Glycine 0 CA--C 1.523 0.575 0 N-CA-C 111.228 -0.749 . . . . 0.0 111.228 176.193 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -102.81 -164.67 26.02 Favored Glycine 0 CA--C 1.522 0.528 0 N-CA-C 111.216 -0.753 . . . . 0.0 111.216 -179.509 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 95.4 mm-40 -119.72 177.39 4.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.811 0.339 . . . . 0.0 111.151 179.834 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -167.03 150.08 6.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.176 178.401 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 41.3 tt0 -152.83 131.96 12.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.179 -177.593 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 35.3 t -78.75 131.17 36.46 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.205 172.697 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 84.9 mt-30 -136.56 145.01 44.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.202 -175.352 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -84.73 124.98 32.13 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.258 172.908 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.457 ' HB ' ' HB2' ' A' ' 77' ' ' CYS . 48.0 mm -112.39 134.82 21.47 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.273 -171.561 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . 0.437 ' HD3' ' HA ' ' A' ' 70' ' ' ILE . 76.9 Cg_exo -55.44 155.52 20.49 Favored 'Trans proline' 0 N--CA 1.457 -0.62 0 C-N-CA 121.68 1.586 . . . . 0.0 111.239 -176.375 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 96.6 mt -93.09 -47.35 13.77 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.235 176.748 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 99.5 m-20 -64.97 -43.27 93.17 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.147 -177.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 61.9 tp60 -78.17 -31.87 49.88 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.207 -176.163 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 95.7 m-85 -124.93 -59.96 1.39 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.189 -174.507 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 119.98 23.21 3.06 Favored Glycine 0 CA--C 1.523 0.552 0 N-CA-C 111.208 -0.757 . . . . 0.0 111.208 179.587 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' CYS . . . . . 0.457 ' HB2' ' HB ' ' A' ' 70' ' ' ILE . 66.4 m -115.1 165.96 12.34 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.766 0.317 . . . . 0.0 111.202 -172.168 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -104.3 -140.44 10.54 Favored Glycine 0 CA--C 1.523 0.588 0 N-CA-C 111.196 -0.762 . . . . 0.0 111.196 175.859 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 52.8 p-10 -106.61 22.94 15.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.823 0.344 . . . . 0.0 111.192 178.724 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 68.2 p -115.65 38.46 3.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.155 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -109.95 138.27 46.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.175 174.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 82.9 mtp180 -128.96 122.0 29.22 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.229 -177.766 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 63.9 tt0 -87.33 135.62 33.25 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.118 -179.89 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 95.1 m-85 -129.54 132.71 46.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.218 -177.635 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 96.0 t -103.55 117.92 49.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.187 -174.689 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 80.7 mt -129.61 167.55 17.78 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.157 -177.155 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 94.7 mmm 59.63 30.43 20.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.16 177.225 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 96.4 m-20 64.97 33.76 9.51 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.201 178.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 95.45 -2.16 64.89 Favored Glycine 0 CA--C 1.523 0.551 0 N-CA-C 111.238 -0.745 . . . . 0.0 111.238 176.164 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 99.7 mttt -83.6 -14.63 51.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.831 0.348 . . . . 0.0 111.21 -178.902 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.437 ' HG ' HG21 ' A' ' 93' ' ' VAL . 39.4 tp -126.02 126.21 43.91 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.218 178.634 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -112.13 92.57 4.08 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.242 -179.093 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . 0.437 HG21 ' HG ' ' A' ' 91' ' ' LEU . 99.2 t -97.86 119.65 46.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.218 -177.609 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 72.0 mt -118.74 119.88 62.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.122 179.638 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -87.29 134.61 12.59 Favored Glycine 0 CA--C 1.522 0.497 0 N-CA-C 111.253 -0.739 . . . . 0.0 111.253 178.842 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 96.9 m-85 -120.17 101.58 7.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.801 0.334 . . . . 0.0 111.186 -178.652 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 55.4 t0 -84.91 75.22 10.39 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.17 -175.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . 0.428 ' CZ ' ' HA ' ' A' ' 77' ' ' CYS . 45.7 p90 -176.17 172.97 2.26 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.142 174.276 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 86.6 p -64.85 -176.88 0.29 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.198 -177.398 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 47.4 p -75.05 70.35 2.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.147 -177.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -97.93 -3.12 39.09 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.2 179.431 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 71.8 mtm -82.15 65.05 7.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.243 -174.285 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 97.7 mm-40 -90.01 -4.86 57.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.257 -169.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 38.3 m -98.3 -38.38 9.28 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.182 173.046 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 90.1 mt -58.57 -48.66 84.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.258 171.613 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 13.1 tt -63.96 -13.88 14.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.232 -175.39 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 78.7 ttt-85 -87.13 -63.66 1.27 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.253 -178.415 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 58.5 m-20 -106.17 -34.77 7.42 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.209 -167.515 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 109' ' ' TYR . . . . . . . . . . . . . 76.5 m-85 -80.4 -41.9 23.75 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.192 -173.251 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 39.4 t -61.76 136.08 57.85 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.219 178.397 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 30.5 m-20 -116.09 -28.37 6.63 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.174 176.136 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 10.0 tt -138.62 130.92 28.6 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.166 172.38 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 84.3 t -95.1 126.65 47.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.212 -173.551 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 114' ' ' ILE . . . . . 0.435 HG12 ' HB ' ' A' ' 133' ' ' ILE . 84.1 mt -121.24 121.53 65.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.164 174.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 40.0 m -127.04 138.37 53.22 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.203 -179.72 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 116' ' ' HIS . . . . . 0.408 ' NE2' ' OG1' ' A' ' 15' ' ' THR . 74.8 t60 -93.58 131.48 38.81 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.204 173.041 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -61.22 126.3 26.86 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.257 179.057 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 121.12 21.6 3.09 Favored Glycine 0 CA--C 1.523 0.533 0 N-CA-C 111.234 -0.746 . . . . 0.0 111.234 -175.772 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 60.3 m -114.61 -48.23 2.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.745 0.307 . . . . 0.0 111.209 -175.441 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 102.07 -39.11 2.88 Favored Glycine 0 CA--C 1.522 0.514 0 N-CA-C 111.252 -0.739 . . . . 0.0 111.252 -177.04 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 82.4 p -70.48 -15.01 62.76 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.771 0.32 . . . . 0.0 111.183 179.669 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 122' ' ' ILE . . . . . . . . . . . . . 19.6 tt -51.13 -30.04 9.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.195 173.463 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 97.4 mt -65.0 -27.97 69.19 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.224 -176.333 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 68.6 m-20 -104.07 -23.32 13.32 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.164 -178.075 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 52.4 p -75.35 -18.05 60.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.222 -176.146 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 85.4 mt -93.87 -0.48 55.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.229 -178.065 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 51.6 ptt85 -118.1 40.08 3.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.157 178.762 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 90.6 mt -107.67 5.08 26.48 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.196 -176.07 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 96.4 m-20 64.97 35.31 8.3 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.197 -178.393 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 50.8 mttm -127.54 158.2 70.61 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.225 177.062 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_exo -53.82 138.75 68.97 Favored 'Trans proline' 0 N--CA 1.458 -0.614 0 C-N-CA 121.722 1.615 . . . . 0.0 111.255 173.444 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 64.2 mt -122.54 124.46 43.59 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.187 -165.493 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 133' ' ' ILE . . . . . 0.435 ' HB ' HG12 ' A' ' 114' ' ' ILE . 82.7 mt -123.71 129.6 74.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.203 167.93 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 71.9 t -124.91 131.75 72.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.136 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 135' ' ' CYS . . . . . . . . . . . . . 52.7 t -108.25 124.75 50.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.174 179.198 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 28.7 m -78.63 168.86 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.204 -179.812 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 25.2 p30 . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.206 -174.297 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.82 0.343 . . . . 0.0 111.197 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 93.4 m-20 -66.58 -37.64 85.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.217 178.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 151' ' ' LYS . . . . . . . . . . . . . 96.9 mttt -67.65 -40.63 84.55 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.198 176.749 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 152' ' ' PHE . . . . . . . . . . . . . 12.1 m-30 -59.91 -46.53 89.05 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.228 179.007 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 153' ' ' VAL . . . . . . . . . . . . . 75.3 t -73.63 -41.97 55.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.211 -179.286 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -55.58 -44.29 76.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.189 178.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 155' ' ' LEU . . . . . . . . . . . . . 95.4 mt -73.83 -41.43 62.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.128 178.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . 81.17 19.5 66.85 Favored Glycine 0 CA--C 1.523 0.555 0 N-CA-C 111.236 -0.746 . . . . 0.0 111.236 166.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 157' ' ' TYR . . . . . . . . . . . . . 79.8 m-85 -116.63 12.09 14.89 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.768 0.318 . . . . 0.0 111.216 179.126 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 158' ' ' VAL . . . . . . . . . . . . . 9.0 p -160.0 134.12 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.2 178.639 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 159' ' ' TRP . . . . . 0.483 ' HA ' ' CE3' ' A' ' 159' ' ' TRP . 3.7 m95 -79.31 139.99 37.67 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.216 176.511 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 160' ' ' SER . . . . . . . . . . . . . 46.7 t -100.7 110.74 22.88 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.199 177.91 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 161' ' ' CYS . . . . . . . . . . . . . 85.5 m -110.14 149.5 29.98 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.162 -179.415 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -93.6 158.4 36.79 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.188 175.695 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 163' ' ' PRO . . . . . . . . . . . . . 85.5 Cg_endo -74.94 66.1 5.98 Favored 'Trans proline' 0 N--CA 1.458 -0.585 0 C-N-CA 121.687 1.592 . . . . 0.0 111.229 176.863 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 164' ' ' THR . . . . . . . . . . . . . 13.7 t -150.73 179.25 8.36 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.208 -177.02 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 165' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -66.19 -32.5 73.96 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.267 -168.399 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 166' ' ' THR . . . . . . . . . . . . . 75.2 p -106.77 15.96 24.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.176 -176.413 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 167' ' ' GLY . . . . . . . . . . . . . . . -64.67 -51.75 48.95 Favored Glycine 0 CA--C 1.523 0.551 0 N-CA-C 111.21 -0.756 . . . . 0.0 111.21 179.666 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 168' ' ' LEU . . . . . . . . . . . . . 79.3 mt -80.32 -24.08 40.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.817 0.341 . . . . 0.0 111.192 -178.554 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 93.0 mt -64.62 -41.92 93.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.177 175.513 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 170' ' ' ALA . . . . . . . . . . . . . . . -62.53 -44.37 96.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.144 176.636 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 171' ' ' GLY . . . . . . . . . . . . . . . -66.61 -38.78 93.55 Favored Glycine 0 CA--C 1.522 0.53 0 N-CA-C 111.153 -0.779 . . . . 0.0 111.153 178.792 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 62.7 tp -63.0 -43.42 98.85 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.761 0.315 . . . . 0.0 111.184 179.095 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 173' ' ' ARG . . . . . . . . . . . . . 97.1 mtt180 -75.19 -28.28 59.95 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.185 178.112 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -64.04 -34.63 78.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.201 177.121 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 75.4 m -61.63 -30.12 70.5 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.214 176.559 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 176' ' ' GLN . . . . . . . . . . . . . 66.6 tt0 -75.2 -39.18 60.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.213 175.572 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 177' ' ' THR . . . . . . . . . . . . . 92.4 m -64.6 -53.82 41.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.235 -179.761 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 178' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -129.25 144.55 51.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.306 176.891 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 179' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -62.12 124.96 22.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.265 -178.759 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 180' ' ' LEU . . . . . . . . . . . . . 66.0 tp . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.234 -177.36 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . 0.401 ' HA ' ' HB ' ' A' ' 40' ' ' VAL . 95.2 mt-10 . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.809 0.338 . . . . 0.0 111.183 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -85.25 159.91 19.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.181 166.468 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -100.48 114.1 27.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.201 -171.84 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 49.9 tp -102.45 119.91 39.62 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.218 170.518 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 40.2 t80 -104.68 120.17 40.72 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.174 178.691 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 97.1 t -114.85 128.89 71.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.148 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 11.8 t -138.75 150.2 45.87 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.194 178.776 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 72.4 m -125.11 155.0 40.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.189 -173.824 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -79.24 173.79 55.27 Favored Glycine 0 CA--C 1.524 0.612 0 N-CA-C 111.169 -0.772 . . . . 0.0 111.169 170.914 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -93.37 -9.76 37.62 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.736 0.303 . . . . 0.0 111.152 -178.581 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 98.7 m -65.4 -43.88 89.22 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.189 -177.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.401 ' HA ' ' HD3' ' A' ' 17' ' ' PRO . 66.1 t -112.68 133.98 21.77 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.17 -178.633 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . 0.401 ' HD3' ' HA ' ' A' ' 16' ' ' VAL . 88.3 Cg_exo -51.71 142.74 40.11 Favored 'Trans proline' 0 N--CA 1.459 -0.545 0 C-N-CA 121.667 1.578 . . . . 0.0 111.229 -179.194 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . 0.534 ' HB3' ' HD3' ' A' ' 19' ' ' PRO . 81.6 t80 -58.15 -43.82 98.7 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.22 -177.755 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . 0.534 ' HD3' ' HB3' ' A' ' 18' ' ' PHE . 83.0 Cg_exo -53.89 -31.36 62.44 Favored 'Trans proline' 0 N--CA 1.459 -0.532 0 C-N-CA 121.595 1.53 . . . . 0.0 111.224 -179.029 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 97.4 mttt -85.56 -31.66 22.56 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.211 -176.397 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 92.0 mt -82.04 -33.98 29.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.24 -179.294 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 6.6 p -70.96 -17.27 20.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.148 -175.677 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 85.4 p -63.69 -17.21 62.74 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.156 -178.201 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 99.4 m -83.75 -15.01 50.17 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.155 -178.389 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 26.9 m -119.97 12.29 6.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.249 -177.486 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 94.2 mt -108.57 2.3 22.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.188 174.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 3.9 t -60.1 140.0 57.15 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.174 177.282 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 98.1 m-20 -63.24 -35.11 79.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.22 175.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 77.8 mm-40 -75.12 -36.67 61.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.156 177.662 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.413 ' CE2' HD11 ' A' ' 34' ' ' LEU . 82.6 t80 -55.97 -51.09 68.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.206 175.71 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 98.5 m -76.45 -29.06 56.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.19 -176.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 68.9 tp60 -65.1 -31.49 72.72 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.153 177.688 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 69.6 mm-40 -79.7 -38.25 33.91 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.244 179.05 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.413 HD11 ' CE2' ' A' ' 30' ' ' PHE . 36.3 mt -54.54 -41.26 69.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.232 -178.761 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 48.1 pt -76.41 -7.57 10.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.203 -177.168 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 65.6 mt-30 -94.86 -5.67 44.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.258 173.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 30.1 m-85 -110.99 -10.36 14.38 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.179 172.166 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 94.66 33.55 6.69 Favored Glycine 0 CA--C 1.524 0.631 0 N-CA-C 111.228 -0.749 . . . . 0.0 111.228 173.488 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 84.4 m-85 -99.19 130.2 45.48 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.822 0.344 . . . . 0.0 111.208 174.594 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.401 ' HB ' ' HA ' ' A' ' 5' ' ' GLU . 81.7 t -133.15 -40.03 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.233 177.288 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 97.1 mtt180 -82.97 109.95 17.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.184 -173.164 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.455 HD21 HG23 ' A' ' 93' ' ' VAL . 63.3 tp -107.68 111.28 23.41 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.187 -178.42 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 84.3 mt -101.83 117.96 47.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.135 176.815 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 92.8 mt -112.8 123.33 68.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.22 -173.895 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 66.5 tt0 -98.75 145.04 27.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.219 176.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 46.6 p90 -153.66 163.73 39.5 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.224 172.161 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -106.28 -135.77 8.16 Favored Glycine 0 CA--C 1.523 0.58 0 N-CA-C 111.197 -0.761 . . . . 0.0 111.197 -173.485 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 98.1 mtt180 -109.09 -32.52 7.2 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.813 0.339 . . . . 0.0 111.21 179.206 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 99.3 m-20 -72.4 -17.02 61.84 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.188 177.328 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 33.1 p90 -149.02 155.03 40.19 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.157 178.268 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 91.4 p -144.39 160.31 41.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.173 -171.795 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 40.8 t -107.62 119.33 39.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.214 179.167 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 88.1 tt0 -144.89 120.67 10.55 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.154 -179.605 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 76.5 m-85 -121.41 26.8 8.65 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.186 -177.503 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 69.1 mm-40 -54.35 -52.89 60.16 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.178 -179.583 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 86.3 t60 -66.11 -42.63 88.96 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.251 -179.402 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 66.4 tp -53.98 -51.95 62.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.206 -179.585 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 54.8 t -69.46 -40.04 79.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.228 -177.484 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 71.6 tp60 -64.67 -35.06 79.82 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.185 179.509 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -69.62 -42.33 74.49 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.185 177.008 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 94.9 mtt-85 -73.52 -24.27 60.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.196 179.65 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 84.99 31.94 22.1 Favored Glycine 0 CA--C 1.523 0.563 0 N-CA-C 111.262 -0.735 . . . . 0.0 111.262 -179.859 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -94.9 -162.2 34.63 Favored Glycine 0 CA--C 1.522 0.516 0 N-CA-C 111.25 -0.74 . . . . 0.0 111.25 -179.216 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 97.3 mm-40 -113.73 161.8 17.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.738 0.304 . . . . 0.0 111.241 179.511 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 33.2 ptt-85 -160.01 144.78 14.88 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.226 176.046 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -162.45 143.49 10.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.24 -171.519 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 75.0 m -83.19 124.96 31.04 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.175 171.805 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 80.1 mt-30 -133.47 153.32 51.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.202 -175.063 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -113.05 104.85 12.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.182 -174.151 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 65.9 mt -119.97 128.86 25.64 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.215 -175.034 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . 0.402 ' HB2' ' HB2' ' A' ' 74' ' ' GLN . 77.7 Cg_exo -52.47 117.92 4.14 Favored 'Trans proline' 0 N--CA 1.458 -0.568 0 C-N-CA 121.658 1.572 . . . . 0.0 111.22 179.899 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 94.6 mt -63.83 -41.88 94.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.21 176.025 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 16.0 p-10 -76.53 -11.4 59.87 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.205 -169.303 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . 0.402 ' HB2' ' HB2' ' A' ' 71' ' ' PRO . 98.6 mm-40 -110.06 -30.86 7.59 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.217 -177.411 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 99.0 m-85 -121.12 -35.03 3.38 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.262 -174.149 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 97.95 -1.37 59.45 Favored Glycine 0 CA--C 1.524 0.602 0 N-CA-C 111.199 -0.761 . . . . 0.0 111.199 -176.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 72.3 m -94.08 158.07 15.79 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.796 0.331 . . . . 0.0 111.203 177.86 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -65.0 140.6 42.21 Favored Glycine 0 CA--C 1.524 0.632 0 N-CA-C 111.215 -0.754 . . . . 0.0 111.215 -168.039 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 92.7 m-20 -65.53 -26.22 67.79 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.783 0.325 . . . . 0.0 111.175 177.11 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 66.6 p -135.01 69.94 1.44 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.185 169.303 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -95.93 156.11 16.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.18 -168.634 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 22.3 tpt180 -100.04 112.14 24.44 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.229 173.795 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' GLN . . . . . 0.48 ' HA ' ' O ' ' A' ' 93' ' ' VAL . 32.9 tt0 -93.13 133.13 36.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.21 -176.427 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' TYR . . . . . 0.506 ' HB2' ' HB ' ' A' ' 93' ' ' VAL . 98.5 m-85 -121.14 139.99 52.6 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.185 173.892 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 91.6 t -102.5 113.97 40.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.211 -179.511 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 93.5 mt -123.88 166.36 15.77 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.245 179.197 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 98.6 mmm 60.52 30.02 19.44 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.246 176.503 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 96.4 m-20 64.98 34.24 9.1 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.246 177.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 94.84 -3.56 67.69 Favored Glycine 0 CA--C 1.523 0.555 0 N-CA-C 111.192 -0.763 . . . . 0.0 111.192 176.248 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 99.7 mttt -80.08 -19.87 46.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.872 0.367 . . . . 0.0 111.21 -178.897 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 69.0 tp -119.73 118.8 31.85 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.184 174.379 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -104.06 99.2 8.94 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.151 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . 0.506 ' HB ' ' HB2' ' A' ' 84' ' ' TYR . 58.1 t -88.11 127.59 41.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.172 -171.839 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 67.8 mt -124.96 95.59 3.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.22 -178.073 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -89.7 131.18 10.59 Favored Glycine 0 CA--C 1.524 0.628 0 N-CA-C 111.184 -0.766 . . . . 0.0 111.184 179.78 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 82.8 t80 -166.34 143.43 5.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.822 0.344 . . . . 0.0 111.155 176.756 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 60.3 t0 -77.79 103.71 7.89 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.2 177.631 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 95.3 m-85 -95.91 149.98 20.94 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.208 -179.353 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 82.3 p -96.1 175.34 6.5 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.211 172.701 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 87.0 m -63.18 -33.62 75.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.192 176.201 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -65.03 -29.17 70.05 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.168 173.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 64.6 mtt -84.42 -21.78 30.63 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.182 177.598 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 93.5 mt-30 -66.69 -39.14 87.97 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.216 171.481 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 86.7 p -69.37 -15.05 63.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.188 177.328 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 96.6 mt -88.91 -46.77 15.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.22 173.648 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 87.2 mt -65.2 -30.24 49.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.249 -176.41 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 39.2 ptt180 -61.07 -19.32 61.27 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.209 179.124 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 71.5 m-20 -89.75 -18.72 25.8 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.152 176.913 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 109' ' ' TYR . . . . . . . . . . . . . 59.5 m-85 -119.97 67.23 0.82 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.225 -179.84 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 43.4 t -156.69 143.25 18.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.223 -177.418 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 60.9 m-20 -109.73 -31.66 7.37 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.192 174.756 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 54.7 tp -141.44 135.58 30.45 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.261 174.561 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 97.7 t -112.81 138.67 41.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.156 175.699 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 93.9 mt -121.84 129.53 75.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.23 171.42 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 32.4 t -118.94 119.78 35.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.217 -174.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 98.5 m-70 -98.07 119.64 37.06 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.24 -179.057 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . 54.19 44.25 29.41 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.207 175.283 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -166.7 157.46 29.95 Favored Glycine 0 CA--C 1.524 0.596 0 N-CA-C 111.181 -0.768 . . . . 0.0 111.181 178.857 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 69.4 p -131.83 -6.55 3.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.726 0.298 . . . . 0.0 111.168 179.898 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -64.52 -29.62 75.63 Favored Glycine 0 CA--C 1.523 0.564 0 N-CA-C 111.159 -0.776 . . . . 0.0 111.159 -178.663 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 82.6 p -71.32 -20.02 62.24 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.793 0.33 . . . . 0.0 111.155 -179.72 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 122' ' ' ILE . . . . . 0.479 ' HA ' HD13 ' A' ' 132' ' ' LEU . 94.8 mt -64.95 -33.44 63.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.169 -177.081 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 61.4 tp -46.49 -52.39 13.36 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.201 -178.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 90.9 m-20 -68.43 -45.66 71.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.146 -176.715 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 23.0 t -61.98 -57.52 11.38 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.208 -169.581 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 73.6 mt -73.66 -26.36 60.71 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.257 -173.634 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 77.2 ttt180 -63.42 -29.99 71.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.136 175.176 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 88.8 mt -97.26 9.47 42.16 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.247 177.345 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 96.3 m-20 65.01 35.06 8.37 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.152 178.047 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 130' ' ' LYS . . . . . 0.444 ' HA ' ' HD3' ' A' ' 131' ' ' PRO . 95.9 mttt -110.41 137.75 20.74 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.191 179.68 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 131' ' ' PRO . . . . . 0.444 ' HD3' ' HA ' ' A' ' 130' ' ' LYS . 50.3 Cg_exo -60.67 143.65 99.44 Favored 'Trans proline' 0 N--CA 1.458 -0.59 0 C-N-CA 121.717 1.611 . . . . 0.0 111.227 -176.732 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 132' ' ' LEU . . . . . 0.479 HD13 ' HA ' ' A' ' 122' ' ' ILE . 9.0 tt -137.57 138.91 40.06 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.177 172.185 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 68.0 mt -116.77 132.14 67.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.164 177.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 89.7 t -95.83 100.12 10.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.159 173.383 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 135' ' ' CYS . . . . . . . . . . . . . 88.1 m -98.2 128.36 44.63 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.228 176.3 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 35.9 m -125.27 157.85 33.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.241 -179.117 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 53.3 p30 . . . . . 0 C--N 1.328 -0.345 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.201 179.632 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.814 0.34 . . . . 0.0 111.184 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 85.4 m-20 -51.18 -45.11 61.68 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.209 -174.737 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 151' ' ' LYS . . . . . 0.47 ' HD3' ' HA ' ' A' ' 151' ' ' LYS . 48.1 mmtt -100.03 -35.03 9.84 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.172 -173.54 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 152' ' ' PHE . . . . . . . . . . . . . 9.8 m-30 -65.72 -32.65 74.31 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.194 -178.637 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 153' ' ' VAL . . . . . . . . . . . . . 90.5 t -94.18 -39.98 11.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.233 -178.329 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 86.7 tt0 -53.44 -44.58 68.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.142 175.387 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 155' ' ' LEU . . . . . . . . . . . . . 96.4 mt -75.44 -24.84 57.09 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.306 -0.407 . . . . 0.0 111.191 177.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . 75.34 41.89 29.55 Favored Glycine 0 CA--C 1.524 0.625 0 N-CA-C 111.179 -0.768 . . . . 0.0 111.179 179.335 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 157' ' ' TYR . . . . . . . . . . . . . 13.6 m-30 -108.61 -39.9 5.25 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.865 0.364 . . . . 0.0 111.257 -172.566 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 158' ' ' VAL . . . . . . . . . . . . . 10.4 p -156.3 146.39 11.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.16 -178.243 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 159' ' ' TRP . . . . . . . . . . . . . 51.7 m95 -82.85 162.56 21.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.183 -176.648 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 160' ' ' SER . . . . . . . . . . . . . 40.8 t -140.6 138.87 34.73 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.213 -177.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 161' ' ' CYS . . . . . . . . . . . . . 62.0 m -128.37 130.8 48.25 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.199 -177.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -86.42 159.14 53.72 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.168 171.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 163' ' ' PRO . . . . . . . . . . . . . 98.5 Cg_endo -76.38 65.36 7.25 Favored 'Trans proline' 0 N--CA 1.458 -0.586 0 C-N-CA 121.746 1.63 . . . . 0.0 111.144 -179.237 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 164' ' ' THR . . . . . . . . . . . . . 35.9 p -134.97 174.77 10.23 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.231 176.441 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 165' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -64.96 -31.08 72.14 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.172 -174.348 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 166' ' ' THR . . . . . . . . . . . . . 82.3 p -106.92 -24.27 12.08 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.215 -179.066 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 167' ' ' GLY . . . . . . . . . . . . . . . -67.81 -35.63 85.48 Favored Glycine 0 CA--C 1.523 0.55 0 N-CA-C 111.236 -0.746 . . . . 0.0 111.236 -177.573 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 168' ' ' LEU . . . . . . . . . . . . . 95.7 mt -77.02 -10.58 59.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.794 0.33 . . . . 0.0 111.197 -176.872 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 46.1 pt -120.63 -3.77 9.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.191 179.723 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 170' ' ' ALA . . . . . . . . . . . . . . . -62.18 -42.07 98.93 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.17 175.551 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 171' ' ' GLY . . . . . . . . . . . . . . . -70.35 -34.51 68.82 Favored Glycine 0 CA--C 1.523 0.587 0 N-CA-C 111.171 -0.772 . . . . 0.0 111.171 177.7 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 80.3 mt -63.99 -36.17 83.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.814 0.34 . . . . 0.0 111.221 179.141 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 173' ' ' ARG . . . . . . . . . . . . . 17.5 tpp85 -79.82 -36.48 36.85 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.239 175.44 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -66.42 -27.91 68.2 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.162 -178.661 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 41.6 p -60.06 -24.93 64.97 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.198 178.811 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 176' ' ' GLN . . . . . . . . . . . . . 90.6 mm-40 -102.51 7.0 40.27 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.215 -178.765 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 177' ' ' THR . . . . . . . . . . . . . 88.7 m -104.11 -52.1 3.01 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.205 -175.022 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 178' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -129.63 151.26 50.43 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.233 -178.511 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 179' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -86.67 134.38 33.61 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.15 178.273 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 180' ' ' LEU . . . . . . . . . . . . . 99.2 mt . . . . . 0 C--N 1.328 -0.343 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.204 -178.697 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.738 0.304 . . . . 0.0 111.176 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 75.0 mmtt -89.06 157.6 18.28 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.167 -177.094 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -122.18 134.57 54.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.155 -175.822 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 95.1 mt -97.93 143.25 28.71 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.238 174.653 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 1.2 t80 -118.06 94.97 4.7 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.196 177.458 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 93.9 t -100.23 122.87 52.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.275 -174.441 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 98.9 m -130.93 130.06 42.97 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.154 173.799 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 81.0 m -114.97 145.02 42.68 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.26 -178.109 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -79.88 172.33 54.8 Favored Glycine 0 CA--C 1.523 0.55 0 N-CA-C 111.179 -0.768 . . . . 0.0 111.179 176.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -93.34 -14.18 27.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.758 0.313 . . . . 0.0 111.141 -177.917 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 98.3 m -57.45 -49.51 76.02 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.223 -179.319 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.458 ' HB ' HD11 ' A' ' 21' ' ' LEU . 87.8 t -96.65 135.4 22.3 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.208 175.239 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 74.5 Cg_exo -46.67 132.21 16.45 Favored 'Trans proline' 0 N--CA 1.457 -0.662 0 C-N-CA 121.644 1.563 . . . . 0.0 111.259 -178.421 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . 0.561 ' N ' ' CD ' ' A' ' 19' ' ' PRO . 41.7 m-85 -63.52 -40.59 59.63 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.209 -175.678 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . 0.561 ' CD ' ' N ' ' A' ' 18' ' ' PHE . 87.4 Cg_exo -51.65 -32.41 44.74 Favored 'Trans proline' 0 N--CA 1.458 -0.588 0 C-N-CA 121.789 1.66 . . . . 0.0 111.165 178.376 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 97.4 mttt -78.49 -28.52 46.4 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.192 177.47 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.458 HD11 ' HB ' ' A' ' 16' ' ' VAL . 89.4 mt -91.6 -5.12 54.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.252 -171.798 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 33.0 m -104.21 -12.74 9.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.244 175.78 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 75.7 p -68.68 -16.33 63.79 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.158 179.83 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 73.2 m -86.93 -15.92 37.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.25 -178.109 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 35.5 m -117.07 -7.97 12.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.238 -175.633 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.409 ' HB3' ' HD2' ' A' ' 61' ' ' ARG . 97.5 mt -111.99 5.2 18.63 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.203 -178.245 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 52.4 p -73.69 151.51 40.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.141 -178.407 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 98.8 m-20 -66.01 -35.24 80.02 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.185 -176.542 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 77.2 mm-40 -70.25 -42.65 71.91 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.213 178.1 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.423 ' CE2' HD11 ' A' ' 34' ' ' LEU . 90.0 t80 -59.68 -51.4 69.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.152 -178.598 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 84.4 m -63.0 -31.67 72.86 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.165 -173.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 65.4 tt0 -76.58 -39.66 51.96 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.178 179.832 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 65.6 mm-40 -64.66 -30.93 71.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.226 -177.528 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.423 HD11 ' CE2' ' A' ' 30' ' ' PHE . 86.2 mt -56.11 -33.0 64.7 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.224 178.866 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 95.8 mt -61.25 -39.87 84.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.183 -175.442 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 86.5 mt-30 -84.07 -13.37 53.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.131 -178.371 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 14.9 m-30 -87.9 -26.08 22.92 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.229 177.725 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 101.53 13.78 31.76 Favored Glycine 0 CA--C 1.524 0.595 0 N-CA-C 111.142 -0.783 . . . . 0.0 111.142 179.715 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 64.8 m-85 -94.62 124.84 38.9 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.754 0.311 . . . . 0.0 111.18 179.893 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 98.4 t -120.11 -40.04 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.179 -176.883 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 43.5 ttp180 -96.04 129.93 43.18 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.203 179.865 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 64.0 tp -123.65 107.05 11.07 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.284 175.283 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 91.3 mt -103.58 122.59 56.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.175 -178.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 80.6 mt -114.84 116.1 51.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.189 -178.369 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 14.2 tm0? -109.98 104.06 12.91 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.18 -172.694 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 19.3 m-30 -110.72 178.22 4.43 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.284 178.123 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -83.91 -136.48 3.11 Favored Glycine 0 CA--C 1.524 0.639 0 N-CA-C 111.194 -0.763 . . . . 0.0 111.194 -172.685 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . 0.404 ' O ' ' CB ' ' A' ' 49' ' ' ASN . 79.4 ttt180 -74.03 88.32 1.89 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.783 0.325 . . . . 0.0 111.231 -168.393 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . 0.404 ' CB ' ' O ' ' A' ' 48' ' ' ARG . 97.0 m-20 87.12 86.15 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.162 167.24 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 97.3 m-85 -138.76 -21.71 0.98 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.23 171.692 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 50.0 m -55.97 -31.02 62.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.188 175.422 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 90.8 p -74.27 -19.68 60.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.218 179.176 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 76.6 mm-40 -81.36 -31.98 33.11 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.213 174.606 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.434 ' HA ' ' HB2' ' A' ' 57' ' ' LEU . 37.2 m-85 -65.18 -20.43 66.44 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.197 175.72 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -59.78 -29.4 68.17 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.201 176.162 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 97.5 m-70 -104.43 -21.36 13.48 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.196 -177.801 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.434 ' HB2' ' HA ' ' A' ' 54' ' ' PHE . 87.5 mt -66.45 -39.93 89.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.211 174.207 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 6.4 p -69.17 -25.47 29.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.173 177.314 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 91.2 mt-30 -72.03 -35.57 69.42 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.202 175.37 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -71.52 -31.28 66.89 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.231 173.227 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . 0.409 ' HD2' ' HB3' ' A' ' 26' ' ' LEU . 5.7 mmp_? -79.99 -25.9 40.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.235 179.572 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 86.87 30.64 20.16 Favored Glycine 0 CA--C 1.524 0.594 0 N-CA-C 111.224 -0.751 . . . . 0.0 111.224 177.339 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -95.3 -165.83 35.17 Favored Glycine 0 CA--C 1.523 0.583 0 N-CA-C 111.254 -0.738 . . . . 0.0 111.254 178.871 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 64.3 tp60 -125.12 120.03 30.26 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.769 0.318 . . . . 0.0 111.211 177.503 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 67.1 ttp85 -80.08 128.82 33.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.208 174.428 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 56.7 mt-10 -141.92 60.9 1.47 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.203 177.585 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 30.8 t -60.93 129.89 43.7 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.149 -176.556 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 92.4 mm-40 -112.99 165.01 12.75 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.221 177.261 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -84.95 81.64 8.81 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.214 176.018 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.431 ' HA ' ' HD3' ' A' ' 71' ' ' PRO . 97.4 mt -61.91 122.6 73.05 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.218 -173.336 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . 0.431 ' HD3' ' HA ' ' A' ' 70' ' ' ILE . 53.0 Cg_exo -59.95 146.4 95.98 Favored 'Trans proline' 0 N--CA 1.458 -0.574 0 C-N-CA 121.69 1.593 . . . . 0.0 111.201 -179.163 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 96.7 mt -74.03 -42.09 52.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.247 173.147 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 98.9 m-20 -67.05 -35.02 78.96 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.139 -177.512 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 64.8 tp60 -77.38 -61.09 2.1 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.212 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 56.0 t80 -101.56 -59.72 1.65 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.234 -178.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 123.15 39.53 0.51 Allowed Glycine 0 CA--C 1.523 0.556 0 N-CA-C 111.167 -0.773 . . . . 0.0 111.167 -173.718 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 12.0 t -140.05 -174.7 4.0 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.821 0.343 . . . . 0.0 111.149 179.464 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -127.16 -134.0 3.89 Favored Glycine 0 CA--C 1.523 0.552 0 N-CA-C 111.194 -0.763 . . . . 0.0 111.194 176.538 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 53.3 p-10 -104.96 23.76 13.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.77 0.319 . . . . 0.0 111.219 177.669 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 59.5 p -93.8 -18.25 22.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.233 179.72 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -77.3 159.52 29.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.196 178.034 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 90.1 mmt-85 -131.35 120.02 22.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.146 -179.837 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 81.7 mt-30 -95.71 140.91 29.83 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.221 -179.352 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 76.9 m-85 -136.21 135.89 39.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.243 -175.661 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 97.5 t -103.27 117.7 49.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.24 178.621 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 91.2 mt -122.73 160.35 26.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.214 177.869 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 84.6 mmm 61.96 29.96 17.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.21 175.177 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 96.5 m-20 65.02 34.71 8.62 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.218 177.185 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 96.17 -0.88 62.36 Favored Glycine 0 CA--C 1.523 0.584 0 N-CA-C 111.213 -0.755 . . . . 0.0 111.213 174.599 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -82.1 -20.85 37.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.814 0.34 . . . . 0.0 111.157 -178.843 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 67.2 tp -127.45 120.51 28.56 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.168 175.871 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 47.1 tptt -104.1 111.06 23.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.151 176.78 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 57.7 t -110.14 124.99 67.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.162 -177.588 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 60.0 mt -126.41 122.84 62.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.207 -179.625 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -93.22 140.07 14.89 Favored Glycine 0 CA--C 1.524 0.619 0 N-CA-C 111.182 -0.767 . . . . 0.0 111.182 178.519 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 91.5 m-85 -125.56 149.76 48.06 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.828 0.347 . . . . 0.0 111.168 176.655 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 96.2 m-20 -104.31 32.25 4.14 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.208 173.433 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 7.5 m-30 -64.97 147.22 53.84 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.223 -173.565 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 60.3 p -74.9 -177.27 3.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.262 177.823 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 75.8 p -73.81 -7.23 51.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.238 174.149 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 96.4 mttt -98.75 -40.51 8.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.235 173.586 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 92.2 mtp -74.96 -15.28 60.68 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.168 -176.729 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 29.7 pt20 -63.65 -20.01 65.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.198 -179.679 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 93.3 p -66.16 -22.05 66.35 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.269 176.508 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 96.0 mt -66.6 -55.37 18.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.139 173.518 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 82.2 mt -61.77 -33.31 57.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.21 179.61 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 61.1 ttp180 -48.01 -39.64 20.28 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.211 177.161 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 98.0 m-20 -77.05 -9.85 58.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.149 -173.523 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 109' ' ' TYR . . . . . . . . . . . . . 77.6 m-85 -115.27 40.72 2.61 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.14 -175.723 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 87.2 p -140.02 154.82 47.23 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.176 -173.384 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 54.3 m-20 -116.7 -31.09 5.6 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.165 175.819 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . 0.405 ' C ' HD21 ' A' ' 112' ' ' LEU . 10.4 tt -138.22 130.06 28.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.181 177.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 95.8 t -103.6 135.36 41.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.191 -172.698 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 80.7 mt -126.9 116.77 45.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.19 -176.355 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 21.1 t -107.69 116.25 31.6 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.172 -176.03 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 116' ' ' HIS . . . . . 0.413 ' HB3' HD23 ' A' ' 21' ' ' LEU . 43.4 m170 -101.35 123.71 45.86 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.2 178.596 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . 52.86 47.8 23.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.214 172.499 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 178.37 171.35 41.59 Favored Glycine 0 CA--C 1.522 0.516 0 N-CA-C 111.17 -0.772 . . . . 0.0 111.17 179.603 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 70.9 p -132.21 -2.84 3.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.853 0.359 . . . . 0.0 111.178 -176.871 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -60.8 -34.1 85.61 Favored Glycine 0 CA--C 1.523 0.549 0 N-CA-C 111.176 -0.77 . . . . 0.0 111.176 -174.778 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 87.5 p -87.1 -10.13 53.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.775 0.321 . . . . 0.0 111.19 -174.453 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 122' ' ' ILE . . . . . . . . . . . . . 84.8 mt -74.33 -41.85 50.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.211 -173.776 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 50.5 tp -63.73 -35.38 80.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.22 176.274 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 99.6 m-20 -66.48 -38.9 88.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.182 176.005 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 31.8 t -63.98 -37.77 88.64 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.248 174.359 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 61.5 tp -63.71 -44.04 94.8 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.236 177.508 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -67.99 -33.74 75.21 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.197 176.72 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 18.0 tp -72.91 -24.67 60.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.192 174.582 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 78.5 m-20 69.57 42.32 1.14 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.199 179.711 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 39.7 mmtm -119.95 157.46 52.66 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.186 179.176 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_exo -54.4 148.82 40.67 Favored 'Trans proline' 0 N--CA 1.457 -0.622 0 C-N-CA 121.68 1.587 . . . . 0.0 111.242 178.12 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 132' ' ' LEU . . . . . 0.526 ' C ' HD13 ' A' ' 132' ' ' LEU . 3.3 tm? -139.1 114.72 9.89 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.201 -166.721 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 76.4 mt -104.71 139.28 26.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.218 177.037 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 98.0 t -118.55 123.91 72.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.224 175.316 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 135' ' ' CYS . . . . . 0.423 ' HA ' ' HB3' ' A' ' 161' ' ' CYS . 52.6 t -103.16 127.43 50.46 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.207 177.194 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 30.6 m -88.44 170.23 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.14 179.211 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 36.6 p30 . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.238 179.895 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.076 0 CA-C-O 120.793 0.33 . . . . 0.0 111.185 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 94.0 m-20 -62.92 -38.78 92.32 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.23 176.793 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 151' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -69.38 -33.97 73.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.166 179.172 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 152' ' ' PHE . . . . . . . . . . . . . 12.2 m-30 -63.18 -36.92 85.24 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.208 174.588 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 153' ' ' VAL . . . . . . . . . . . . . 65.2 t -65.87 -38.95 83.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.207 173.289 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -64.44 -31.32 72.48 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.267 178.68 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 155' ' ' LEU . . . . . . . . . . . . . 85.1 mt -64.78 -41.89 95.51 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.188 176.681 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . 95.43 3.91 61.11 Favored Glycine 0 CA--C 1.523 0.59 0 N-CA-C 111.223 -0.751 . . . . 0.0 111.223 166.172 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 157' ' ' TYR . . . . . 0.434 ' CD2' ' O ' ' A' ' 157' ' ' TYR . 67.6 t80 -146.0 25.05 1.3 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.785 0.326 . . . . 0.0 111.173 178.826 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 158' ' ' VAL . . . . . . . . . . . . . 60.7 t -136.77 118.06 18.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.215 -177.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 159' ' ' TRP . . . . . . . . . . . . . 22.1 m95 -87.66 144.06 26.85 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.211 168.276 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 160' ' ' SER . . . . . . . . . . . . . 45.6 t -101.73 108.91 20.57 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.207 -176.446 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 161' ' ' CYS . . . . . 0.423 ' HB3' ' HA ' ' A' ' 135' ' ' CYS . 15.7 t -99.94 125.08 45.9 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.183 175.713 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -72.36 155.04 91.74 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.234 176.712 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 163' ' ' PRO . . . . . . . . . . . . . 86.9 Cg_endo -78.35 60.01 7.32 Favored 'Trans proline' 0 N--CA 1.458 -0.577 0 C-N-CA 121.76 1.64 . . . . 0.0 111.136 -179.241 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 164' ' ' THR . . . . . . . . . . . . . 24.1 p -133.76 -176.92 4.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.224 177.338 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 165' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -82.82 -4.09 57.58 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.155 176.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 166' ' ' THR . . . . . . . . . . . . . 75.4 p -127.09 -8.6 5.94 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.19 -176.331 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 167' ' ' GLY . . . . . . . . . . . . . . . -61.81 -38.59 96.22 Favored Glycine 0 CA--C 1.523 0.567 0 N-CA-C 111.177 -0.769 . . . . 0.0 111.177 -179.087 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 168' ' ' LEU . . . . . . . . . . . . . 26.5 tp -70.83 -31.17 67.8 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.793 0.33 . . . . 0.0 111.158 -179.428 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 96.7 mt -57.58 -44.86 85.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.188 175.598 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 170' ' ' ALA . . . . . . . . . . . . . . . -64.66 -35.08 79.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.229 178.913 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 171' ' ' GLY . . . . . . . . . . . . . . . -62.82 -42.27 99.71 Favored Glycine 0 CA--C 1.523 0.575 0 N-CA-C 111.182 -0.767 . . . . 0.0 111.182 176.855 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 85.2 mt -66.95 -34.88 78.73 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.878 0.37 . . . . 0.0 111.183 177.703 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 173' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -65.23 -38.46 90.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.254 173.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -66.49 -36.76 83.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.227 -179.379 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 60.0 p -65.04 -22.58 67.0 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.139 -179.274 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 176' ' ' GLN . . . . . . . . . . . . . 92.5 mm-40 -100.21 -27.21 13.63 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.122 -177.423 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 177' ' ' THR . . . . . . . . . . . . . 95.7 m -73.6 -47.25 41.8 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.197 178.435 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 178' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -127.75 156.93 41.66 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.152 -176.439 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 179' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -105.0 135.42 46.38 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.274 -177.468 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 180' ' ' LEU . . . . . . . . . . . . . 97.7 mt . . . . . 0 C--N 1.328 -0.341 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.186 178.806 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . 0.406 ' HB3' HG21 ' A' ' 40' ' ' VAL . 61.3 mt-10 . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.81 0.338 . . . . 0.0 111.223 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 36.4 ttmt -54.72 120.18 6.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.127 -178.388 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . 0.439 ' HA ' ' O ' ' A' ' 41' ' ' ARG . . . -107.83 131.47 54.45 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.185 -165.92 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 59.5 tp -118.17 115.69 25.3 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.237 -177.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 86.8 t80 -93.93 125.18 38.4 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.194 -175.372 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 72.7 t -107.17 109.55 28.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.215 174.109 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 88.2 m -69.11 134.28 49.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.232 -179.651 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 77.9 m -131.66 65.41 1.57 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.197 171.556 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -85.44 -164.92 39.62 Favored Glycine 0 CA--C 1.522 0.503 0 N-CA-C 111.195 -0.762 . . . . 0.0 111.195 -175.304 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -67.52 -25.81 66.02 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.816 0.341 . . . . 0.0 111.206 -175.89 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 71.4 p -105.48 4.79 30.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.204 -176.157 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 59.9 t -124.73 104.24 30.7 Favored Pre-proline 0 C--N 1.328 -0.36 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.18 179.52 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . 0.41 ' HB2' ' HB2' ' A' ' 20' ' ' LYS . 50.4 Cg_exo -55.77 141.7 84.37 Favored 'Trans proline' 0 N--CA 1.458 -0.573 0 C-N-CA 121.708 1.605 . . . . 0.0 111.187 177.893 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . 0.572 ' HB3' ' HD3' ' A' ' 19' ' ' PRO . 51.1 t80 -65.8 -52.23 43.41 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.216 -173.229 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . 0.572 ' HD3' ' HB3' ' A' ' 18' ' ' PHE . 70.3 Cg_endo -75.48 -21.67 14.75 Favored 'Trans proline' 0 N--CA 1.457 -0.639 0 C-N-CA 121.699 1.599 . . . . 0.0 111.251 -172.556 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.41 ' HB2' ' HB2' ' A' ' 17' ' ' PRO . 87.6 tttt -55.17 -44.01 74.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.216 -175.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 75.3 mt -109.85 -34.44 6.44 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.24 -174.023 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 53.7 t -69.1 -45.88 79.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.177 -173.197 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 59.6 p -66.98 -16.42 64.34 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.192 -176.435 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . 0.478 ' SG ' ' HB3' ' A' ' 165' ' ' GLU . 80.9 m -90.96 -45.85 8.5 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.217 177.882 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 55.4 t -60.78 -29.87 46.03 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.229 177.085 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 77.6 mt -98.96 16.31 22.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.163 -178.344 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 48.8 p -73.37 163.69 27.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.216 175.46 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 99.2 m-20 -62.01 -31.36 71.74 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.177 178.449 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -76.65 -47.36 22.41 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.262 -178.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 7.6 m-85 -65.7 -44.94 84.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.215 -177.406 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 63.9 m -60.65 -41.79 95.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.223 -178.779 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 66.6 tt0 -61.63 -45.98 91.74 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.154 176.419 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 73.1 mm-40 -64.74 -37.85 88.99 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.165 179.17 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 69.5 mt -65.78 -41.42 92.03 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.233 -177.24 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 35.8 mm -57.91 -38.04 64.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.25 173.729 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 99.3 mm-40 -75.0 -25.76 59.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.193 177.643 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 21.9 m-30 -87.8 -8.9 55.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.219 179.809 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 100.95 -3.66 55.8 Favored Glycine 0 CA--C 1.524 0.598 0 N-CA-C 111.218 -0.753 . . . . 0.0 111.218 174.044 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 83.2 m-85 -81.92 117.85 22.49 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.843 0.354 . . . . 0.0 111.164 -178.346 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.406 HG21 ' HB3' ' A' ' 5' ' ' GLU . 30.2 m -131.49 -6.78 2.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.112 -173.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . 0.439 ' O ' ' HA ' ' A' ' 7' ' ' ALA . 35.6 ttm180 -123.05 92.42 3.7 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.138 178.861 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 30.2 mt -92.57 135.15 34.32 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.21 -176.232 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 86.0 mt -115.37 113.4 43.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.152 -176.267 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 47.6 mm -112.74 113.76 45.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.23 -174.189 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 59.9 tt0 -76.14 126.91 31.86 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.176 174.38 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 8.6 m-30 -73.25 140.44 46.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.246 175.088 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -95.1 -146.69 21.32 Favored Glycine 0 CA--C 1.524 0.619 0 N-CA-C 111.126 -0.79 . . . . 0.0 111.126 178.32 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . 0.663 ' O ' ' CB ' ' A' ' 49' ' ' ASN . 59.0 ttt85 -81.81 60.07 4.54 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.833 0.349 . . . . 0.0 111.267 178.595 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . 0.663 ' CB ' ' O ' ' A' ' 48' ' ' ARG . 60.7 t30 106.92 67.99 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.189 172.157 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 98.5 m-85 -134.83 14.12 3.64 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.143 178.512 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 74.3 m -61.13 -47.56 85.67 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.196 176.423 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 93.9 p -82.5 -20.85 35.97 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.241 179.468 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 77.0 mm-40 -69.12 -42.96 75.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.186 177.718 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.51 ' HD1' ' O ' ' A' ' 54' ' ' PHE . 1.1 t80 -68.1 -39.83 82.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.213 173.014 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 83.0 tt0 -52.94 -39.86 63.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.198 173.68 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 62.8 m170 -66.93 -34.85 78.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.222 -179.156 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 91.7 mt -63.06 -33.7 76.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.226 -176.908 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 96.2 t -96.67 -36.73 6.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.17 -176.13 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 72.8 tp60 -64.9 -37.9 89.19 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.193 179.554 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -71.23 -30.82 66.82 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.2 177.245 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -71.98 -28.89 63.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.257 174.114 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 89.78 29.31 16.18 Favored Glycine 0 CA--C 1.523 0.541 0 N-CA-C 111.157 -0.777 . . . . 0.0 111.157 179.377 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -86.1 -168.28 44.59 Favored Glycine 0 CA--C 1.523 0.554 0 N-CA-C 111.268 -0.733 . . . . 0.0 111.268 179.058 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 97.7 mm-40 -109.69 165.28 11.8 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.838 0.351 . . . . 0.0 111.225 178.439 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 47.6 ptt85 -167.31 154.71 8.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.179 -176.087 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 88.3 tt0 -159.7 130.9 5.96 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.234 177.8 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 74.6 m -69.89 145.29 52.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.141 -178.665 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 91.8 mm-40 -124.89 145.11 49.98 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.169 -173.625 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -93.41 70.29 4.31 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.221 176.464 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 41.4 mm -71.28 131.17 86.98 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.202 -176.007 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -72.71 139.81 31.41 Favored 'Trans proline' 0 N--CA 1.458 -0.586 0 C-N-CA 121.706 1.604 . . . . 0.0 111.17 -176.464 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 96.4 mt -82.88 -43.03 18.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.191 178.438 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 99.1 m-20 -68.09 -40.09 82.73 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.168 -177.681 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 71.3 tp60 -85.03 -65.35 1.02 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.213 -176.909 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 48.2 t80 -80.73 -45.72 16.63 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.212 -171.195 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 115.68 16.0 7.17 Favored Glycine 0 CA--C 1.522 0.528 0 N-CA-C 111.205 -0.758 . . . . 0.0 111.205 170.761 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' CYS . . . . . 0.469 ' SG ' HD13 ' A' ' 106' ' ' ILE . 86.9 m -131.27 160.09 35.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.76 0.314 . . . . 0.0 111.192 179.599 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -77.22 178.93 50.97 Favored Glycine 0 CA--C 1.523 0.558 0 N-CA-C 111.187 -0.765 . . . . 0.0 111.187 -178.4 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 58.8 p-10 -92.31 15.12 14.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.797 0.332 . . . . 0.0 111.175 -176.654 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 73.4 p -92.75 2.63 56.64 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.159 174.539 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -66.46 154.56 39.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.173 176.221 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 41.4 ttm180 -145.88 132.73 20.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.216 -176.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 59.8 tt0 -84.72 135.59 34.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.166 176.353 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 97.0 m-85 -120.15 147.28 45.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.21 174.62 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 92.8 t -113.76 118.78 59.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.163 -174.513 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 94.9 mt -125.13 169.64 11.99 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.19 179.724 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 97.3 mmm 60.03 30.01 19.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.172 176.834 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 96.4 m-20 64.88 34.58 9.08 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.194 176.019 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 97.32 -5.06 62.65 Favored Glycine 0 CA--C 1.523 0.547 0 N-CA-C 111.247 -0.741 . . . . 0.0 111.247 175.102 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -80.01 -25.7 40.15 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.781 0.324 . . . . 0.0 111.219 -178.713 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 46.1 tp -119.91 123.84 44.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.142 -176.765 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -105.13 116.34 31.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.166 176.099 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 39.2 t -121.76 114.58 43.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.134 -179.501 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 67.3 mt -113.1 125.71 70.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.17 -174.921 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -88.48 132.02 10.99 Favored Glycine 0 CA--C 1.524 0.619 0 N-CA-C 111.228 -0.749 . . . . 0.0 111.228 174.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 95.9 m-85 -119.4 145.65 46.04 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.773 0.32 . . . . 0.0 111.151 -174.665 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 65.8 t0 -105.9 102.74 12.16 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.233 176.646 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 39.0 p90 -159.53 155.04 25.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.209 -178.422 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 59.8 p -85.58 -178.53 6.69 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.243 -173.225 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 82.7 p -73.5 -14.65 61.26 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.2 179.6 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -85.39 -10.69 55.92 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.128 177.905 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 67.5 mtt -105.0 3.05 30.19 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.164 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 90.0 mt-30 -65.77 -41.89 91.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.167 179.449 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 65.1 m -61.47 -32.47 72.48 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.188 178.212 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 96.5 mt -71.74 -50.3 39.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.256 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . 0.469 HD13 ' SG ' ' A' ' 77' ' ' CYS . 17.8 tt -70.37 -21.29 23.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.143 -177.104 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 96.1 mtt180 -72.08 -10.49 59.85 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.113 178.889 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -75.55 -12.49 60.23 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.144 170.718 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 109' ' ' TYR . . . . . . . . . . . . . 94.0 m-85 -112.44 36.99 3.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.22 179.886 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 91.7 p -145.11 160.05 42.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.213 -177.434 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 64.7 m-20 -110.56 -39.66 4.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.213 -179.225 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 59.4 tp -125.99 121.98 34.61 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.207 177.118 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 99.1 t -94.86 136.05 27.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.219 -179.295 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 86.3 mt -112.24 124.75 69.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.232 172.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 43.1 t -140.06 143.12 36.19 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.215 174.408 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 52.3 t-80 -76.72 153.19 35.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.191 161.656 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -61.41 135.44 57.69 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.2 176.014 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 111.7 32.74 2.4 Favored Glycine 0 CA--C 1.524 0.636 0 N-CA-C 111.196 -0.762 . . . . 0.0 111.196 177.15 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 43.8 p -125.03 -26.69 3.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.773 0.321 . . . . 0.0 111.199 -179.536 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 79.73 10.05 86.16 Favored Glycine 0 CA--C 1.523 0.536 0 N-CA-C 111.18 -0.768 . . . . 0.0 111.18 -175.922 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 68.9 m -70.59 -20.14 62.8 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.821 0.343 . . . . 0.0 111.19 -173.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 122' ' ' ILE . . . . . . . . . . . . . 7.8 tp -53.11 -30.84 17.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.146 176.115 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 98.2 mt -82.25 -24.4 34.81 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.208 178.915 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 35.8 t70 -74.65 -42.37 58.64 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.247 174.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 83.0 p -65.16 -25.4 67.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.23 177.125 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 65.7 tp -64.76 -55.37 20.24 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.175 175.81 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 37.6 ptt180 -68.52 -20.32 64.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.209 -179.861 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 97.7 mt -83.65 -26.79 29.6 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.187 172.178 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 77.7 m-20 61.41 39.23 15.4 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.132 -174.458 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 130' ' ' LYS . . . . . 0.421 ' HA ' ' HD3' ' A' ' 131' ' ' PRO . 96.6 mttt -121.03 145.68 42.28 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.191 -172.204 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 131' ' ' PRO . . . . . 0.421 ' HD3' ' HA ' ' A' ' 130' ' ' LYS . 77.2 Cg_exo -55.0 143.68 72.0 Favored 'Trans proline' 0 N--CA 1.457 -0.631 0 C-N-CA 121.673 1.582 . . . . 0.0 111.296 -179.266 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 58.1 tp -139.32 120.25 14.46 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.229 -176.357 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 89.9 mt -81.71 124.92 39.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.227 166.931 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 95.4 t -116.64 111.57 35.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.221 179.405 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 135' ' ' CYS . . . . . . . . . . . . . 50.0 t -92.51 115.52 28.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.201 176.035 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 25.5 m -77.18 161.11 4.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.167 -171.603 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 46.3 p30 . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.149 177.857 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.838 0.352 . . . . 0.0 111.203 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 99.5 m-20 -64.99 -30.93 71.95 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.174 176.515 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 151' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -71.39 -33.04 69.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.232 175.603 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 152' ' ' PHE . . . . . . . . . . . . . 11.8 m-30 -72.97 -28.17 62.25 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.259 176.826 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 153' ' ' VAL . . . . . . . . . . . . . 53.6 t -61.09 -35.73 67.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.245 169.771 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 76.6 mm-40 -69.31 -30.14 68.14 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.154 177.2 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 155' ' ' LEU . . . . . . . . . . . . . 82.9 mt -64.71 -26.82 68.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.173 177.468 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . 105.34 -31.39 8.56 Favored Glycine 0 CA--C 1.523 0.586 0 N-CA-C 111.192 -0.763 . . . . 0.0 111.192 164.143 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 157' ' ' TYR . . . . . 0.401 ' HB2' ' HA ' ' A' ' 131' ' ' PRO . 17.4 p90 -139.08 8.14 2.48 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.839 0.352 . . . . 0.0 111.194 -173.24 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 158' ' ' VAL . . . . . . . . . . . . . 58.7 t -109.06 140.07 29.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.226 -178.75 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 159' ' ' TRP . . . . . . . . . . . . . 66.2 t-105 -133.45 133.09 41.86 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.206 177.709 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 160' ' ' SER . . . . . . . . . . . . . 30.0 t -83.22 130.19 35.07 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.206 177.686 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 161' ' ' CYS . . . . . . . . . . . . . 88.6 m -115.02 149.09 38.0 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.211 172.01 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -60.28 156.34 40.83 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.178 -175.575 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 163' ' ' PRO . . . . . . . . . . . . . 78.3 Cg_endo -74.95 70.27 5.3 Favored 'Trans proline' 0 N--CA 1.459 -0.555 0 C-N-CA 121.675 1.583 . . . . 0.0 111.204 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 164' ' ' THR . . . . . . . . . . . . . 14.8 t -152.63 169.07 23.6 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.217 178.89 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 165' ' ' GLU . . . . . 0.478 ' HB3' ' SG ' ' A' ' 24' ' ' CYS . 98.6 mt-10 -71.25 -32.68 69.02 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.156 -168.363 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 166' ' ' THR . . . . . . . . . . . . . 62.2 p -112.17 24.33 12.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.175 -174.647 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 167' ' ' GLY . . . . . . . . . . . . . . . -79.97 -9.67 86.44 Favored Glycine 0 CA--C 1.523 0.542 0 N-CA-C 111.167 -0.773 . . . . 0.0 111.167 -179.679 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 168' ' ' LEU . . . . . . . . . . . . . 93.5 mt -64.25 -25.89 68.26 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.782 0.325 . . . . 0.0 111.177 -175.149 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 169' ' ' ILE . . . . . 0.413 HD13 ' HA ' ' A' ' 169' ' ' ILE . 10.4 tp -62.92 -22.83 31.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.147 -175.788 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 170' ' ' ALA . . . . . . . . . . . . . . . -64.99 -42.59 94.39 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.194 177.503 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 171' ' ' GLY . . . . . . . . . . . . . . . -76.49 -33.29 48.43 Favored Glycine 0 CA--C 1.522 0.531 0 N-CA-C 111.222 -0.751 . . . . 0.0 111.222 179.129 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 98.1 mt -65.78 -36.6 83.98 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.855 0.36 . . . . 0.0 111.271 177.233 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 173' ' ' ARG . . . . . . . . . . . . . 79.4 ttt180 -72.83 -38.57 67.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.157 173.504 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -61.3 -35.54 77.62 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.182 -178.358 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 52.5 p -63.17 -23.72 67.56 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.216 179.18 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 176' ' ' GLN . . . . . . . . . . . . . 92.5 mm-40 -100.88 -25.7 14.0 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.236 -178.453 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 177' ' ' THR . . . . . . . . . . . . . 90.5 m -65.98 -41.21 91.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.24 177.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 178' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -148.16 135.79 20.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.196 -179.881 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 179' ' ' LYS . . . . . . . . . . . . . 88.9 tttt -58.03 121.18 9.99 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.138 178.121 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 180' ' ' LEU . . . . . . . . . . . . . 97.4 mt . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.181 -179.579 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 33.8 mt-10 . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.851 0.358 . . . . 0.0 111.159 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 43.6 tptt -50.04 109.99 0.35 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.204 -171.854 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -109.11 128.21 54.8 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.131 -167.354 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 61.2 tp -109.05 111.58 23.3 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.187 176.57 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . 0.439 ' HA ' ' HB ' ' A' ' 43' ' ' ILE . 43.9 t80 -89.82 110.02 20.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.208 -176.111 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 62.1 t -115.86 127.29 73.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.226 178.849 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 30.8 m -124.45 129.99 51.66 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.231 169.654 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 95.6 m -81.63 146.14 30.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.224 -177.221 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -80.54 176.58 54.63 Favored Glycine 0 CA--C 1.523 0.539 0 N-CA-C 111.211 -0.756 . . . . 0.0 111.211 178.144 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -92.42 -15.66 26.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.79 0.328 . . . . 0.0 111.247 -177.455 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 69.4 m -61.79 -44.71 96.34 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.162 -177.618 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 84.9 t -109.94 135.02 20.51 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.125 -178.776 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 81.6 Cg_exo -48.95 137.82 27.73 Favored 'Trans proline' 0 N--CA 1.458 -0.571 0 C-N-CA 121.748 1.632 . . . . 0.0 111.188 179.208 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . 0.54 ' N ' ' CD ' ' A' ' 19' ' ' PRO . 84.3 t80 -60.22 -42.34 89.02 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.188 -176.93 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . 0.54 ' CD ' ' N ' ' A' ' 18' ' ' PHE . 76.8 Cg_exo -53.14 -29.92 47.93 Favored 'Trans proline' 0 N--CA 1.458 -0.592 0 C-N-CA 121.731 1.621 . . . . 0.0 111.133 178.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -86.29 -36.19 19.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.187 -179.92 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 81.6 mt -76.16 -28.93 57.55 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.228 -177.746 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 3.4 p -75.47 -22.98 16.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.169 -177.005 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 60.2 p -76.6 -14.94 59.95 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.197 177.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 76.3 m -85.01 -15.0 45.65 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.231 -179.375 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 33.2 m -111.79 -11.63 11.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.245 178.207 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 90.6 mt -101.1 6.59 43.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.262 173.131 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 3.6 t -60.02 141.69 55.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.146 174.884 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 86.0 m-20 -63.1 -40.35 97.38 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.199 176.127 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -69.04 -39.03 79.42 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.226 178.117 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 73.6 t80 -59.4 -48.75 80.45 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.203 174.524 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 68.9 m -65.47 -39.16 91.65 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.268 -177.369 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 72.4 tp60 -62.48 -45.22 94.01 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.236 177.466 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 61.4 mm-40 -68.25 -38.19 81.55 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.211 176.707 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 43.4 tp -60.15 -40.75 90.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.221 179.458 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 92.9 mt -62.65 -39.96 86.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.261 171.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 71.9 tp60 -62.75 -30.03 71.14 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.24 178.041 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 26.4 m-85 -85.96 1.56 49.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.222 -179.34 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 84.75 19.82 59.13 Favored Glycine 0 CA--C 1.523 0.553 0 N-CA-C 111.186 -0.765 . . . . 0.0 111.186 168.796 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 68.0 m-85 -94.63 145.16 25.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.798 0.333 . . . . 0.0 111.173 178.331 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 84.4 t -116.36 -40.1 2.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.206 -171.71 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 88.3 mtt180 -123.02 103.71 8.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.215 -172.086 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 57.9 tp -78.43 113.81 16.76 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.218 175.17 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.439 ' HB ' ' HA ' ' A' ' 9' ' ' PHE . 96.8 mt -94.8 124.6 47.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.212 179.79 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 76.9 mt -113.78 100.42 10.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.245 176.254 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 69.9 tp60 -105.51 98.04 7.8 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.137 -176.042 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 75.9 t80 -120.17 130.01 54.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.211 -174.771 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . 0.406 ' O ' ' HB3' ' A' ' 48' ' ' ARG . . . -78.12 164.61 51.48 Favored Glycine 0 CA--C 1.523 0.56 0 N-CA-C 111.18 -0.768 . . . . 0.0 111.18 -176.064 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . 0.406 ' HB3' ' O ' ' A' ' 47' ' ' GLY . 76.8 ttt180 75.03 -95.04 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.78 0.324 . . . . 0.0 111.236 177.631 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 61.0 t-20 -133.41 93.16 3.1 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.2 -172.639 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 41.1 t80 -79.55 130.21 35.18 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.132 176.262 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 30.8 t -57.32 109.59 0.7 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.153 175.03 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 58.3 m -110.72 34.08 4.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.143 -169.484 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 22.9 tt0 -144.79 85.56 1.77 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.226 173.752 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 21.7 m-30 -109.12 29.56 7.39 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.212 172.882 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 79.5 tt0 -60.37 -37.72 81.63 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.186 177.061 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 51.0 p-80 -66.08 -23.49 66.53 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.206 179.064 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 59.2 tp -75.63 -55.04 6.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.146 177.489 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 19.1 m -67.65 -22.43 28.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.197 -177.724 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 72.0 tp60 -61.5 -33.87 74.53 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.192 175.782 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 95.4 mt-10 -90.65 -28.05 18.64 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.212 179.747 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 10.9 mpt_? -90.33 4.26 51.3 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.177 -175.55 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 74.99 39.29 38.33 Favored Glycine 0 CA--C 1.524 0.601 0 N-CA-C 111.144 -0.783 . . . . 0.0 111.144 169.367 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -135.43 -174.37 13.38 Favored Glycine 0 CA--C 1.523 0.547 0 N-CA-C 111.151 -0.78 . . . . 0.0 111.151 178.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . 0.424 ' H ' ' HB ' ' A' ' 85' ' ' VAL . 94.4 mm-40 -119.97 -179.98 4.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.868 0.365 . . . . 0.0 111.183 178.431 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 8.1 ppt_? -140.53 149.76 42.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.173 175.735 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 42.6 tt0 -152.4 130.72 12.05 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.206 -178.274 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 29.0 t -87.09 127.22 35.13 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.135 172.621 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 87.6 mt-30 -125.92 152.61 45.39 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.241 -171.602 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -115.14 110.15 19.09 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.258 175.481 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 46.6 mm -101.14 132.85 21.43 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.149 -165.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_exo -50.04 124.55 12.91 Favored 'Trans proline' 0 N--CA 1.459 -0.523 0 C-N-CA 121.677 1.585 . . . . 0.0 111.138 175.026 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 96.8 mt -73.45 -46.17 49.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.21 -176.275 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 99.4 m-20 -63.92 -38.15 90.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.208 -175.76 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 70.8 tp60 -78.2 -46.66 19.88 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.187 -174.603 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 85.2 m-85 -113.8 -23.65 9.55 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.255 -166.743 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 93.96 -7.04 73.33 Favored Glycine 0 CA--C 1.524 0.596 0 N-CA-C 111.206 -0.758 . . . . 0.0 111.206 177.627 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 77.2 m -95.08 155.07 16.88 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.828 0.347 . . . . 0.0 111.178 -179.131 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -97.37 -148.98 24.78 Favored Glycine 0 CA--C 1.523 0.543 0 N-CA-C 111.214 -0.754 . . . . 0.0 111.214 -174.071 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 53.5 p-10 -99.72 14.14 31.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.81 0.338 . . . . 0.0 111.234 -171.391 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 64.6 p -127.57 70.47 1.32 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.201 176.192 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -112.41 122.23 47.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.198 173.79 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 8.9 mmm180 -103.6 116.67 32.79 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.184 -175.746 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 35.7 tt0 -92.9 124.87 37.19 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.163 177.257 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 93.7 m-85 -124.96 143.81 50.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.2 175.486 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . 0.424 ' HB ' ' H ' ' A' ' 64' ' ' GLN . 98.6 t -111.6 123.31 67.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.243 176.286 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 94.3 mt -121.87 167.15 13.37 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.162 178.847 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 70.4 mmm 60.91 34.77 19.43 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.183 173.522 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 77.3 m-20 58.96 34.94 23.89 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.208 177.733 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 94.02 4.53 63.09 Favored Glycine 0 CA--C 1.523 0.567 0 N-CA-C 111.226 -0.75 . . . . 0.0 111.226 172.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -86.34 -18.94 30.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.756 0.312 . . . . 0.0 111.192 -178.286 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 53.0 tp -136.51 134.87 38.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.205 176.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 92.6 mttt -105.44 146.71 29.14 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.168 174.733 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 91.1 t -129.64 124.24 58.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.196 177.879 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 45.1 mm -114.68 113.98 45.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.232 178.19 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -102.43 146.67 16.91 Favored Glycine 0 CA--C 1.523 0.554 0 N-CA-C 111.218 -0.753 . . . . 0.0 111.218 179.203 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 90.2 m-85 -126.47 131.66 51.61 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.766 0.317 . . . . 0.0 111.161 178.393 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 57.7 t0 -115.1 88.32 2.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.213 -177.647 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 87.0 m-85 -134.29 -176.74 4.3 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.229 -178.803 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 72.8 p -76.61 -179.13 5.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.169 175.113 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 82.3 p -78.36 -7.67 57.57 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.256 179.372 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -88.13 -7.84 56.32 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.234 179.512 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 95.2 mtp -114.94 34.92 4.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.202 -179.772 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 28.7 mm100 -86.7 -16.39 36.62 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.159 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 104' ' ' SER . . . . . 0.503 ' O ' ' HB ' ' A' ' 105' ' ' ILE . 12.0 t -94.96 -164.46 1.17 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.202 -177.658 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 105' ' ' ILE . . . . . 0.503 ' HB ' ' O ' ' A' ' 104' ' ' SER . 86.6 mt 73.64 -65.03 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.183 178.237 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 95.8 mt -57.29 -28.94 31.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.205 -177.17 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 93.1 mtm-85 -59.89 -30.1 68.79 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.186 178.41 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -67.2 -21.57 65.76 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.176 179.2 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 109' ' ' TYR . . . . . . . . . . . . . 62.9 m-85 -96.59 -8.9 30.6 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.171 -177.054 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 83.5 p -86.01 169.71 12.95 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.249 -176.863 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 61.8 m-20 -110.77 -40.07 4.66 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.23 178.301 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 53.5 tp -127.46 129.95 48.39 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.207 175.655 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 94.9 t -108.19 120.38 59.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.234 -177.156 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 114' ' ' ILE . . . . . 0.456 HG12 ' HB ' ' A' ' 133' ' ' ILE . 85.3 mt -103.85 117.1 48.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.194 170.346 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 49.7 m -121.1 135.93 55.08 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.246 -177.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 116' ' ' HIS . . . . . 0.422 ' HA ' ' HB2' ' A' ' 135' ' ' CYS . 24.9 m170 -87.81 146.51 25.58 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.186 175.416 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -63.05 129.73 41.62 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.197 176.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 100.9 25.29 8.55 Favored Glycine 0 CA--C 1.524 0.619 0 N-CA-C 111.141 -0.784 . . . . 0.0 111.141 177.201 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 69.4 p -115.3 -40.97 3.35 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.867 0.365 . . . . 0.0 111.224 176.808 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 94.08 2.61 64.22 Favored Glycine 0 CA--C 1.524 0.652 0 N-CA-C 111.193 -0.763 . . . . 0.0 111.193 -177.028 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 86.4 p -90.78 -7.76 51.54 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.802 0.334 . . . . 0.0 111.143 177.886 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 122' ' ' ILE . . . . . 0.492 HG23 HD22 ' A' ' 132' ' ' LEU . 96.6 mt -63.78 -40.0 87.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.217 179.492 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 96.2 mt -75.37 -17.65 60.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.238 -173.513 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 31.1 t0 -69.39 -52.89 22.7 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.206 -176.087 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 11.2 t -57.06 -34.95 68.78 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.152 178.545 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 89.8 mt -63.01 -48.61 78.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.175 179.24 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 40.1 ptt180 -73.39 -19.98 60.86 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.221 -179.777 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 97.5 mt -85.64 -9.91 56.57 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.203 176.134 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 56.2 t30 63.57 36.18 11.24 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.155 -179.162 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 89.7 mttt -110.82 149.52 40.5 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.154 178.485 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 74.6 Cg_exo -50.95 131.11 33.61 Favored 'Trans proline' 0 N--CA 1.458 -0.567 0 C-N-CA 121.648 1.565 . . . . 0.0 111.178 178.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 132' ' ' LEU . . . . . 0.492 HD22 HG23 ' A' ' 122' ' ' ILE . 40.7 tp -131.31 126.53 35.59 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.182 -171.762 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 133' ' ' ILE . . . . . 0.456 ' HB ' HG12 ' A' ' 114' ' ' ILE . 74.4 mt -111.09 120.95 62.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.235 170.093 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 97.5 t -100.16 123.31 52.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.157 -179.334 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 135' ' ' CYS . . . . . 0.422 ' HB2' ' HA ' ' A' ' 116' ' ' HIS . 89.9 m -98.67 117.21 32.63 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.166 179.212 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 11.4 p -84.89 141.81 14.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.159 -176.159 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 19.7 p30 . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.176 179.36 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.797 0.332 . . . . 0.0 111.17 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 98.8 m-20 -62.51 -32.69 73.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.159 176.653 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 151' ' ' LYS . . . . . . . . . . . . . 75.0 mmtt -87.64 -23.59 24.2 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.269 -179.559 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 152' ' ' PHE . . . . . . . . . . . . . 12.8 m-85 -63.61 -36.96 85.54 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.134 168.146 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 153' ' ' VAL . . . . . . . . . . . . . 61.6 t -63.37 -38.3 81.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.208 171.585 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 76.8 mm-40 -64.84 -32.87 74.77 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.212 178.095 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 155' ' ' LEU . . . . . . . . . . . . . 90.1 mt -64.73 -50.64 66.12 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.142 174.785 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . 83.87 15.07 71.11 Favored Glycine 0 CA--C 1.523 0.538 0 N-CA-C 111.241 -0.744 . . . . 0.0 111.241 167.085 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 157' ' ' TYR . . . . . . . . . . . . . 25.4 p90 -139.92 6.73 2.22 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.886 0.374 . . . . 0.0 111.233 177.317 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 158' ' ' VAL . . . . . . . . . . . . . 7.9 p -159.57 141.08 4.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.219 -178.815 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 159' ' ' TRP . . . . . . . . . . . . . 26.4 m-90 -120.49 136.29 54.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.215 -174.771 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 160' ' ' SER . . . . . . . . . . . . . 28.1 t -100.45 147.19 26.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.149 -178.499 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 161' ' ' CYS . . . . . . . . . . . . . 19.8 p -154.87 -179.37 7.97 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.216 174.079 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -99.25 140.32 21.59 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.231 172.741 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 163' ' ' PRO . . . . . . . . . . . . . 87.4 Cg_endo -78.14 64.96 8.43 Favored 'Trans proline' 0 N--CA 1.458 -0.608 0 C-N-CA 121.689 1.593 . . . . 0.0 111.198 179.841 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 164' ' ' THR . . . . . . . . . . . . . 10.4 p -129.95 -179.93 5.5 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.198 176.619 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 165' ' ' GLU . . . . . . . . . . . . . 25.1 pt-20 -69.69 -8.42 47.67 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.198 179.66 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 166' ' ' THR . . . . . . . . . . . . . 78.6 p -116.6 -36.58 3.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.226 -178.106 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 167' ' ' GLY . . . . . . . . . . . . . . . -72.86 -36.7 57.45 Favored Glycine 0 CA--C 1.523 0.584 0 N-CA-C 111.249 -0.741 . . . . 0.0 111.249 -177.645 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 168' ' ' LEU . . . . . . . . . . . . . 95.4 mt -65.22 -35.14 80.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.844 0.355 . . . . 0.0 111.166 178.202 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 93.8 mt -65.07 -45.46 94.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.203 174.012 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 170' ' ' ALA . . . . . . . . . . . . . . . -62.72 -36.74 83.97 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.244 178.374 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 171' ' ' GLY . . . . . . . . . . . . . . . -64.89 -43.89 95.4 Favored Glycine 0 CA--C 1.523 0.537 0 N-CA-C 111.125 -0.79 . . . . 0.0 111.125 177.799 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 80.5 mt -59.42 -44.94 92.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.839 0.352 . . . . 0.0 111.182 177.577 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 173' ' ' ARG . . . . . . . . . . . . . 55.0 ttm-85 -65.56 -38.32 89.23 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.192 177.487 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -62.72 -40.64 97.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.18 -177.796 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 56.4 p -65.1 -19.97 66.24 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.207 -177.823 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 176' ' ' GLN . . . . . . . . . . . . . 81.5 mt-30 -108.64 -4.56 16.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.221 -179.718 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 177' ' ' THR . . . . . . . . . . . . . 71.3 m -70.06 -47.84 60.3 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.165 177.797 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 178' ' ' GLU . . . . . . . . . . . . . 72.6 mm-40 -95.28 149.45 21.32 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.214 178.569 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 179' ' ' LYS . . . . . . . . . . . . . 88.9 tttt -63.24 125.03 22.73 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.276 179.228 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 180' ' ' LEU . . . . . . . . . . . . . 56.9 tp . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.191 -178.469 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . 0.414 ' HG3' ' HB ' ' A' ' 40' ' ' VAL . 81.7 tt0 . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.816 0.341 . . . . 0.0 111.182 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . 0.424 ' HB2' ' HA ' ' A' ' 39' ' ' PHE . 90.8 mttt -99.55 153.42 19.05 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.199 179.852 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -110.06 130.2 55.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.214 178.441 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 51.9 tp -122.22 124.46 43.86 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.196 -174.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 42.3 m-85 -103.38 120.38 40.69 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.232 175.372 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 66.3 t -111.54 110.22 31.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.139 177.047 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 99.4 m -95.88 123.57 39.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.272 -174.415 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 41.3 t -77.6 131.5 37.84 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.205 175.789 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -74.82 173.29 52.37 Favored Glycine 0 CA--C 1.523 0.584 0 N-CA-C 111.245 -0.742 . . . . 0.0 111.245 177.275 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -67.95 -35.14 77.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.84 0.352 . . . . 0.0 111.197 -174.638 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 45.1 p -113.99 38.19 3.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.206 -174.813 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 98.1 t -105.61 118.4 55.59 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.237 -179.619 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_exo -54.67 135.0 65.36 Favored 'Trans proline' 0 N--CA 1.457 -0.619 0 C-N-CA 121.717 1.611 . . . . 0.0 111.174 177.278 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . 0.575 ' N ' ' CD ' ' A' ' 19' ' ' PRO . 94.4 m-85 -79.17 -40.96 1.57 Allowed Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.19 -177.767 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . 0.575 ' CD ' ' N ' ' A' ' 18' ' ' PHE . 64.0 Cg_exo -55.47 -27.34 58.51 Favored 'Trans proline' 0 N--CA 1.458 -0.592 0 C-N-CA 121.701 1.601 . . . . 0.0 111.158 178.855 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 91.5 mttt -86.91 -60.74 1.9 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.198 -177.456 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 50.4 tp -58.39 -40.31 82.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.178 -172.034 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 53.7 t -56.83 -43.99 81.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.335 178.912 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 95.6 p -80.49 -17.97 50.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.23 -175.823 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 93.9 m -85.23 -15.79 42.36 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.172 -179.911 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 30.7 m -109.33 -11.53 11.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.132 176.376 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 99.2 mt -113.58 22.06 14.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.211 172.644 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 4.3 t -63.73 147.77 50.84 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.226 174.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 99.8 m-20 -68.88 -18.34 64.12 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.133 178.7 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -97.44 -38.29 9.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.27 177.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 75.9 t80 -57.23 -49.86 74.68 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.114 176.446 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 81.0 m -64.96 -35.74 82.13 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.259 -172.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 87.3 mt-30 -64.19 -48.96 73.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.23 179.341 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 68.6 mm-40 -64.83 -42.62 94.79 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.222 176.362 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 33.3 tp -49.98 -50.07 48.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.211 177.027 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 94.4 mt -63.39 -40.02 87.5 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.19 -179.503 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 88.2 mt-30 -73.95 -12.28 60.6 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.125 -179.057 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 21.9 m-30 -89.68 -5.49 57.02 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.225 174.424 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 97.58 4.39 58.15 Favored Glycine 0 CA--C 1.523 0.58 0 N-CA-C 111.154 -0.778 . . . . 0.0 111.154 176.271 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.424 ' HA ' ' HB2' ' A' ' 6' ' ' LYS . 71.2 m-85 -94.37 122.66 37.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.757 0.313 . . . . 0.0 111.22 -176.734 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.414 ' HB ' ' HG3' ' A' ' 5' ' ' GLU . 97.2 t -118.0 -43.96 3.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.215 -177.182 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 97.7 mtt180 -87.4 83.87 7.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.244 -176.185 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 56.2 tp -81.36 94.56 6.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.17 -179.604 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 79.8 mt -96.79 111.71 27.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.165 -177.228 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 61.1 mt -105.78 117.23 51.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.183 -169.158 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 49.3 tt0 -100.07 106.25 17.98 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.176 -170.708 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 44.3 m-85 -110.06 170.5 8.03 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.218 175.476 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -94.99 -153.5 30.29 Favored Glycine 0 CA--C 1.524 0.594 0 N-CA-C 111.174 -0.77 . . . . 0.0 111.174 -179.281 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 85.6 mtp180 -83.51 -8.49 59.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.829 0.347 . . . . 0.0 111.202 -177.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 95.4 m-20 -91.21 5.68 48.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.159 -173.061 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 86.2 t80 -153.54 129.94 10.59 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.214 176.291 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 95.5 p -74.79 164.51 26.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.212 -178.37 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 68.6 m -84.89 60.0 5.93 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.248 179.258 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 53.3 mt-10 -122.98 113.05 18.55 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.142 -175.871 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 54.0 m-85 -120.93 11.13 10.99 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.179 177.607 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 86.8 tt0 -51.43 -40.0 58.49 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.273 -0.422 . . . . 0.0 111.144 -171.905 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 85.7 t60 -55.94 -59.36 5.0 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.214 -174.406 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 93.5 mt -74.98 -31.55 61.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.178 -174.751 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 51.4 t -70.13 -40.02 77.77 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.224 -178.66 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 97.9 mm-40 -77.14 -32.43 56.37 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.215 177.914 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 88.1 tt0 -57.01 -45.18 83.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.182 173.291 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 32.9 tpt180 -71.34 -41.68 69.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.168 173.404 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 115.03 120.84 3.42 Favored Glycine 0 CA--C 1.523 0.558 0 N-CA-C 111.201 -0.76 . . . . 0.0 111.201 177.707 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 170.42 -175.0 44.45 Favored Glycine 0 CA--C 1.522 0.511 0 N-CA-C 111.149 -0.781 . . . . 0.0 111.149 -178.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 97.4 mm-40 -110.1 156.12 20.99 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.809 0.338 . . . . 0.0 111.219 -179.268 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 7.2 tmm_? -134.96 130.29 35.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.172 -175.332 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 40.2 tt0 -144.83 125.96 14.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.185 177.198 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' SER . . . . . 0.447 ' HA ' ' HG2' ' A' ' 82' ' ' ARG . 66.7 m -71.45 144.82 49.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.216 178.076 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 91.7 mm-40 -127.75 121.48 30.37 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.212 -173.898 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -94.17 81.16 4.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.162 172.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 80.6 mt -94.51 125.38 51.99 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.134 -165.85 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 82.3 Cg_exo -52.53 135.04 54.58 Favored 'Trans proline' 0 N--CA 1.458 -0.611 0 C-N-CA 121.693 1.595 . . . . 0.0 111.22 -174.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 96.7 mt -74.29 -44.13 49.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.196 179.446 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 98.8 m-20 -64.98 -28.42 69.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.171 -176.572 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 99.0 mm-40 -90.05 -47.2 7.98 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.146 -177.275 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 90.5 m-85 -119.9 -40.51 2.73 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.157 -172.478 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 101.69 0.42 52.68 Favored Glycine 0 CA--C 1.523 0.578 0 N-CA-C 111.165 -0.774 . . . . 0.0 111.165 172.804 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 80.3 m -75.06 -46.52 34.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.83 0.348 . . . . 0.0 111.214 -175.62 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 88.03 -161.32 31.67 Favored Glycine 0 CA--C 1.523 0.581 0 N-CA-C 111.169 -0.772 . . . . 0.0 111.169 176.899 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 96.6 m-20 -87.46 -19.7 27.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.867 0.365 . . . . 0.0 111.224 -178.774 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 25.8 p -82.88 57.99 4.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.23 -179.037 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -152.32 144.09 23.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.185 -175.284 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . 0.447 ' HG2' ' HA ' ' A' ' 67' ' ' SER . 81.6 mtt85 -139.98 146.77 39.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.253 -179.016 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 64.4 tt0 -100.21 121.05 40.84 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.154 -178.855 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' TYR . . . . . 0.515 ' HB2' ' HB ' ' A' ' 93' ' ' VAL . 65.4 m-85 -117.13 109.98 17.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.163 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 92.8 t -113.01 109.61 29.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.194 -177.584 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.477 ' N ' HD21 ' A' ' 86' ' ' LEU . 2.1 pt? -140.76 172.43 12.71 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.252 -166.435 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 94.0 mtp 63.09 53.3 2.33 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.175 178.875 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 95.7 m-20 65.06 24.0 12.5 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.165 179.856 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 76.09 16.35 80.75 Favored Glycine 0 CA--C 1.523 0.542 0 N-CA-C 111.25 -0.74 . . . . 0.0 111.25 179.563 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -87.08 -25.48 24.14 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.788 0.327 . . . . 0.0 111.209 -177.239 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 63.0 tp -114.51 129.58 56.67 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.2 179.665 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -114.12 94.46 4.82 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.201 176.724 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . 0.515 ' HB ' ' HB2' ' A' ' 84' ' ' TYR . 90.9 t -89.26 127.87 41.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.106 178.155 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 88.6 mt -124.33 119.13 55.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.157 -170.657 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -65.03 141.79 43.94 Favored Glycine 0 CA--C 1.523 0.584 0 N-CA-C 111.211 -0.756 . . . . 0.0 111.211 172.712 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 46.0 t80 -169.3 155.0 6.12 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.806 0.336 . . . . 0.0 111.165 -168.566 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 50.1 p30 -141.95 -165.04 1.92 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.159 -179.651 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 95.4 m-85 -82.42 133.35 35.21 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.154 -177.086 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 10.2 t -134.59 -171.62 2.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.182 -172.324 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 40.7 p -125.39 -75.54 0.59 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.216 -172.372 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -56.78 -37.95 71.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.211 -171.075 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 27.1 ptm -82.35 6.53 16.73 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.142 -167.887 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 77.9 mt-30 -64.8 -23.93 67.39 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.2 172.67 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 95.5 p -92.15 -24.95 18.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.185 174.58 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 92.6 mt -69.8 -42.06 79.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.204 176.626 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 97.2 mt -58.25 -36.2 56.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.207 179.846 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 36.0 ttm180 -57.62 -36.54 71.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.211 178.527 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 67.9 m-20 -110.29 39.36 2.2 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.218 178.069 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 109' ' ' TYR . . . . . . . . . . . . . 92.6 t80 -145.06 -54.93 0.31 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.192 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 79.8 p -73.04 163.14 28.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.156 -172.858 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 50.5 m-20 -112.59 -31.89 6.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.184 174.406 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 59.4 tp -146.19 139.73 26.08 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.257 178.427 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 58.3 t -125.22 124.18 66.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.189 175.693 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 97.6 mt -96.4 125.31 49.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.147 175.756 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 48.7 m -119.93 161.49 20.78 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.188 -174.397 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 34.1 t-80 -109.99 144.76 38.06 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.234 -176.455 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -72.27 151.18 42.98 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.207 178.533 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 84.95 3.59 87.72 Favored Glycine 0 CA--C 1.524 0.606 0 N-CA-C 111.193 -0.763 . . . . 0.0 111.193 175.635 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 59.9 p -131.21 -179.71 5.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.795 0.331 . . . . 0.0 111.216 -177.504 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -97.7 5.03 61.86 Favored Glycine 0 CA--C 1.524 0.603 0 N-CA-C 111.2 -0.76 . . . . 0.0 111.2 -178.136 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 95.2 p -66.39 -27.34 67.78 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.763 0.316 . . . . 0.0 111.202 178.345 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 122' ' ' ILE . . . . . . . . . . . . . 92.2 mt -70.08 -46.19 73.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.18 176.197 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 56.5 tp -55.56 -38.75 69.73 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.209 175.825 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 98.9 m-20 -57.61 -50.01 74.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.223 177.133 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 78.2 p -72.75 -20.97 61.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.146 -177.633 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 85.0 mt -74.39 -32.21 62.64 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.218 172.907 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 36.8 mmt180 -82.53 -24.96 33.82 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.232 175.369 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 94.7 mt -74.25 -18.74 60.69 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.243 171.364 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 96.5 m-20 67.16 38.6 3.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.134 178.503 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 37.1 mmtm -110.08 154.11 42.9 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.207 178.78 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_exo -52.92 127.46 24.95 Favored 'Trans proline' 0 N--CA 1.457 -0.64 0 C-N-CA 121.735 1.623 . . . . 0.0 111.237 178.347 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 57.5 tp -95.21 112.18 23.93 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.231 -168.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 87.6 mt -101.45 119.72 50.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.129 165.847 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 96.3 t -102.16 119.83 51.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.152 -177.066 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 135' ' ' CYS . . . . . . . . . . . . . 90.8 m -92.69 131.69 37.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.162 175.351 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 136' ' ' VAL . . . . . 0.439 HG23 ' HA ' ' A' ' 162' ' ' ALA . 30.1 m -78.98 163.81 3.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.137 178.717 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 15.1 t-20 . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.213 -175.995 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.061 0 CA-C-O 120.817 0.341 . . . . 0.0 111.215 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 99.1 m-20 -73.4 -48.16 36.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.137 -176.601 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 151' ' ' LYS . . . . . . . . . . . . . 74.7 mmtt -115.01 -59.82 1.97 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.168 -169.722 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 152' ' ' PHE . . . . . . . . . . . . . 90.3 t80 -55.11 -48.25 73.86 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.21 -168.434 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 153' ' ' VAL . . . . . . . . . . . . . 78.1 t -65.9 -30.17 49.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.225 -179.906 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 74.0 mm-40 -84.89 -3.42 58.69 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.168 -174.537 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 155' ' ' LEU . . . . . . . . . . . . . 87.7 mt -61.38 -34.79 75.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.175 178.053 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . 91.79 12.53 59.16 Favored Glycine 0 CA--C 1.523 0.559 0 N-CA-C 111.212 -0.755 . . . . 0.0 111.212 176.595 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 157' ' ' TYR . . . . . . . . . . . . . 95.2 m-85 -112.55 -43.29 3.5 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.839 0.352 . . . . 0.0 111.189 178.715 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 158' ' ' VAL . . . . . . . . . . . . . 66.6 t -131.89 132.11 61.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.128 -173.496 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 159' ' ' TRP . . . . . . . . . . . . . 63.4 t-105 -90.05 139.05 30.99 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.206 171.218 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 160' ' ' SER . . . . . . . . . . . . . 45.8 t -132.31 142.87 49.52 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.184 178.051 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 161' ' ' CYS . . . . . . . . . . . . . 31.6 p -154.14 175.08 13.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.2 -175.341 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 162' ' ' ALA . . . . . 0.439 ' HA ' HG23 ' A' ' 136' ' ' VAL . . . -83.24 140.17 42.23 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.218 176.043 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 163' ' ' PRO . . . . . . . . . . . . . 84.3 Cg_endo -78.18 65.12 8.45 Favored 'Trans proline' 0 N--CA 1.459 -0.557 0 C-N-CA 121.643 1.562 . . . . 0.0 111.22 179.793 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 164' ' ' THR . . . . . . . . . . . . . 18.8 p -125.03 179.93 4.83 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.174 178.616 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 165' ' ' GLU . . . . . . . . . . . . . 22.9 pt-20 -70.07 -10.04 57.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.213 178.685 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 166' ' ' THR . . . . . . . . . . . . . 74.0 p -111.99 -36.78 5.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.169 -178.707 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 167' ' ' GLY . . . . . . . . . . . . . . . -74.3 -37.12 48.7 Favored Glycine 0 CA--C 1.523 0.585 0 N-CA-C 111.161 -0.776 . . . . 0.0 111.161 -177.555 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 168' ' ' LEU . . . . . . . . . . . . . 96.3 mt -67.61 -31.52 71.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.798 0.332 . . . . 0.0 111.208 179.093 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 83.9 mt -64.56 -45.18 96.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.205 175.207 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 170' ' ' ALA . . . . . . . . . . . . . . . -62.68 -37.89 88.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.172 178.102 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 171' ' ' GLY . . . . . . . . . . . . . . . -62.96 -45.82 94.84 Favored Glycine 0 CA--C 1.523 0.578 0 N-CA-C 111.144 -0.782 . . . . 0.0 111.144 176.769 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 84.0 mt -61.43 -42.95 99.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.782 0.325 . . . . 0.0 111.135 179.476 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 173' ' ' ARG . . . . . . . . . . . . . 35.2 ttm180 -64.14 -40.1 95.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.204 178.422 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -64.95 -40.11 94.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.276 -178.26 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 60.5 p -64.98 -25.5 67.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.234 -177.922 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 176' ' ' GLN . . . . . . . . . . . . . 89.7 mm-40 -102.4 -27.6 12.72 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.156 -175.433 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 177' ' ' THR . . . . . . . . . . . . . 96.7 m -99.8 -53.53 3.15 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.168 -175.192 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 178' ' ' GLU . . . . . . . . . . . . . 75.7 mm-40 -82.14 141.74 32.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.236 -173.205 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 179' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -80.06 110.11 15.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.183 177.624 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 180' ' ' LEU . . . . . . . . . . . . . 93.7 mt . . . . . 0 C--N 1.33 -0.27 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.203 175.978 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.785 0.326 . . . . 0.0 111.232 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 88.8 mttt -74.5 151.47 39.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.211 -174.316 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . 0.413 ' HB1' ' HA ' ' A' ' 110' ' ' SER . . . -120.39 140.87 50.7 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.24 -176.878 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 63.2 tp -123.79 113.95 19.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.196 -173.916 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 62.4 t80 -89.71 106.55 18.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.17 -176.842 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 89.7 t -103.13 115.35 44.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.217 -177.459 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 96.4 m -101.74 110.21 22.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.172 176.566 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 90.1 m -79.81 140.42 36.86 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.233 -179.282 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -84.45 170.27 46.34 Favored Glycine 0 CA--C 1.523 0.574 0 N-CA-C 111.233 -0.747 . . . . 0.0 111.233 -179.231 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -97.53 -5.01 36.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.776 0.322 . . . . 0.0 111.162 -178.113 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 69.5 p -87.63 -19.46 27.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.21 -178.556 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 79.6 t -114.87 130.17 24.4 Favored Pre-proline 0 C--N 1.33 -0.249 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.152 176.458 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 85.6 Cg_exo -48.55 126.87 15.01 Favored 'Trans proline' 0 N--CA 1.459 -0.557 0 C-N-CA 121.674 1.583 . . . . 0.0 111.209 177.611 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . 0.522 ' N ' ' CD ' ' A' ' 19' ' ' PRO . 18.3 m-85 -61.58 -44.55 92.11 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.242 -175.247 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . 0.522 ' CD ' ' N ' ' A' ' 18' ' ' PHE . 67.8 Cg_exo -55.02 -35.15 89.48 Favored 'Trans proline' 0 N--CA 1.458 -0.588 0 C-N-CA 121.725 1.617 . . . . 0.0 111.178 178.289 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -91.87 -18.85 23.19 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.237 -176.215 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 36.6 tp -81.28 -38.85 26.16 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.231 -177.353 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 27.1 m -67.42 -17.17 22.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.208 -175.66 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 60.5 p -66.96 -16.42 64.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.192 179.875 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 78.0 m -84.82 -14.96 46.45 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.246 -179.853 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 35.7 m -118.75 -3.58 10.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.186 -179.089 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 96.2 mt -117.28 12.43 14.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.161 179.11 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 69.6 p -74.97 159.95 31.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.162 178.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 98.9 m-20 -62.87 -36.92 84.87 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.171 177.43 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 76.7 mm-40 -71.99 -43.85 64.42 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.242 -178.755 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 46.8 t80 -64.95 -49.24 71.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.21 -179.096 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 81.2 m -67.62 -40.03 84.69 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.207 -174.518 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 66.3 tt0 -56.7 -55.81 29.41 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.245 175.749 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 69.7 mm-40 -64.39 -40.7 96.33 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.204 179.356 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 37.9 tp -48.07 -50.92 26.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.225 174.459 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 94.3 mt -62.44 -40.06 86.67 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.196 178.582 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 99.8 mm-40 -64.86 -23.87 67.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.236 -179.147 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 13.7 m-30 -87.34 -5.02 59.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.154 -179.802 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 99.63 5.06 55.7 Favored Glycine 0 CA--C 1.524 0.597 0 N-CA-C 111.266 -0.734 . . . . 0.0 111.266 176.201 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 68.4 m-85 -96.24 122.31 38.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.83 0.348 . . . . 0.0 111.213 -175.908 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 34.0 m -130.28 -11.3 2.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.188 -178.492 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 74.9 mtm180 -107.16 88.07 2.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.244 -179.762 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.402 ' HB3' HG23 ' A' ' 93' ' ' VAL . 53.0 tp -90.55 124.71 35.24 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.193 -175.898 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.449 HG23 ' CD1' ' A' ' 96' ' ' PHE . 3.3 mp -109.93 123.05 65.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.214 177.892 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 80.9 mt -118.65 111.69 34.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.111 179.31 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 62.3 tp60 -85.11 126.95 34.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.205 -175.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 52.4 m-85 -110.08 155.02 22.44 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.19 173.117 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -80.34 -171.24 43.06 Favored Glycine 0 CA--C 1.524 0.641 0 N-CA-C 111.145 -0.782 . . . . 0.0 111.145 178.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 83.4 mtp180 -79.96 -19.97 46.69 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.827 0.346 . . . . 0.0 111.215 -176.733 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 72.6 m-80 -104.74 14.88 28.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.208 -178.227 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 81.9 m-85 -130.78 150.49 51.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.17 -176.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 41.1 t -120.75 120.34 35.35 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.215 -174.735 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 60.6 p -69.86 86.61 0.51 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.19 176.497 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -123.19 106.87 11.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.222 177.806 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 23.1 m-85 -114.88 17.96 16.71 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.213 178.742 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 85.8 tt0 -57.49 -35.59 70.41 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.217 -175.925 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 43.0 p-80 -79.56 -10.89 59.88 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.231 -177.719 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 98.9 mt -96.95 -37.19 10.29 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.231 -177.116 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 22.5 m -68.64 -17.15 21.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.206 -179.023 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 88.8 mt-30 -64.54 -27.22 68.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.165 171.049 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 94.2 mt-10 -104.97 18.78 21.76 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.227 176.382 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 89.2 mmt-85 -129.56 -0.02 4.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.142 178.611 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 76.28 39.57 31.04 Favored Glycine 0 CA--C 1.523 0.538 0 N-CA-C 111.208 -0.757 . . . . 0.0 111.208 173.673 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -147.92 -146.37 4.33 Favored Glycine 0 CA--C 1.524 0.616 0 N-CA-C 111.197 -0.761 . . . . 0.0 111.197 -179.266 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 20.4 pt20 -168.57 171.3 8.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.814 0.34 . . . . 0.0 111.163 -172.591 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 67.3 ttp85 -99.97 140.02 34.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.207 179.767 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 87.3 tt0 -147.86 113.51 5.69 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.236 174.343 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 39.9 t -69.93 134.43 48.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.136 174.034 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 17.0 mm-40 -129.57 141.28 50.99 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.19 -176.11 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -95.06 65.02 2.84 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.214 172.455 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 86.7 mt -79.37 133.43 60.13 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.159 -178.615 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 56.0 Cg_endo -72.2 171.09 17.55 Favored 'Trans proline' 0 N--CA 1.458 -0.598 0 C-N-CA 121.699 1.599 . . . . 0.0 111.227 -176.55 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 47.7 pt -81.9 -8.51 11.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.182 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 69.7 m-20 -89.63 -23.31 21.95 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.171 -179.103 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 63.6 tp60 -82.24 -67.28 0.8 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.218 -177.21 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' PHE . . . . . 0.403 ' HB2' ' SG ' ' A' ' 77' ' ' CYS . 51.0 m-85 -125.7 2.36 7.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.257 -179.835 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 83.26 39.46 9.92 Favored Glycine 0 CA--C 1.524 0.612 0 N-CA-C 111.148 -0.781 . . . . 0.0 111.148 -179.321 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' CYS . . . . . 0.403 ' SG ' ' HB2' ' A' ' 75' ' ' PHE . 72.5 m -112.28 -178.33 3.39 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.838 0.351 . . . . 0.0 111.191 -173.955 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -139.49 -143.39 4.39 Favored Glycine 0 CA--C 1.523 0.541 0 N-CA-C 111.226 -0.75 . . . . 0.0 111.226 176.232 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 55.8 p-10 -102.51 8.45 39.93 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.812 0.339 . . . . 0.0 111.289 -175.252 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 73.2 p -121.39 28.79 7.57 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.241 171.781 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -93.15 137.25 32.66 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.173 171.757 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 95.9 mtt180 -122.39 112.52 18.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.162 -175.27 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 56.3 tt0 -78.58 137.33 37.82 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.213 179.192 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 96.4 m-85 -130.02 134.78 47.64 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.19 178.639 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . 0.454 HG13 ' HA2' ' A' ' 89' ' ' GLY . 86.3 t -91.72 117.21 34.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.166 176.698 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 4.0 mp -122.16 156.54 33.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.206 179.598 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 83.8 mmm 59.96 38.76 20.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.205 174.836 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 78.0 m-20 60.31 34.86 20.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.183 177.075 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . 0.454 ' HA2' HG13 ' A' ' 85' ' ' VAL . . . 94.3 2.94 63.56 Favored Glycine 0 CA--C 1.523 0.562 0 N-CA-C 111.156 -0.777 . . . . 0.0 111.156 172.643 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -85.96 -22.01 27.58 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.775 0.322 . . . . 0.0 111.195 -178.331 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 61.4 tp -123.59 133.01 54.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.131 179.44 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -109.5 108.63 19.18 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.222 177.423 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . 0.402 HG23 ' HB3' ' A' ' 42' ' ' LEU . 60.5 t -108.75 124.45 65.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.199 -178.491 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 82.1 mt -114.71 120.56 64.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.174 178.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -85.0 133.97 12.24 Favored Glycine 0 CA--C 1.523 0.589 0 N-CA-C 111.2 -0.76 . . . . 0.0 111.2 174.861 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 96' ' ' PHE . . . . . 0.449 ' CD1' HG23 ' A' ' 43' ' ' ILE . 61.7 m-85 -114.87 107.77 15.85 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.813 0.34 . . . . 0.0 111.16 -175.013 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 70.4 m-20 -94.31 67.15 3.48 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.23 171.298 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 91.6 m-85 -129.63 164.69 23.35 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.218 -177.199 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 77.3 p -75.12 -176.29 2.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.142 173.176 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 68.6 p -74.89 -5.42 43.6 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.173 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -63.86 -30.07 71.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.226 176.088 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 24.5 mmt -91.33 -0.31 57.64 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.207 -179.439 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 29.2 tt0 -64.27 -60.09 3.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.264 -176.505 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 73.7 m -65.11 -32.8 74.68 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.259 -179.061 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 95.9 mt -61.7 -46.38 96.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.255 179.081 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 84.8 mt -72.61 -38.06 58.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.157 -179.08 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 42.2 mtm105 -61.83 -26.19 67.97 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.21 -176.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 99.0 m-20 -64.36 -23.63 67.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.236 176.441 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 109' ' ' TYR . . . . . . . . . . . . . 96.3 m-85 -97.26 -24.0 15.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.207 -179.909 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 110' ' ' SER . . . . . 0.413 ' HA ' ' HB1' ' A' ' 7' ' ' ALA . 54.6 p -70.65 163.58 26.76 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.246 179.722 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 61.9 m-20 -108.97 -40.48 5.0 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.187 176.068 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 94.4 mt -123.93 154.84 39.17 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.234 173.892 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 94.6 t -124.08 124.96 70.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.228 -179.379 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 97.6 mt -105.85 129.04 59.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.169 174.396 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 33.3 t -115.09 114.45 25.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.151 177.141 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 86.8 m-70 -86.87 143.12 27.58 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.187 -178.792 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . 54.89 50.65 15.15 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.195 170.678 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 128.59 -173.33 19.22 Favored Glycine 0 CA--C 1.524 0.596 0 N-CA-C 111.211 -0.755 . . . . 0.0 111.211 176.682 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 57.9 p -109.32 35.38 3.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.769 0.318 . . . . 0.0 111.187 -173.884 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -58.2 -41.21 94.68 Favored Glycine 0 CA--C 1.523 0.586 0 N-CA-C 111.159 -0.776 . . . . 0.0 111.159 -172.594 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 71.0 m -109.13 30.4 6.61 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.804 0.335 . . . . 0.0 111.219 -175.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 122' ' ' ILE . . . . . . . . . . . . . 48.8 mm -104.81 -52.77 7.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.193 178.572 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 97.9 mt -66.09 -22.8 66.42 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.093 175.711 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 94.9 m-20 -78.66 -17.95 55.18 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.223 177.555 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 39.4 m -114.87 35.0 4.5 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.217 -170.603 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 94.5 mt -89.97 -25.98 20.61 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.235 -179.414 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 98.5 mtt180 -78.02 -22.64 48.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.223 179.233 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 93.7 mt -66.81 -34.6 78.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.233 175.689 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 78.8 m-20 64.97 35.02 8.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.189 -179.813 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 40.5 mmtm -114.03 153.74 46.17 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.185 179.652 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_exo -49.59 123.74 10.98 Favored 'Trans proline' 0 N--CA 1.458 -0.61 0 C-N-CA 121.603 1.535 . . . . 0.0 111.293 175.334 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 81.4 mt -108.2 139.97 42.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.198 -176.832 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 87.3 mt -116.4 130.24 71.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.223 -177.224 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 86.3 t -116.22 125.01 73.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.197 172.283 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 135' ' ' CYS . . . . . . . . . . . . . 47.2 t -105.57 110.02 22.2 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.224 178.75 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 97.0 t -75.71 135.6 26.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.163 -175.344 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 42.1 p30 . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.19 -175.699 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.807 0.337 . . . . 0.0 111.163 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 95.7 m-20 -58.68 -41.85 87.13 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.196 -179.221 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 151' ' ' LYS . . . . . . . . . . . . . 96.5 mttt -73.66 -30.74 63.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.204 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 152' ' ' PHE . . . . . . . . . . . . . 15.5 m-30 -69.98 -28.45 65.55 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.225 175.395 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 153' ' ' VAL . . . . . . . . . . . . . 55.1 t -69.73 -40.04 78.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.198 171.623 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -61.41 -35.19 76.84 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.168 175.294 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 155' ' ' LEU . . . . . . . . . . . . . 82.2 mt -68.23 -50.21 55.56 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.297 173.15 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . 84.96 16.63 64.83 Favored Glycine 0 CA--C 1.524 0.629 0 N-CA-C 111.19 -0.764 . . . . 0.0 111.19 168.912 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 157' ' ' TYR . . . . . 0.417 ' HA ' HD13 ' A' ' 180' ' ' LEU . 54.4 p90 -143.8 8.12 1.48 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.803 0.335 . . . . 0.0 111.142 175.695 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 158' ' ' VAL . . . . . . . . . . . . . 55.7 t -120.21 134.49 63.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.244 -178.083 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 159' ' ' TRP . . . . . . . . . . . . . 81.0 m95 -97.73 146.64 25.16 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.159 175.431 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 160' ' ' SER . . . . . . . . . . . . . 41.3 t -110.45 115.68 30.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.158 174.139 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 161' ' ' CYS . . . . . . . . . . . . . 92.9 m -114.03 149.64 35.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.222 -178.746 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -81.63 159.62 66.23 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.214 174.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 163' ' ' PRO . . . . . . . . . . . . . 89.9 Cg_endo -78.47 60.75 7.67 Favored 'Trans proline' 0 N--CA 1.458 -0.593 0 C-N-CA 121.763 1.642 . . . . 0.0 111.175 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 164' ' ' THR . . . . . . . . . . . . . 36.7 p -136.05 173.66 11.47 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.197 178.735 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 165' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -70.62 -29.23 65.56 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.198 -178.631 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 166' ' ' THR . . . . . . . . . . . . . 81.9 p -103.55 -21.25 13.78 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.253 -174.083 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 167' ' ' GLY . . . . . . . . . . . . . . . -66.33 -37.43 92.82 Favored Glycine 0 CA--C 1.524 0.604 0 N-CA-C 111.209 -0.756 . . . . 0.0 111.209 -179.274 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 168' ' ' LEU . . . . . . . . . . . . . 52.2 tp -74.89 -47.82 28.05 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.798 0.333 . . . . 0.0 111.2 -177.906 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 10.4 tp -65.27 -25.35 37.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.18 -177.672 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 170' ' ' ALA . . . . . . . . . . . . . . . -65.16 -41.5 94.62 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.215 174.466 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 171' ' ' GLY . . . . . . . . . . . . . . . -69.26 -34.4 75.03 Favored Glycine 0 CA--C 1.524 0.629 0 N-CA-C 111.167 -0.773 . . . . 0.0 111.167 177.846 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 30.6 tp -65.07 -39.96 94.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.81 0.338 . . . . 0.0 111.235 176.12 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 173' ' ' ARG . . . . . . . . . . . . . 40.6 ttm180 -58.96 -46.06 88.98 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.208 171.497 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -57.77 -38.71 75.91 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.199 -177.904 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 73.7 m -57.57 -36.7 72.04 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.23 177.295 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 176' ' ' GLN . . . . . . . . . . . . . 91.7 mm-40 -97.78 -4.96 35.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.104 -173.647 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 177' ' ' THR . . . . . . . . . . . . . 93.3 m -113.82 -50.15 2.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.181 -174.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 178' ' ' GLU . . . . . . . . . . . . . 72.4 mm-40 -93.16 155.11 17.67 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.215 -176.212 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 179' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -95.49 120.4 35.68 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.249 -177.535 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 180' ' ' LEU . . . . . 0.417 HD13 ' HA ' ' A' ' 157' ' ' TYR . 95.2 mt . . . . . 0 C--N 1.328 -0.349 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.205 173.023 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.792 0.329 . . . . 0.0 111.177 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 68.0 mmtt -61.03 111.93 1.88 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.198 -172.608 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -125.23 130.24 51.69 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.227 -175.893 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 60.5 tp -106.54 126.45 52.28 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.195 178.338 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 67.0 t80 -106.77 119.93 40.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.291 -177.634 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 89.7 t -105.64 131.83 54.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.162 177.523 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 96.8 m -113.62 123.23 49.45 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.216 -175.855 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 75.2 m -94.62 144.58 25.49 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.257 166.5 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -63.38 138.08 43.06 Favored Glycine 0 CA--C 1.523 0.562 0 N-CA-C 111.243 -0.743 . . . . 0.0 111.243 -178.594 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.16 -34.13 76.97 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.798 0.332 . . . . 0.0 111.236 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 82.4 p -108.47 -24.93 11.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.215 177.68 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 44.2 t -125.01 87.16 55.8 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.236 179.662 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 57.3 Cg_endo -68.29 154.97 70.95 Favored 'Trans proline' 0 N--CA 1.458 -0.58 0 C-N-CA 121.719 1.613 . . . . 0.0 111.184 177.716 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 78.7 m-85 -127.91 75.02 78.61 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.215 -176.519 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 37.9 Cg_endo -66.59 -24.81 47.98 Favored 'Trans proline' 0 N--CA 1.457 -0.62 0 C-N-CA 121.724 1.616 . . . . 0.0 111.169 -179.209 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -64.6 -38.61 91.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.249 179.261 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 95.1 mt -79.74 -35.86 38.16 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.117 -179.816 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.402 ' HA ' HG23 ' A' ' 25' ' ' VAL . 65.6 t -69.99 -29.76 41.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.174 -179.755 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 56.0 p -65.03 -23.16 67.11 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.206 178.824 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 95.6 m -90.1 -39.68 12.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.174 -175.168 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.402 HG23 ' HA ' ' A' ' 22' ' ' VAL . 18.1 m -70.66 -18.27 20.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.171 -178.832 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 96.4 mt -94.07 -6.57 44.81 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.185 177.41 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 47.8 m -77.31 151.3 35.06 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.186 178.374 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 99.1 m-20 -62.42 -34.07 76.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.235 -175.135 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -61.09 -47.42 86.37 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.237 -178.237 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 52.4 t80 -65.53 -46.42 79.66 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.146 176.811 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 87.0 m -64.98 -29.84 70.79 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.212 -175.065 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 72.2 tp60 -64.45 -47.61 78.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.189 176.717 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 69.9 mm-40 -68.69 -37.73 79.78 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.2 175.921 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 48.8 tp -54.93 -53.28 57.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.202 177.583 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 97.7 mt -64.91 -36.36 77.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.242 178.126 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 71.9 tp60 -60.03 -29.99 68.88 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.213 176.926 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 16.5 m-30 -83.77 -6.54 59.46 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.189 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 106.8 -4.69 36.58 Favored Glycine 0 CA--C 1.524 0.615 0 N-CA-C 111.206 -0.757 . . . . 0.0 111.206 177.179 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 57.0 m-85 -88.53 123.33 32.93 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.757 0.313 . . . . 0.0 111.233 -174.58 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 29.3 m -124.6 -4.91 6.45 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.25 -174.255 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 87.0 mtt-85 -122.29 133.83 54.67 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.152 176.731 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 64.5 tp -135.79 114.84 12.26 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.258 -175.163 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 4.7 mp -115.32 120.07 63.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.257 -173.61 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 5.1 mp -110.2 116.13 51.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.21 -177.158 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 1.2 tm0? -86.18 128.81 34.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.296 176.501 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 33.8 p90 -146.58 179.86 7.26 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.135 178.725 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -137.51 89.01 0.21 Allowed Glycine 0 CA--C 1.525 0.667 0 N-CA-C 111.168 -0.773 . . . . 0.0 111.168 -158.546 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 85.3 mtp180 68.0 -107.93 0.09 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.823 0.344 . . . . 0.0 111.172 165.736 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 97.1 m-20 -58.77 -29.89 67.14 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.235 -169.342 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 70.4 t80 -55.57 -33.62 64.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.231 179.186 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 85.9 p -52.91 -31.54 40.46 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.156 -174.399 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 73.6 m -61.68 -39.65 92.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.182 177.493 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 75.6 mm-40 -79.92 -34.25 39.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.255 178.61 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 88.2 t80 -59.09 -48.35 81.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.218 -179.03 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 84.6 tt0 -57.34 -38.62 74.41 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.202 176.516 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 67.0 m170 -69.79 -31.77 69.88 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.227 179.906 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 91.8 mt -70.82 -30.79 67.32 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.203 177.106 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 71.2 t -74.97 -39.09 44.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.212 172.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 98.1 mm-40 -79.78 -8.57 59.34 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.184 179.147 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 52.3 tp10 -65.81 -30.01 70.57 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.243 170.178 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 41.0 mmt180 -109.7 -0.04 18.72 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.159 179.468 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 82.02 38.74 12.69 Favored Glycine 0 CA--C 1.524 0.633 0 N-CA-C 111.146 -0.781 . . . . 0.0 111.146 172.479 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -77.64 174.44 54.74 Favored Glycine 0 CA--C 1.523 0.593 0 N-CA-C 111.151 -0.78 . . . . 0.0 111.151 175.874 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 65.5 tp60 -120.85 120.03 34.36 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.81 0.338 . . . . 0.0 111.236 -179.882 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 62.0 ttp85 -82.27 134.97 35.3 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.234 174.328 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -136.28 142.51 43.95 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.238 178.835 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 38.0 t -90.94 105.66 17.98 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.203 179.427 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 90.7 mm-40 -124.93 153.14 43.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.236 -178.613 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -90.77 74.95 6.56 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.201 177.543 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 49.9 mm -65.99 118.46 52.51 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.263 -175.352 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 77.1 Cg_exo -58.96 156.96 30.93 Favored 'Trans proline' 0 N--CA 1.458 -0.617 0 C-N-CA 121.722 1.615 . . . . 0.0 111.189 -174.315 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 96.8 mt -87.33 -40.2 13.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.16 173.322 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 15.7 p-10 -77.27 -16.32 59.04 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.264 -172.874 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 96.8 mm-40 -108.39 -22.77 12.18 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.196 -179.032 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 84.5 m-85 -129.12 -59.99 1.09 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.127 177.354 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 121.46 24.25 2.43 Favored Glycine 0 CA--C 1.523 0.564 0 N-CA-C 111.16 -0.776 . . . . 0.0 111.16 -178.111 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 76.7 m -112.47 147.05 37.34 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.738 0.304 . . . . 0.0 111.203 -178.763 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -97.91 -137.85 9.88 Favored Glycine 0 CA--C 1.524 0.641 0 N-CA-C 111.179 -0.768 . . . . 0.0 111.179 175.482 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 58.4 p-10 -91.1 10.19 27.86 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.801 0.334 . . . . 0.0 111.213 174.19 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 41.8 p -109.44 37.37 2.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.197 179.042 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . 0.412 ' HA ' ' O ' ' A' ' 95' ' ' GLY . . . -141.34 150.95 43.14 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.218 177.118 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 90.2 mmt-85 -135.53 150.48 49.76 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.202 -174.836 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 30.4 tt0 -92.16 129.97 37.99 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.225 -179.799 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' TYR . . . . . 0.442 ' HB2' ' HB ' ' A' ' 93' ' ' VAL . 91.1 m-85 -122.9 120.56 33.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.198 -179.796 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 87.4 t -91.91 121.95 42.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.183 -176.547 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 95.3 mt -127.96 163.37 24.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.221 173.308 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 85.6 mmm 62.39 30.03 17.29 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.222 176.122 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 96.4 m-20 64.97 33.97 9.36 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.202 176.79 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 95.96 -3.15 64.54 Favored Glycine 0 CA--C 1.524 0.603 0 N-CA-C 111.202 -0.759 . . . . 0.0 111.202 175.476 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -79.61 -24.99 41.58 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.783 0.325 . . . . 0.0 111.204 -178.564 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 66.2 tp -116.08 120.07 37.89 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.177 176.625 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -98.65 103.2 15.13 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.224 178.119 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . 0.442 ' HB ' ' HB2' ' A' ' 84' ' ' TYR . 81.7 t -97.66 138.47 22.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.164 -177.314 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 86.4 mt -118.84 117.16 53.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.193 175.521 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . 0.412 ' O ' ' HA ' ' A' ' 81' ' ' ALA . . . -83.09 120.59 5.2 Favored Glycine 0 CA--C 1.524 0.597 0 N-CA-C 111.196 -0.762 . . . . 0.0 111.196 171.192 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 49.8 t80 -123.77 118.96 28.36 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.821 0.343 . . . . 0.0 111.225 -170.55 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 65.3 t0 -124.69 100.32 6.58 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.192 177.396 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 22.8 t80 -166.42 164.98 17.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.166 179.824 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 82.8 p -70.01 180.0 2.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.161 179.463 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 100' ' ' THR . . . . . 0.432 ' HA ' ' HB2' ' A' ' 103' ' ' GLN . 80.7 p -71.86 -5.85 37.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.166 -171.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -59.97 -29.73 68.63 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.158 -179.127 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 66.9 mtt -124.94 -4.91 7.48 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.238 -175.475 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 103' ' ' GLN . . . . . 0.432 ' HB2' ' HA ' ' A' ' 100' ' ' THR . 78.1 mt-30 -64.43 -44.21 91.91 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.175 172.347 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 75.1 m -69.17 -25.41 64.34 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.21 -176.014 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 96.4 mt -64.13 -48.15 87.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.228 173.425 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 97.8 mt -66.82 -40.18 85.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.17 176.437 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 86.9 mtm-85 -60.08 -42.57 94.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.14 177.055 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -64.77 -34.85 79.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.238 179.067 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 109' ' ' TYR . . . . . . . . . . . . . 13.9 m-30 -75.91 -35.6 59.73 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.134 178.397 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 59.7 p -70.12 169.75 12.9 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.249 -173.717 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 46.5 m-20 -110.41 -40.61 4.59 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.213 -177.765 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 88.3 mt -124.85 147.82 48.57 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.205 177.332 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 96.9 t -122.46 125.43 72.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.204 173.514 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 114' ' ' ILE . . . . . 0.429 HG12 ' HB ' ' A' ' 133' ' ' ILE . 87.2 mt -115.96 132.3 65.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.164 176.439 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 13.2 t -157.16 -171.46 3.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.235 175.586 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 59.0 t-80 -103.43 160.7 14.48 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.16 177.107 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -50.8 137.38 20.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.263 172.497 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 161.25 167.4 21.66 Favored Glycine 0 CA--C 1.523 0.59 0 N-CA-C 111.169 -0.772 . . . . 0.0 111.169 -175.144 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 40.5 p -73.63 -69.95 0.4 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.898 0.38 . . . . 0.0 111.2 -173.077 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -57.18 -36.94 77.54 Favored Glycine 0 CA--C 1.523 0.584 0 N-CA-C 111.198 -0.761 . . . . 0.0 111.198 179.637 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 39.3 t -58.22 -57.24 13.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.782 0.325 . . . . 0.0 111.21 -178.892 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 122' ' ' ILE . . . . . . . . . . . . . 93.9 mt -62.28 -38.39 80.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.188 -178.702 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 81.2 mt -61.86 -40.42 95.28 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.237 -175.21 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 87.1 m-20 -62.31 -49.96 73.56 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.189 -165.789 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 21.5 t -69.0 -41.94 77.13 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.212 -176.746 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 94.0 mt -75.32 -17.46 60.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.247 -177.441 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 44.9 ttm105 -59.49 -39.05 82.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.13 172.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 87.1 mt -103.58 4.89 36.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.255 178.567 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 92.8 m-20 64.98 34.49 8.88 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.156 177.474 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 33.3 mmtp -92.95 147.05 33.17 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.203 177.141 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_exo -53.5 126.69 22.57 Favored 'Trans proline' 0 N--CA 1.458 -0.588 0 C-N-CA 121.742 1.628 . . . . 0.0 111.188 178.779 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 53.6 tp -118.54 130.85 56.14 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.118 -175.628 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 133' ' ' ILE . . . . . 0.429 ' HB ' HG12 ' A' ' 114' ' ' ILE . 5.4 mp -109.93 117.03 53.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.103 -0.498 . . . . 0.0 111.224 172.07 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 95.0 t -108.77 114.96 48.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.219 -173.679 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 135' ' ' CYS . . . . . . . . . . . . . 93.0 m -78.27 131.27 37.02 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.239 170.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 82.4 t -118.53 106.01 18.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.241 -178.023 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 48.7 p30 . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.174 176.47 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.803 0.335 . . . . 0.0 111.182 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 96.5 m-20 -71.91 -36.33 69.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.217 -176.293 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 151' ' ' LYS . . . . . . . . . . . . . 47.4 mmtm -79.73 -38.13 34.0 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.188 -174.597 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 152' ' ' PHE . . . . . 0.441 ' HB3' ' HB ' ' A' ' 158' ' ' VAL . 8.1 m-30 -55.05 -47.07 75.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.202 179.55 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 153' ' ' VAL . . . . . . . . . . . . . 70.1 t -76.71 -45.39 32.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.153 -179.192 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 89.1 tt0 -54.61 -40.15 68.61 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.216 178.724 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 155' ' ' LEU . . . . . . . . . . . . . 96.0 mt -84.86 -25.15 28.21 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.25 -177.3 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . 84.99 40.78 7.88 Favored Glycine 0 CA--C 1.523 0.554 0 N-CA-C 111.222 -0.751 . . . . 0.0 111.222 169.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 157' ' ' TYR . . . . . . . . . . . . . 69.2 m-85 -119.21 -30.07 5.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.807 0.337 . . . . 0.0 111.205 178.677 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 158' ' ' VAL . . . . . 0.441 ' HB ' ' HB3' ' A' ' 152' ' ' PHE . 77.5 t -141.04 141.31 31.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.224 179.036 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 159' ' ' TRP . . . . . . . . . . . . . 72.6 t-105 -101.56 120.0 39.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.186 179.22 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 160' ' ' SER . . . . . . . . . . . . . 92.0 p -89.42 152.91 21.23 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.193 176.671 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 161' ' ' CYS . . . . . . . . . . . . . 28.7 p -155.01 175.01 14.36 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.19 177.831 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -80.61 145.49 58.72 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.251 175.602 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 163' ' ' PRO . . . . . . . . . . . . . 85.3 Cg_endo -79.49 63.97 8.79 Favored 'Trans proline' 0 N--CA 1.458 -0.599 0 C-N-CA 121.682 1.588 . . . . 0.0 111.216 -179.265 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 164' ' ' THR . . . . . . . . . . . . . 25.0 p -134.39 174.42 10.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.109 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 165' ' ' GLU . . . . . . . . . . . . . 24.5 pm0 -70.55 -10.89 60.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.199 177.02 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 166' ' ' THR . . . . . . . . . . . . . 82.5 p -103.55 -30.14 10.7 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.24 179.501 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 167' ' ' GLY . . . . . . . . . . . . . . . -75.13 -31.39 57.61 Favored Glycine 0 CA--C 1.523 0.555 0 N-CA-C 111.157 -0.777 . . . . 0.0 111.157 175.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 168' ' ' LEU . . . . . . . . . . . . . 76.3 mt -66.1 -42.79 88.77 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.843 0.354 . . . . 0.0 111.19 174.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 93.1 mt -69.99 -43.27 79.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.169 177.388 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 170' ' ' ALA . . . . . . . . . . . . . . . -61.96 -44.36 96.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.269 -179.909 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 171' ' ' GLY . . . . . . . . . . . . . . . -68.72 -39.67 85.91 Favored Glycine 0 CA--C 1.523 0.547 0 N-CA-C 111.194 -0.762 . . . . 0.0 111.194 178.433 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 65.4 tp -56.11 -48.21 76.62 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.803 0.335 . . . . 0.0 111.24 175.868 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 173' ' ' ARG . . . . . . . . . . . . . 38.7 ttm180 -65.51 -44.36 87.21 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.232 177.22 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -61.24 -38.97 88.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.175 -174.521 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 88.0 p -69.9 -22.01 63.26 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.254 -179.001 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 176' ' ' GLN . . . . . . . . . . . . . 50.1 tt0 -85.13 -36.34 21.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.174 177.355 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 177' ' ' THR . . . . . . . . . . . . . 81.3 p -87.53 -19.86 27.3 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.18 -177.471 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 178' ' ' GLU . . . . . . . . . . . . . 93.5 mt-10 -125.0 94.83 4.29 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.233 178.717 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 179' ' ' LYS . . . . . . . . . . . . . 88.6 tttt -57.73 123.61 16.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.213 179.519 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 180' ' ' LEU . . . . . . . . . . . . . 95.7 mt . . . . . 0 C--N 1.329 -0.326 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.246 179.217 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.866 0.365 . . . . 0.0 111.135 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 90.3 mttt -93.95 145.5 24.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.166 -176.184 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -112.55 127.38 56.06 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.235 178.286 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 22.9 tp -103.4 136.82 42.45 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.184 179.391 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 2.0 t80 -111.87 109.61 19.5 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.237 -179.714 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 87.6 t -106.56 114.99 47.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.174 178.31 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 78.5 p -87.37 134.31 33.59 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.225 179.193 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 20.0 t -144.72 70.27 1.28 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.253 173.006 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -78.34 -175.52 45.37 Favored Glycine 0 CA--C 1.523 0.594 0 N-CA-C 111.147 -0.781 . . . . 0.0 111.147 -179.827 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -57.89 -36.68 72.75 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.817 0.342 . . . . 0.0 111.203 -175.082 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 82.7 p -91.41 5.17 50.41 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.188 -172.712 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 96.0 t -97.68 108.39 45.3 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.19 179.396 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 94.7 Cg_endo -75.31 -109.64 0.01 OUTLIER 'Trans proline' 0 N--CA 1.458 -0.609 0 C-N-CA 121.691 1.594 . . . . 0.0 111.217 175.207 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 95.4 m-85 53.41 57.98 13.73 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.21 176.37 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 38.7 Cg_endo -64.49 -18.93 64.59 Favored 'Trans proline' 0 N--CA 1.459 -0.551 0 C-N-CA 121.716 1.61 . . . . 0.0 111.168 178.447 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 74.0 mmtt -78.37 -33.11 49.13 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.231 177.315 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 70.7 mt -78.57 -26.47 45.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.219 177.32 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 55.7 t -61.28 -38.79 80.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.22 171.493 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 99.2 p -82.26 -27.55 32.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.162 178.047 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 41.8 t -66.11 -46.34 77.95 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.178 -176.497 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 16.3 m -62.54 -19.83 23.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.179 -170.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 91.5 mt -119.53 35.55 4.8 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.246 176.11 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 57.6 p -96.34 163.0 13.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.251 172.338 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 97.5 m-20 -70.02 -39.74 75.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.213 178.732 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -70.23 -42.61 72.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.228 -178.154 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 70.6 t80 -60.74 -54.73 41.64 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.157 179.022 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 96.7 m -64.94 -35.21 80.43 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.247 -174.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 65.8 tt0 -59.6 -58.33 9.05 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.173 179.597 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 90.6 mt-10 -75.04 -26.73 59.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.192 -176.017 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 46.5 tp -53.02 -50.73 63.66 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.267 172.654 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 91.5 mt -60.87 -38.25 78.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.172 176.086 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 88.8 mt-30 -67.74 -20.0 65.2 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.234 178.926 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 22.6 m-30 -84.46 -5.98 59.34 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.191 176.302 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 103.01 0.64 48.35 Favored Glycine 0 CA--C 1.523 0.567 0 N-CA-C 111.224 -0.751 . . . . 0.0 111.224 179.034 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 89.5 m-85 -100.11 99.85 10.63 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.773 0.321 . . . . 0.0 111.212 -175.167 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 31.6 m -103.88 -8.93 9.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.164 172.554 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 83.9 mtt180 -105.28 113.3 26.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.168 172.281 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.467 ' HB3' HG23 ' A' ' 93' ' ' VAL . 58.5 tp -113.5 110.23 19.93 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.237 -179.222 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 93.3 mt -98.52 122.71 50.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.168 177.295 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 65.1 mt -123.21 115.79 46.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.235 178.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . 0.52 ' HG2' ' HA ' ' A' ' 98' ' ' PHE . 51.4 tt0 -105.23 119.64 39.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.148 -178.1 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 38.9 p90 -151.1 167.32 28.08 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.205 -169.864 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -104.36 -170.75 24.86 Favored Glycine 0 CA--C 1.524 0.629 0 N-CA-C 111.223 -0.751 . . . . 0.0 111.223 -176.1 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -72.87 -30.05 63.67 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.747 0.308 . . . . 0.0 111.198 -175.613 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 99.2 m-20 -66.75 -27.7 67.81 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.228 179.716 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 93.7 m-85 -98.55 -22.01 16.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.277 -176.235 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 75.4 p -62.8 -18.98 63.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.208 174.737 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 96.0 p -64.94 -16.04 62.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.248 177.177 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 74.1 mm-40 -103.0 -45.08 5.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.155 179.021 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 59.9 m-85 -61.38 -28.6 69.36 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.238 -170.337 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 -70.02 -24.18 63.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.215 -178.085 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 99.6 m-70 -111.88 -13.94 13.59 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.205 -172.782 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 57.3 mt -65.2 -35.21 80.34 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.189 177.547 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 33.5 m -77.0 -25.23 15.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.2 176.677 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 89.4 mt-30 -72.94 -24.9 60.87 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.108 175.715 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -90.62 8.44 34.2 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.218 176.777 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 90.6 mmt-85 -129.38 -1.17 5.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.206 177.133 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 75.01 26.24 67.15 Favored Glycine 0 CA--C 1.523 0.535 0 N-CA-C 111.191 -0.764 . . . . 0.0 111.191 174.745 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -98.33 -175.71 32.93 Favored Glycine 0 CA--C 1.523 0.589 0 N-CA-C 111.224 -0.75 . . . . 0.0 111.224 -179.178 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 93.7 mm-40 -122.04 174.19 7.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.799 0.333 . . . . 0.0 111.219 -179.837 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 41.1 ptt85 -166.34 153.47 9.56 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.242 175.491 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 89.1 tt0 -162.08 140.01 8.81 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.208 -178.895 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 37.5 t -57.17 116.92 3.55 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.204 176.915 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 63.3 tp60 -131.19 116.03 17.14 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.171 -176.434 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 88.6 tttt -64.94 125.1 23.83 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.163 172.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.423 ' HA ' ' HD3' ' A' ' 71' ' ' PRO . 51.1 mm -91.18 128.3 47.95 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.193 -179.386 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . 0.423 ' HD3' ' HA ' ' A' ' 70' ' ' ILE . 77.3 Cg_exo -53.61 143.55 56.44 Favored 'Trans proline' 0 N--CA 1.457 -0.632 0 C-N-CA 121.704 1.603 . . . . 0.0 111.231 179.487 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 91.3 mt -57.19 -35.84 49.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.243 -177.013 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 98.9 m-20 -52.46 -39.39 61.06 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.221 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 64.8 mt-30 -86.45 -42.57 13.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.196 178.425 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 85.6 t80 -156.37 118.12 3.91 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.273 179.55 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -65.4 144.71 47.84 Favored Glycine 0 CA--C 1.523 0.553 0 N-CA-C 111.226 -0.749 . . . . 0.0 111.226 179.635 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 34.5 t 44.92 62.06 2.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.83 0.348 . . . . 0.0 111.284 -174.626 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -103.2 34.69 5.56 Favored Glycine 0 CA--C 1.523 0.562 0 N-CA-C 111.196 -0.762 . . . . 0.0 111.196 -179.296 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 57.2 p-10 -90.79 8.11 36.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.745 0.307 . . . . 0.0 111.185 -177.818 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 77.5 p -114.96 5.42 15.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.226 173.553 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -81.05 166.0 21.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.186 -177.083 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 32.6 ttm180 -140.06 130.81 25.85 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.201 177.182 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 62.4 tt0 -82.17 132.04 35.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.219 178.746 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' TYR . . . . . 0.495 ' HB2' ' HB ' ' A' ' 93' ' ' VAL . 88.4 m-85 -115.5 139.99 49.56 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.195 174.325 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 61.6 t -109.99 99.6 9.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.244 -172.531 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.429 HD13 ' HA ' ' A' ' 86' ' ' LEU . 2.5 mm? -117.07 159.25 22.84 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.18 -176.787 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 94.0 mmm 60.25 30.77 20.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.21 -179.25 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 96.4 m-20 65.05 31.22 11.29 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.234 -179.867 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 95.04 -3.35 66.89 Favored Glycine 0 CA--C 1.523 0.575 0 N-CA-C 111.21 -0.756 . . . . 0.0 111.21 176.182 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -75.34 -24.99 57.42 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.876 0.369 . . . . 0.0 111.222 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 52.4 tp -112.48 123.97 51.46 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.23 177.146 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -95.89 100.31 12.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.204 179.884 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . 0.495 ' HB ' ' HB2' ' A' ' 84' ' ' TYR . 60.8 t -104.9 113.42 41.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.242 -175.696 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 44.4 mm -110.0 124.18 66.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.236 -177.277 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -100.01 140.06 14.74 Favored Glycine 0 CA--C 1.523 0.557 0 N-CA-C 111.239 -0.744 . . . . 0.0 111.239 178.133 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 96.4 m-85 -123.46 149.87 44.56 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.853 0.359 . . . . 0.0 111.231 179.63 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 68.1 t0 -72.97 116.04 13.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.179 172.16 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . 0.52 ' HA ' ' HG2' ' A' ' 45' ' ' GLN . 73.6 t80 -47.92 121.43 4.17 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.161 -171.503 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 52.4 m -142.01 120.5 12.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.173 178.101 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 94.7 m -65.58 -36.57 84.14 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.234 -173.726 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -74.87 -15.91 60.7 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.145 -175.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 66.6 mtt -106.06 7.5 31.86 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.16 -174.887 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 77.7 mt-30 -64.63 -44.49 90.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.154 179.495 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 66.8 m -64.72 -29.75 70.74 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.23 -176.73 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 96.9 mt -59.98 -48.43 87.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.169 175.86 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 96.7 mt -70.24 -41.56 78.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.183 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 89.1 mtm-85 -59.46 -43.61 93.16 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.16 -178.591 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 95.9 m-20 -63.19 -41.47 99.2 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.185 178.523 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 109' ' ' TYR . . . . . . . . . . . . . 72.8 t80 -71.29 -33.74 70.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.166 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 78.9 p -73.68 172.45 11.41 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.158 -171.592 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 54.9 m-20 -113.98 -34.6 5.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.198 173.862 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 56.5 tp -132.68 119.96 21.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.148 179.42 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 88.5 t -100.86 133.29 44.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.306 -176.205 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 114' ' ' ILE . . . . . 0.425 HD11 HD11 ' A' ' 168' ' ' LEU . 64.0 mt -113.46 113.67 44.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.174 178.456 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 47.2 t -100.39 154.22 18.69 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.194 176.58 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 80.4 m80 -125.88 113.38 17.14 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.194 -173.112 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . 50.38 47.63 23.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.213 174.294 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 164.63 -166.55 38.01 Favored Glycine 0 CA--C 1.524 0.633 0 N-CA-C 111.21 -0.756 . . . . 0.0 111.21 179.198 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 40.6 p -115.39 -108.08 0.37 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.745 0.307 . . . . 0.0 111.215 176.643 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 60.64 16.22 44.05 Favored Glycine 0 CA--C 1.523 0.54 0 N-CA-C 111.201 -0.76 . . . . 0.0 111.201 -178.373 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 20.0 m -141.05 -29.82 0.64 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.736 0.303 . . . . 0.0 111.162 -169.082 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 122' ' ' ILE . . . . . . . . . . . . . 41.4 pt -75.26 -16.02 15.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.282 -172.194 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 97.8 mt -66.37 -35.35 80.12 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.22 -174.654 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 70.8 m-20 -96.48 -32.77 12.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.227 178.594 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 33.5 t -60.84 -50.52 73.09 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.148 -179.777 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 89.9 mt -65.46 -44.41 87.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.186 -173.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 51.2 ptt85 -69.08 -21.86 64.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.24 -174.289 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 94.5 mt -102.4 6.85 40.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.192 -176.757 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 77.3 m-20 64.53 35.81 9.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.216 177.846 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 89.7 mttt -106.07 141.48 22.82 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.2 -178.178 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 58.5 Cg_endo -68.14 152.78 76.0 Favored 'Trans proline' 0 N--CA 1.458 -0.606 0 C-N-CA 121.695 1.597 . . . . 0.0 111.215 175.497 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 132' ' ' LEU . . . . . 0.451 ' O ' ' HA ' ' A' ' 158' ' ' VAL . 5.2 tt -140.35 129.75 23.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.173 179.578 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 96.6 mt -95.93 141.69 14.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.24 174.782 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 97.7 t -118.94 119.99 62.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.143 174.464 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 135' ' ' CYS . . . . . . . . . . . . . 89.6 m -89.82 134.07 34.39 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.102 174.506 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 66.0 t -105.55 134.93 45.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.142 -175.25 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 47.7 p30 . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.203 -172.825 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.803 0.335 . . . . 0.0 111.196 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 97.2 m-20 -66.07 -32.25 73.6 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.197 177.404 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 151' ' ' LYS . . . . . . . . . . . . . 69.0 mmtt -81.1 -30.32 34.67 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.25 179.657 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 152' ' ' PHE . . . . . . . . . . . . . 19.0 m-30 -63.24 -42.33 99.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.247 171.736 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 153' ' ' VAL . . . . . . . . . . . . . 62.5 t -69.5 -40.54 79.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.15 176.329 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 40.8 tt0 -52.9 -43.54 66.27 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.234 176.429 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 155' ' ' LEU . . . . . . . . . . . . . 56.7 tp -65.97 -52.17 51.99 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.19 174.018 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . 96.32 -5.15 65.1 Favored Glycine 0 CA--C 1.523 0.577 0 N-CA-C 111.143 -0.783 . . . . 0.0 111.143 174.53 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 157' ' ' TYR . . . . . . . . . . . . . 42.1 m-85 -112.12 -1.68 15.22 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.876 0.37 . . . . 0.0 111.235 -178.081 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 158' ' ' VAL . . . . . 0.451 ' HA ' ' O ' ' A' ' 132' ' ' LEU . 73.4 t -130.57 140.97 47.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.158 -179.661 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 159' ' ' TRP . . . . . . . . . . . . . 15.9 m-90 -129.36 140.39 51.39 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.256 -179.614 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 160' ' ' SER . . . . . . . . . . . . . 30.2 t -87.95 131.33 34.65 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.18 179.806 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 161' ' ' CYS . . . . . 0.401 ' SG ' ' HA3' ' A' ' 171' ' ' GLY . 91.1 m -115.49 145.09 42.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.225 173.372 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -78.97 156.16 77.19 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.131 175.662 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 163' ' ' PRO . . . . . . . . . . . . . 88.4 Cg_endo -78.91 61.3 8.07 Favored 'Trans proline' 0 N--CA 1.459 -0.559 0 C-N-CA 121.685 1.59 . . . . 0.0 111.223 -179.584 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 164' ' ' THR . . . . . . . . . . . . . 12.8 p -133.29 -179.87 5.78 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.223 179.841 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 165' ' ' GLU . . . . . . . . . . . . . 99.8 mt-10 -81.24 4.93 18.63 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.215 176.912 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 166' ' ' THR . . . . . . . . . . . . . 82.7 p -127.8 -24.57 3.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.173 -174.724 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 167' ' ' GLY . . . . . . . . . . . . . . . -58.68 -45.8 94.25 Favored Glycine 0 CA--C 1.523 0.581 0 N-CA-C 111.175 -0.77 . . . . 0.0 111.175 -174.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 168' ' ' LEU . . . . . 0.425 HD11 HD11 ' A' ' 114' ' ' ILE . 39.4 tp -68.48 -36.66 79.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.772 0.32 . . . . 0.0 111.109 -176.601 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 97.1 mt -59.42 -43.11 89.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.208 179.217 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 170' ' ' ALA . . . . . . . . . . . . . . . -64.93 -37.99 89.49 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.145 176.784 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 171' ' ' GLY . . . . . 0.401 ' HA3' ' SG ' ' A' ' 161' ' ' CYS . . . -64.97 -38.84 95.97 Favored Glycine 0 CA--C 1.523 0.571 0 N-CA-C 111.229 -0.748 . . . . 0.0 111.229 177.603 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 82.5 mt -64.18 -40.56 96.36 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.841 0.353 . . . . 0.0 111.227 178.004 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 173' ' ' ARG . . . . . . . . . . . . . 29.6 ttm180 -65.02 -41.11 95.6 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.179 175.241 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -64.98 -37.92 89.26 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.241 -177.607 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 59.5 p -65.05 -27.17 68.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.216 -177.495 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 176' ' ' GLN . . . . . . . . . . . . . 90.9 mm-40 -98.67 -26.25 14.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.213 -177.04 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 177' ' ' THR . . . . . . . . . . . . . 90.1 m -72.58 -39.96 66.99 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.194 178.42 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 178' ' ' GLU . . . . . . . . . . . . . 71.1 tt0 -85.55 109.16 18.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.188 -175.26 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 179' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -62.65 130.34 44.55 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.19 177.686 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 180' ' ' LEU . . . . . . . . . . . . . 58.4 mt . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.13 -175.635 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 . . . . . 0 C--O 1.232 0.163 0 CA-C-O 120.761 0.315 . . . . 0.0 111.242 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 96.3 mttt -87.49 151.44 23.02 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.216 173.221 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -107.86 130.73 54.98 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.167 -175.099 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 21.5 tp -113.64 109.58 18.83 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.243 176.341 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 60.5 t80 -94.34 117.25 29.83 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.216 -176.732 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 59.5 t -115.04 118.36 58.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.186 -179.771 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 52.1 m -99.14 115.03 28.11 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.215 175.784 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 74.0 m -87.45 129.56 35.01 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.227 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -113.8 -167.05 16.22 Favored Glycine 0 CA--C 1.523 0.591 0 N-CA-C 111.218 -0.753 . . . . 0.0 111.218 -177.495 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -78.83 -22.45 46.14 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.779 0.323 . . . . 0.0 111.174 179.036 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 8.9 t -85.05 175.01 9.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.184 179.019 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 64.9 t 52.64 114.97 0.01 OUTLIER Pre-proline 0 C--N 1.329 -0.287 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.257 -167.525 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . 0.407 ' O ' ' N ' ' A' ' 21' ' ' LEU . 76.9 Cg_exo -53.15 143.31 52.05 Favored 'Trans proline' 0 N--CA 1.459 -0.535 0 C-N-CA 121.697 1.598 . . . . 0.0 111.148 -177.672 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . 0.543 ' N ' ' HD2' ' A' ' 19' ' ' PRO . 10.5 m-30 -55.05 -48.52 95.86 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.228 -171.779 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . 0.543 ' HD2' ' N ' ' A' ' 18' ' ' PHE . 72.9 Cg_endo -74.34 -13.55 23.0 Favored 'Trans proline' 0 N--CA 1.459 -0.501 0 C-N-CA 121.685 1.59 . . . . 0.0 111.118 -177.953 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -102.87 0.3 32.31 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.239 172.142 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.464 HD21 ' C ' ' A' ' 21' ' ' LEU . 7.1 tt -95.16 -50.01 5.25 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.152 178.924 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 76.4 t -80.25 -34.33 14.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.194 -174.077 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 93.3 p -65.06 -19.76 66.15 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.279 -175.242 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 99.4 m -65.12 -42.65 93.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.208 179.35 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 33.0 m -95.67 -15.06 7.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.239 -174.511 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 2.6 mp -100.04 16.85 22.65 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.192 173.296 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 83.9 p -79.53 165.0 23.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.137 171.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 46.4 m-20 -80.38 -34.25 36.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.184 177.03 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -72.27 -38.6 68.78 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.144 -177.432 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 56.4 t80 -65.02 -51.27 62.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.239 176.447 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 95.5 m -68.13 -29.81 68.8 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.17 -176.42 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 65.2 tt0 -52.57 -58.15 7.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.18 178.558 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 92.8 mt-10 -75.41 -33.11 60.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.18 -179.541 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 31.9 tp -52.69 -49.74 64.71 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.173 178.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 43.6 mm -65.94 -39.16 83.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.121 178.83 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 87.3 mt-30 -68.2 -20.87 64.88 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.181 178.662 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 19.4 m-30 -87.63 -8.42 56.23 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.163 177.699 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 98.28 8.85 54.61 Favored Glycine 0 CA--C 1.523 0.582 0 N-CA-C 111.17 -0.772 . . . . 0.0 111.17 172.743 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 74.4 m-85 -90.03 123.7 34.14 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.829 0.347 . . . . 0.0 111.172 -177.404 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 78.7 t -125.25 -36.24 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.213 -177.745 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 98.4 mtt180 -90.05 88.35 7.25 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.206 -173.389 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.401 HD21 HG23 ' A' ' 93' ' ' VAL . 54.5 tp -82.31 109.95 17.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.19 178.194 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 73.8 mt -109.15 111.29 35.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.188 -171.502 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 43.8 mm -104.42 114.98 45.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.154 -169.366 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 51.1 tt0 -96.94 126.08 41.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.204 172.017 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . 0.464 ' HB2' ' CD1' ' A' ' 50' ' ' TYR . 53.5 p90 -151.17 169.9 20.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.206 178.889 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -94.09 -59.24 1.18 Allowed Glycine 0 CA--C 1.524 0.642 0 N-CA-C 111.248 -0.741 . . . . 0.0 111.248 177.622 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 51.4 ptt85 -170.65 151.7 3.62 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.834 0.35 . . . . 0.0 111.14 179.451 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 52.2 t30 64.95 38.72 6.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.293 178.725 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . 0.464 ' CD1' ' HB2' ' A' ' 46' ' ' PHE . 93.3 m-85 -120.31 -43.63 2.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.202 171.469 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 91.0 p -66.63 -15.12 63.24 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.198 174.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 94.4 p -67.98 -29.84 68.96 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.283 171.321 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 77.3 mm-40 -79.94 -33.22 39.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.197 177.664 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 44.9 m-85 -61.85 -43.28 99.16 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.191 172.6 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 39.7 tt0 -57.0 -48.47 78.38 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.146 176.625 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 82.0 t60 -57.13 -50.38 72.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.224 -178.475 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 93.7 mt -74.15 -39.11 63.49 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.127 -171.037 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 66.8 t -69.91 -39.85 78.08 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.232 179.679 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 73.1 tp60 -65.04 -36.99 86.12 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.19 172.834 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -63.52 -38.0 89.44 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.208 175.246 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 83.4 mtt-85 -71.01 -30.1 66.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.144 175.36 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 88.46 31.08 14.21 Favored Glycine 0 CA--C 1.523 0.54 0 N-CA-C 111.189 -0.764 . . . . 0.0 111.189 178.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -89.56 -165.07 40.65 Favored Glycine 0 CA--C 1.523 0.545 0 N-CA-C 111.174 -0.77 . . . . 0.0 111.174 179.466 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 97.0 mm-40 -103.89 157.61 16.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.791 0.329 . . . . 0.0 111.207 177.642 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 52.0 ptt85 -166.34 154.96 10.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.125 -173.87 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -154.45 131.05 10.64 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.198 176.159 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 33.3 t -79.51 139.89 37.43 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.149 176.904 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 88.9 mm-40 -117.94 147.88 42.72 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.228 -176.429 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 95.8 mttt -124.34 90.01 3.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.228 168.813 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.439 ' HA ' ' HD3' ' A' ' 71' ' ' PRO . 79.5 mt -104.57 132.65 20.73 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.153 -163.713 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . 0.439 ' HD3' ' HA ' ' A' ' 70' ' ' ILE . 74.9 Cg_exo -54.95 130.02 38.45 Favored 'Trans proline' 0 N--CA 1.458 -0.605 0 C-N-CA 121.701 1.601 . . . . 0.0 111.169 179.556 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 97.0 mt -74.12 -39.47 50.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.19 176.067 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 98.3 m-20 -67.04 -26.37 66.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.164 -176.156 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 98.2 mm-40 -98.2 -44.86 6.42 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.166 -174.401 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 90.7 m-85 -115.96 -41.72 3.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.175 -173.894 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 113.05 -13.7 23.99 Favored Glycine 0 CA--C 1.524 0.605 0 N-CA-C 111.195 -0.762 . . . . 0.0 111.195 173.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 86.8 m -75.87 161.44 28.98 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.784 0.326 . . . . 0.0 111.198 177.223 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -100.5 -155.25 27.5 Favored Glycine 0 CA--C 1.522 0.53 0 N-CA-C 111.232 -0.747 . . . . 0.0 111.232 -175.762 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 57.7 p-10 -104.71 5.02 33.1 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.852 0.358 . . . . 0.0 111.207 176.727 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 72.1 p -98.27 -5.64 32.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.153 172.294 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -55.81 133.93 51.43 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.237 175.85 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -139.92 144.98 37.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.252 177.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 84.9 mt-30 -113.28 142.82 45.38 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.222 179.391 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' TYR . . . . . 0.446 ' HB2' ' HB ' ' A' ' 93' ' ' VAL . 53.5 m-85 -137.42 150.08 47.37 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.158 -176.007 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 74.9 t -118.71 115.11 47.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.149 -179.231 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 93.3 mt -126.92 167.62 15.61 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.204 -175.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 98.2 mmm 59.96 30.48 19.98 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.265 178.323 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 96.4 m-20 64.95 33.88 9.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.189 178.142 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 95.9 -3.92 65.25 Favored Glycine 0 CA--C 1.523 0.565 0 N-CA-C 111.245 -0.742 . . . . 0.0 111.245 176.241 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -79.3 -23.76 43.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.814 0.34 . . . . 0.0 111.229 -179.055 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 68.7 tp -115.0 120.05 38.57 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.218 177.064 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 94.1 mttt -106.64 115.1 29.62 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.267 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . 0.446 ' HB ' ' HB2' ' A' ' 84' ' ' TYR . 50.5 t -109.38 120.8 61.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.162 -172.87 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 80.9 mt -128.39 118.69 48.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.177 176.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -101.71 158.9 18.48 Favored Glycine 0 CA--C 1.523 0.59 0 N-CA-C 111.178 -0.769 . . . . 0.0 111.178 176.14 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 48.9 p90 -154.78 158.34 39.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.818 0.342 . . . . 0.0 111.194 176.619 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 67.7 t0 -82.92 121.24 26.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.218 172.097 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 26.8 p90 -50.09 146.76 4.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.131 -174.083 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 59.5 p -155.03 -177.48 6.57 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.227 179.618 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 75.7 p -95.34 4.83 53.01 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.185 172.856 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 76.0 mmtt -105.93 -24.79 12.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.255 -178.882 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 91.5 mmm -80.07 -8.94 59.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.193 178.232 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 99.1 mm-40 -57.62 -36.82 72.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.192 -173.867 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 45.5 t -67.96 -50.04 58.18 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.213 178.649 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 94.6 mt -59.89 -39.72 80.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.23 -179.866 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 94.9 mt -60.3 -47.38 92.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.193 178.455 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -74.58 -30.03 61.55 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.288 -178.142 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -74.0 -35.04 64.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.179 -178.866 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 109' ' ' TYR . . . . . . . . . . . . . 89.2 m-85 -125.08 80.09 1.85 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.148 -176.278 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 41.2 t -155.31 118.25 4.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.207 176.744 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 60.5 m-20 -110.86 -33.56 6.49 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.223 177.342 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 68.3 tp -128.92 132.02 47.62 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.171 171.487 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 96.0 t -113.62 119.5 61.08 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.189 -176.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 114' ' ' ILE . . . . . 0.414 ' HA ' ' O ' ' A' ' 133' ' ' ILE . 97.2 mt -107.58 130.05 60.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.147 169.729 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 43.0 t -123.4 133.91 54.03 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.217 179.908 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 99.6 m-70 -100.96 81.95 2.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.161 169.771 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . 57.38 50.63 11.08 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.237 -176.243 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -95.5 -178.9 36.78 Favored Glycine 0 CA--C 1.524 0.644 0 N-CA-C 111.224 -0.75 . . . . 0.0 111.224 172.263 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 45.7 m -124.96 -59.44 1.42 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.864 0.364 . . . . 0.0 111.19 176.323 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -64.89 -32.64 84.88 Favored Glycine 0 CA--C 1.524 0.601 0 N-CA-C 111.22 -0.752 . . . . 0.0 111.22 -176.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 75.0 m -66.52 -41.26 89.05 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.903 0.382 . . . . 0.0 111.255 177.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 122' ' ' ILE . . . . . . . . . . . . . 63.8 mt -61.05 -44.97 99.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.163 175.231 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 92.3 mt -70.4 -49.3 50.41 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.224 -174.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 87.3 m-20 -71.95 -31.51 66.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.146 -172.466 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 47.2 t -53.49 -45.3 69.61 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.233 173.321 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 96.2 mt -74.72 -32.14 62.05 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.215 179.794 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 51.4 mtp180 -63.26 -31.33 72.45 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.135 175.459 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 95.7 mt -88.35 -5.0 58.57 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.22 178.808 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 56.5 t30 63.28 41.6 7.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.157 -176.218 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 37.9 mmtm -114.39 146.54 36.07 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.233 179.756 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 61.4 Cg_exo -55.02 141.39 79.17 Favored 'Trans proline' 0 N--CA 1.458 -0.607 0 C-N-CA 121.757 1.638 . . . . 0.0 111.174 179.688 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 63.3 tp -121.32 115.19 22.49 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.15 -174.821 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 133' ' ' ILE . . . . . 0.414 ' O ' ' HA ' ' A' ' 114' ' ' ILE . 70.5 mt -107.1 126.83 63.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.2 173.405 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 77.6 t -120.44 121.91 66.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.215 179.552 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 135' ' ' CYS . . . . . . . . . . . . . 53.9 t -121.76 113.97 20.44 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.14 -178.22 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 28.3 m -135.05 158.39 41.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.141 -169.583 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 58.1 t-20 . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.257 171.853 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.075 0 CA-C-O 120.753 0.311 . . . . 0.0 111.162 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 98.9 m-20 -63.06 -49.11 75.83 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.178 179.822 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 151' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -71.99 -31.75 66.56 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.212 -178.758 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 152' ' ' PHE . . . . . . . . . . . . . 1.3 t80 -61.68 -50.34 72.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.232 -178.55 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 153' ' ' VAL . . . . . . . . . . . . . 8.3 p -75.67 -25.07 17.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.173 178.898 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -63.41 -39.41 94.41 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.258 175.659 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 155' ' ' LEU . . . . . . . . . . . . . 97.6 mt -74.07 -19.57 60.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.179 179.788 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . 83.76 34.07 19.89 Favored Glycine 0 CA--C 1.523 0.531 0 N-CA-C 111.237 -0.745 . . . . 0.0 111.237 173.48 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 157' ' ' TYR . . . . . . . . . . . . . 34.3 m-85 -113.05 18.66 17.86 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.859 0.361 . . . . 0.0 111.267 179.419 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 158' ' ' VAL . . . . . . . . . . . . . 11.6 p -162.02 150.52 4.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.199 -178.146 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 159' ' ' TRP . . . . . . . . . . . . . 19.2 m-90 -96.53 111.85 23.81 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.202 168.93 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 160' ' ' SER . . . . . . . . . . . . . 32.1 t -90.84 130.45 36.79 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.17 -177.421 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 161' ' ' CYS . . . . . . . . . . . . . 89.3 m -118.8 151.4 38.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.147 -178.664 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -72.75 154.95 91.16 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.249 175.79 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 163' ' ' PRO . . . . . . . . . . . . . 88.1 Cg_endo -76.33 64.64 7.2 Favored 'Trans proline' 0 N--CA 1.458 -0.588 0 C-N-CA 121.717 1.611 . . . . 0.0 111.186 179.296 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 164' ' ' THR . . . . . . . . . . . . . 12.5 t -159.97 -179.81 8.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.231 -179.307 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 165' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -64.98 -49.96 68.21 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.161 -171.928 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 166' ' ' THR . . . . . . . . . . . . . 81.2 p -80.89 -17.14 51.6 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.118 -172.143 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 167' ' ' GLY . . . . . . . . . . . . . . . -64.93 -49.58 62.23 Favored Glycine 0 CA--C 1.523 0.576 0 N-CA-C 111.216 -0.754 . . . . 0.0 111.216 179.512 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 168' ' ' LEU . . . . . . . . . . . . . 31.4 tp -70.33 -34.4 72.63 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.87 0.367 . . . . 0.0 111.2 179.417 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 96.8 mt -61.25 -42.14 92.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.186 177.647 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 170' ' ' ALA . . . . . . . . . . . . . . . -60.79 -38.87 86.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.211 175.836 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 171' ' ' GLY . . . . . . . . . . . . . . . -64.77 -41.38 97.62 Favored Glycine 0 CA--C 1.523 0.57 0 N-CA-C 111.244 -0.742 . . . . 0.0 111.244 177.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 59.1 tp -54.94 -48.97 72.45 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.882 0.372 . . . . 0.0 111.229 177.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 173' ' ' ARG . . . . . . . . . . . . . 39.9 ttm180 -65.51 -40.85 93.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.203 176.686 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -65.01 -33.18 75.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.205 -173.643 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 53.2 p -64.96 -21.11 66.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.266 -179.723 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 176' ' ' GLN . . . . . . . . . . . . . 93.7 mm-40 -102.82 -33.45 9.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.206 -177.671 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 177' ' ' THR . . . . . . . . . . . . . 99.0 m -74.56 -43.99 53.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.192 -178.333 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 178' ' ' GLU . . . . . . . . . . . . . 73.4 mm-40 -117.04 175.87 5.39 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.169 -173.289 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 179' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -129.79 166.49 19.8 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.16 177.845 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 180' ' ' LEU . . . . . . . . . . . . . 89.7 mt . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.213 -179.925 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 7.4 tp10 . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.828 0.347 . . . . 0.0 111.206 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 46.4 mtmt -56.31 112.04 1.13 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.179 -179.751 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -138.4 149.44 45.53 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.227 179.121 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.401 HD22 HD21 ' A' ' 112' ' ' LEU . 30.9 mt -90.65 141.15 29.08 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.195 177.108 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 75.6 m-85 -129.98 118.02 20.96 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.175 167.124 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . 0.413 HG23 ' HB ' ' A' ' 114' ' ' ILE . 89.7 t -103.11 134.19 44.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.216 -176.88 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 92.7 m -116.58 114.47 24.16 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.207 173.604 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 52.7 t -93.18 124.71 37.35 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.26 172.21 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -75.63 171.61 54.22 Favored Glycine 0 CA--C 1.522 0.525 0 N-CA-C 111.23 -0.748 . . . . 0.0 111.23 177.536 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -68.95 -34.92 76.14 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.784 0.326 . . . . 0.0 111.194 -177.052 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 76.2 p -94.82 -9.32 34.78 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.155 -179.102 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 96.2 t -72.54 128.78 88.05 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.247 -179.587 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 48.1 Cg_endo -66.57 106.36 1.06 Allowed 'Trans proline' 0 N--CA 1.457 -0.661 0 C-N-CA 121.692 1.595 . . . . 0.0 111.218 178.537 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . 0.561 ' N ' ' CD ' ' A' ' 19' ' ' PRO . 80.3 t80 -72.01 -41.62 8.98 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.225 -179.436 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . 0.561 ' CD ' ' N ' ' A' ' 18' ' ' PHE . 80.8 Cg_exo -54.08 -31.76 66.21 Favored 'Trans proline' 0 N--CA 1.458 -0.586 0 C-N-CA 121.69 1.594 . . . . 0.0 111.21 -178.802 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 96.7 mttt -88.77 -37.96 15.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.135 177.317 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 68.9 tp -64.07 -58.37 6.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.233 -176.423 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 9.9 p -62.65 -26.07 39.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.154 -173.57 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 58.6 m -64.76 -50.0 68.54 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.199 175.933 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 97.0 m -64.97 -37.0 86.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.237 177.659 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 56.6 t -64.18 -39.17 84.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.204 179.209 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 82.7 mt -107.33 31.84 5.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.219 -177.577 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 55.7 m -70.58 148.87 47.68 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.242 173.309 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 90.4 m-20 -65.27 -48.36 73.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.203 -176.173 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -68.51 -34.98 76.84 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.177 179.684 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 79.3 t80 -58.26 -52.96 63.39 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.224 175.451 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 85.0 m -70.1 -28.0 65.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.234 -176.733 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 65.8 tt0 -60.95 -60.05 4.41 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.186 178.478 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -67.5 -33.24 74.68 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.182 177.793 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 45.0 tp -54.98 -49.92 70.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.155 178.615 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 87.0 mt -61.31 -37.62 78.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.135 178.433 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 88.8 mt-30 -67.47 -20.88 65.53 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.268 -0.423 . . . . 0.0 111.2 177.331 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 22.4 m-30 -88.78 -4.56 58.47 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.162 179.216 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 98.9 10.9 48.17 Favored Glycine 0 CA--C 1.523 0.59 0 N-CA-C 111.153 -0.779 . . . . 0.0 111.153 174.6 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 75.8 m-85 -104.09 105.59 15.81 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.768 0.318 . . . . 0.0 111.183 177.653 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 34.3 m -119.5 -0.91 8.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.211 -177.692 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 70.9 mtt85 -125.33 139.97 53.22 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.162 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 23.6 tp -143.82 135.91 26.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.163 -176.103 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.5 HG12 ' HB ' ' A' ' 94' ' ' ILE . 46.4 mt -122.07 129.39 75.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.197 166.857 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 81.0 mt -109.4 122.44 64.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.164 -177.253 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 61.3 tt0 -92.45 119.95 32.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.275 178.664 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 48.3 p90 -149.98 164.96 34.11 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.154 -175.005 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -94.96 -166.72 35.88 Favored Glycine 0 CA--C 1.524 0.622 0 N-CA-C 111.216 -0.754 . . . . 0.0 111.216 -175.028 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -76.61 -38.34 54.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.763 0.316 . . . . 0.0 111.217 -177.348 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 99.3 m-20 -74.2 -36.67 64.0 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.167 176.894 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 15.9 m-30 -85.71 60.32 6.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.177 -178.384 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 88.4 p -134.89 -7.54 2.39 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.218 -177.152 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 69.9 m -65.46 -58.95 4.58 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.196 -176.515 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 66.9 mm-40 -75.45 -16.66 60.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.216 -176.234 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 70.4 t80 -55.88 -52.39 64.24 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.183 179.195 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 56.7 mt-10 -87.01 -23.22 25.08 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.245 -175.907 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 62.5 m170 -60.2 -43.71 95.7 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.232 179.701 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 94.2 mt -65.49 -29.65 70.33 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.23 -178.882 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 75.3 t -73.25 -37.67 52.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.209 177.563 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 88.2 mt-30 -66.16 -31.5 72.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.109 176.882 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -64.23 -31.64 72.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.213 176.832 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 74.5 mmt-85 -96.66 -17.13 20.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.188 -175.902 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 87.21 33.89 11.35 Favored Glycine 0 CA--C 1.523 0.587 0 N-CA-C 111.23 -0.748 . . . . 0.0 111.23 176.554 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -75.87 175.77 51.73 Favored Glycine 0 CA--C 1.523 0.565 0 N-CA-C 111.267 -0.733 . . . . 0.0 111.267 177.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 62.4 tp60 -130.1 113.78 14.94 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.873 0.368 . . . . 0.0 111.114 -176.906 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 53.0 ttp180 -61.05 113.15 2.39 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.115 172.196 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 93.8 mt-10 -127.43 118.68 24.53 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.218 176.554 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 39.6 t -73.01 131.12 41.74 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.154 175.363 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 89.8 mm-40 -129.64 137.86 50.89 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.228 -174.78 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 96.9 mttt -95.15 75.52 3.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.174 173.594 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.404 HG23 ' HD2' ' A' ' 71' ' ' PRO . 87.6 mt -87.64 135.91 33.53 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.198 -169.677 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . 0.404 ' HD2' HG23 ' A' ' 70' ' ' ILE . 71.1 Cg_endo -72.42 142.07 36.27 Favored 'Trans proline' 0 N--CA 1.458 -0.58 0 C-N-CA 121.69 1.593 . . . . 0.0 111.23 177.536 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 96.6 mt -82.33 -45.4 19.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.199 177.373 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 99.8 m-20 -63.8 -36.59 84.41 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.157 -175.061 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 99.5 mm-40 -88.48 -66.57 0.9 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.217 -178.249 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 63.0 t80 -77.25 -54.69 6.18 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.21 -174.609 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 123.7 17.61 3.12 Favored Glycine 0 CA--C 1.524 0.627 0 N-CA-C 111.205 -0.758 . . . . 0.0 111.205 176.343 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' CYS . . . . . 0.451 ' HA ' ' SD ' ' A' ' 102' ' ' MET . 42.0 t -136.79 152.14 49.96 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.789 0.328 . . . . 0.0 111.228 -178.328 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -74.0 174.67 48.88 Favored Glycine 0 CA--C 1.523 0.571 0 N-CA-C 111.236 -0.745 . . . . 0.0 111.236 -176.006 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 57.6 p-10 -94.44 15.91 16.57 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.78 0.324 . . . . 0.0 111.17 -173.619 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 40.1 p -113.56 38.33 2.95 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.225 174.472 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -85.85 137.96 32.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.237 -169.261 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 84.2 mtt85 -109.99 99.66 8.73 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.192 169.239 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 62.7 tt0 -85.43 135.21 33.96 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.257 -175.118 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 84.8 m-85 -124.19 145.42 49.34 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.177 178.166 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 88.8 t -102.83 111.72 33.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.249 -171.737 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 93.9 mt -123.8 161.89 24.33 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.149 177.407 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 92.1 mmm 59.93 30.51 20.02 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.235 178.217 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 96.4 m-20 65.09 34.33 8.81 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.215 178.562 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 95.02 -2.92 66.54 Favored Glycine 0 CA--C 1.523 0.589 0 N-CA-C 111.209 -0.756 . . . . 0.0 111.209 175.424 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -82.5 -20.26 37.12 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.726 0.298 . . . . 0.0 111.219 -178.646 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 61.1 tp -120.4 123.54 43.31 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.208 176.083 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -110.38 105.65 14.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.16 -178.405 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 74.0 t -108.41 126.29 65.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.194 -174.73 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . 0.5 ' HB ' HG12 ' A' ' 43' ' ' ILE . 98.7 mt -113.48 131.98 63.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.222 178.686 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -76.21 127.31 8.73 Favored Glycine 0 CA--C 1.523 0.565 0 N-CA-C 111.22 -0.752 . . . . 0.0 111.22 175.18 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 54.5 t80 -64.74 120.78 13.09 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.861 0.362 . . . . 0.0 111.227 -178.732 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 36.7 t0 -145.06 43.58 1.33 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.242 171.043 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 43.3 m-85 -120.01 -179.89 4.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.213 -164.132 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 65.1 p -94.61 -170.05 2.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.146 -177.401 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 16.6 m -62.45 -22.18 66.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.251 -179.439 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -56.88 -32.03 65.44 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.25 177.906 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 102' ' ' MET . . . . . 0.459 ' SD ' HD13 ' A' ' 105' ' ' ILE . 92.5 mmm -88.99 -27.13 21.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.138 177.013 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 92.3 mt-30 -63.59 -33.35 75.41 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.165 176.31 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 41.1 t -65.87 -43.06 89.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.229 170.256 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 105' ' ' ILE . . . . . 0.459 HD13 ' SD ' ' A' ' 102' ' ' MET . 64.0 mt -65.26 -35.95 76.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.169 -177.926 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 71.6 mt -55.44 -31.69 28.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.213 178.389 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 80.0 mtm180 -109.86 -33.07 6.84 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.137 -170.361 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 67.3 m-20 -102.19 -50.55 3.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.17 -169.635 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 109' ' ' TYR . . . . . . . . . . . . . 93.2 m-85 -95.49 -5.14 43.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.13 -172.674 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 87.5 p -66.05 164.84 14.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.258 170.614 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 34.3 t70 -107.74 -38.55 5.83 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.181 172.713 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . 0.401 HD21 HD22 ' A' ' 8' ' ' LEU . 60.5 tp -138.01 116.01 11.64 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.241 179.878 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 85.2 t -94.2 136.63 25.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.227 -176.645 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 114' ' ' ILE . . . . . 0.413 ' HB ' HG23 ' A' ' 10' ' ' VAL . 90.0 mt -123.19 131.56 73.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.194 176.396 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 22.7 t -162.55 162.44 27.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.198 176.013 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 63.1 t-80 -85.61 146.03 27.06 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.217 176.318 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . 0.433 ' HA ' HD11 ' A' ' 122' ' ' ILE . . . -54.29 132.86 44.56 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.193 177.087 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 107.18 15.27 16.44 Favored Glycine 0 CA--C 1.523 0.591 0 N-CA-C 111.198 -0.761 . . . . 0.0 111.198 172.483 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 48.2 p -106.59 172.55 6.75 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.757 0.313 . . . . 0.0 111.217 174.738 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -85.7 -30.81 22.96 Favored Glycine 0 CA--C 1.523 0.575 0 N-CA-C 111.251 -0.74 . . . . 0.0 111.251 174.096 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 42.7 t -64.74 -38.97 92.81 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.803 0.335 . . . . 0.0 111.14 178.65 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 122' ' ' ILE . . . . . 0.49 HG13 HD11 ' A' ' 132' ' ' LEU . 13.7 tt -69.78 -19.98 23.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.205 -178.805 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 90.7 mt -93.0 -24.75 18.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.161 -179.782 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 87.2 m-20 -64.38 -37.83 88.88 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.151 175.926 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 74.6 m -62.3 -32.59 73.35 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.27 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 81.2 mt -64.3 -49.77 70.49 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.218 178.521 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 46.1 ptt85 -75.1 -20.0 59.67 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.196 -176.554 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 95.9 mt -93.61 -9.31 38.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.199 179.199 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 91.9 m-20 63.46 38.47 9.89 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.253 -179.48 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 12.9 mmmm -101.01 140.78 21.58 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.215 -179.373 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 71.3 Cg_exo -49.83 131.41 29.37 Favored 'Trans proline' 0 N--CA 1.459 -0.535 0 C-N-CA 121.67 1.58 . . . . 0.0 111.157 176.459 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 132' ' ' LEU . . . . . 0.49 HD11 HG13 ' A' ' 122' ' ' ILE . 58.8 tp -140.33 126.99 20.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.188 -168.02 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 89.6 mt -99.29 116.82 43.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.19 167.682 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 93.6 t -92.17 99.05 9.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.245 -177.615 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 135' ' ' CYS . . . . . . . . . . . . . 51.8 t -77.92 138.2 38.75 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.198 -178.514 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 33.3 m -124.23 154.98 31.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.193 178.692 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 46.4 p30 . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.26 178.595 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.84 0.352 . . . . 0.0 111.184 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 94.4 m-20 -70.49 -14.98 62.75 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.151 179.467 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 151' ' ' LYS . . . . . . . . . . . . . 75.4 mmtt -102.82 -34.03 9.14 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.167 176.07 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 152' ' ' PHE . . . . . . . . . . . . . 16.0 m-30 -74.49 -28.18 60.89 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.141 179.694 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 153' ' ' VAL . . . . . . . . . . . . . 9.9 p -58.45 -24.74 25.85 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.189 178.209 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -81.29 -27.82 34.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.182 178.048 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 155' ' ' LEU . . . . . . . . . . . . . 96.3 mt -68.7 -38.99 80.69 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.144 -176.45 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . 95.03 -45.26 2.11 Favored Glycine 0 CA--C 1.524 0.611 0 N-CA-C 111.147 -0.781 . . . . 0.0 111.147 171.165 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 157' ' ' TYR . . . . . . . . . . . . . 51.8 p90 -108.61 -3.87 17.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.816 0.341 . . . . 0.0 111.178 -177.448 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 158' ' ' VAL . . . . . 0.414 HG23 ' HB3' ' A' ' 132' ' ' LEU . 60.5 t -108.77 125.46 65.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.183 173.771 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 159' ' ' TRP . . . . . . . . . . . . . 89.7 m95 -137.79 142.42 40.86 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.246 -178.867 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 160' ' ' SER . . . . . . . . . . . . . 13.3 t -97.7 149.64 22.06 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.152 -171.495 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 161' ' ' CYS . . . . . 0.481 ' SG ' ' HA ' ' A' ' 168' ' ' LEU . 71.6 m -87.75 162.82 16.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.175 172.149 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -91.49 154.8 44.36 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.187 173.026 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 163' ' ' PRO . . . . . . . . . . . . . 97.2 Cg_endo -74.98 67.31 5.94 Favored 'Trans proline' 0 N--CA 1.459 -0.551 0 C-N-CA 121.716 1.611 . . . . 0.0 111.214 178.701 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 164' ' ' THR . . . . . . . . . . . . . 14.1 t -157.95 -178.19 7.12 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.183 -177.309 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 165' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -70.12 -33.48 71.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.222 -173.085 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 166' ' ' THR . . . . . . . . . . . . . 70.3 p -101.84 21.15 15.06 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.214 -179.73 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 167' ' ' GLY . . . . . . . . . . . . . . . -62.6 -48.39 81.99 Favored Glycine 0 CA--C 1.524 0.61 0 N-CA-C 111.208 -0.757 . . . . 0.0 111.208 -178.142 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 168' ' ' LEU . . . . . 0.481 ' HA ' ' SG ' ' A' ' 161' ' ' CYS . 23.2 tp -65.03 -32.94 74.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.84 0.352 . . . . 0.0 111.226 179.815 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 97.3 mt -64.02 -41.4 92.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.265 175.578 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 170' ' ' ALA . . . . . . . . . . . . . . . -65.01 -39.43 93.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.197 176.712 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 171' ' ' GLY . . . . . . . . . . . . . . . -62.86 -45.68 95.19 Favored Glycine 0 CA--C 1.523 0.557 0 N-CA-C 111.167 -0.773 . . . . 0.0 111.167 177.856 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 57.7 tp -59.12 -56.56 20.61 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.81 0.338 . . . . 0.0 111.172 176.212 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 173' ' ' ARG . . . . . . . . . . . . . 38.1 ttm180 -53.88 -45.02 70.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.234 -179.331 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -59.3 -45.45 91.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.231 -177.307 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 68.9 p -73.26 -25.31 60.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.207 -176.145 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 176' ' ' GLN . . . . . . . . . . . . . 89.5 mm-40 -102.68 -6.26 22.89 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.181 -175.062 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 177' ' ' THR . . . . . . . . . . . . . 63.8 m -97.87 -48.76 5.06 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.173 174.577 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 178' ' ' GLU . . . . . . . . . . . . . 73.6 mm-40 -79.97 145.39 32.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.169 -179.561 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 179' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -64.89 129.95 41.64 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.262 -178.363 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 180' ' ' LEU . . . . . . . . . . . . . 85.7 mt . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.156 176.582 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.758 0.314 . . . . 0.0 111.224 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 85.5 mttt -74.24 157.25 36.2 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.214 175.57 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -164.82 173.8 11.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.193 -171.613 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.456 HD13 ' C ' ' A' ' 8' ' ' LEU . 3.1 tm? -95.89 121.05 37.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.23 172.707 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 85.1 t80 -84.47 125.34 32.29 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.223 -177.469 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . 0.44 ' HB ' HG12 ' A' ' 44' ' ' ILE . 91.5 t -117.85 135.75 57.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.205 174.77 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 93.5 m -95.02 118.36 31.71 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.19 176.574 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 71.7 m -131.81 59.86 1.69 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.211 165.565 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -74.35 170.16 53.67 Favored Glycine 0 CA--C 1.522 0.512 0 N-CA-C 111.205 -0.758 . . . . 0.0 111.205 -175.693 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -73.68 -33.98 64.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.819 0.343 . . . . 0.0 111.24 -172.304 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 99.0 m -73.41 -50.09 23.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.181 -171.206 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.41 ' HA ' ' HD3' ' A' ' 17' ' ' PRO . 95.5 t -78.82 130.45 70.37 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.211 -173.847 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . 0.41 ' HD3' ' HA ' ' A' ' 16' ' ' VAL . 53.0 Cg_exo -57.31 130.89 41.65 Favored 'Trans proline' 0 N--CA 1.457 -0.635 0 C-N-CA 121.68 1.587 . . . . 0.0 111.2 176.468 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 88.8 m-85 -133.98 69.85 74.74 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.226 168.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 36.2 Cg_endo -67.25 -61.5 0.08 OUTLIER 'Trans proline' 0 N--CA 1.458 -0.592 0 C-N-CA 121.736 1.624 . . . . 0.0 111.219 -177.358 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -117.67 4.64 12.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.202 178.878 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 95.9 mt -71.69 -23.8 61.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.21 -175.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 71.5 t -74.41 -40.33 49.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.22 175.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 85.0 p -68.38 -25.14 64.92 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.173 -179.332 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 98.7 m -71.83 -40.1 69.32 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.222 173.503 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 55.5 t -64.46 -37.38 79.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.235 174.495 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 97.4 mt -104.86 34.85 2.99 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.2 -176.651 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 55.4 p -75.88 159.47 30.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.208 173.398 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 97.9 m-20 -63.1 -40.03 96.43 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.172 178.765 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -73.39 -40.28 64.45 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.172 -176.071 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 59.8 t80 -61.85 -52.84 62.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.218 179.39 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 98.8 m -66.16 -36.28 82.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.202 -178.439 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 66.2 tt0 -56.22 -46.02 79.67 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.219 179.69 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 91.0 mt-10 -88.94 -22.38 23.11 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.181 -177.373 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 47.2 tp -53.78 -44.81 70.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.255 179.621 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 45.0 pt -74.21 -13.28 15.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.192 -179.776 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 67.6 mt-30 -94.93 -5.27 45.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.225 179.438 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 40.8 m-85 -105.06 10.83 33.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.217 172.935 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 86.86 27.23 29.56 Favored Glycine 0 CA--C 1.524 0.64 0 N-CA-C 111.114 -0.794 . . . . 0.0 111.114 174.68 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 81.8 m-85 -122.38 74.79 1.2 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.893 0.377 . . . . 0.0 111.206 176.167 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 33.1 m -83.48 -10.09 11.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.152 177.474 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 61.4 ttm-85 -112.19 120.74 42.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.168 172.481 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 63.4 tp -113.2 119.88 39.3 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.133 179.473 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.49 HG23 ' CD1' ' A' ' 96' ' ' PHE . 69.8 mt -114.32 114.88 47.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.228 -175.758 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.44 HG12 ' HB ' ' A' ' 10' ' ' VAL . 62.2 mt -114.64 113.51 43.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.24 -175.42 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 20.0 tm0? -81.62 117.46 22.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.217 178.311 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 70.1 m-85 -104.36 137.76 41.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.247 -178.629 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -83.43 -168.79 43.96 Favored Glycine 0 CA--C 1.523 0.586 0 N-CA-C 111.195 -0.762 . . . . 0.0 111.195 173.833 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 84.2 mtp180 -80.36 -19.83 45.52 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.776 0.322 . . . . 0.0 111.154 -177.605 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 92.8 m-20 -85.27 -13.93 48.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.206 -178.315 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 77.7 m-85 -124.39 104.06 8.55 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.198 -174.551 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 91.5 p -78.74 159.72 27.79 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.223 177.51 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 46.6 t -101.34 90.95 4.28 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.158 178.674 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 61.2 mm-40 -123.65 71.04 1.07 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.204 -177.444 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 82.3 m-85 -118.77 26.4 9.58 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.187 -174.319 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 25.1 pt-20 -73.76 -13.07 60.89 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.141 176.088 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 99.0 m-70 -89.53 -25.3 21.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.174 173.056 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 64.2 tp -60.83 -47.3 86.98 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.246 171.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 19.2 m -75.16 -25.0 17.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.143 179.354 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 66.0 tt0 -63.07 -40.07 96.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.301 178.435 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -73.08 -27.07 61.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.161 179.014 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 80.4 mmt-85 -95.58 -13.81 24.09 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.137 -171.78 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 89.03 22.22 39.32 Favored Glycine 0 CA--C 1.523 0.584 0 N-CA-C 111.166 -0.773 . . . . 0.0 111.166 177.836 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -95.76 -162.9 33.78 Favored Glycine 0 CA--C 1.523 0.589 0 N-CA-C 111.202 -0.759 . . . . 0.0 111.202 -179.569 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . 0.435 ' H ' ' HB ' ' A' ' 85' ' ' VAL . 10.3 mm-40 -129.97 159.95 35.12 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.772 0.32 . . . . 0.0 111.276 -177.119 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 7.0 tmm_? -119.38 120.66 37.53 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.251 175.697 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 -126.24 155.74 41.39 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.26 -177.653 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 88.6 p -87.88 159.39 18.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.193 -179.66 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 65.5 mm-40 -140.03 90.01 2.35 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.195 174.185 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -77.24 80.63 3.75 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.182 -178.618 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 50.0 mm -65.68 123.34 84.42 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.223 -176.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 80.0 Cg_exo -48.8 120.87 5.8 Favored 'Trans proline' 0 N--CA 1.458 -0.612 0 C-N-CA 121.77 1.647 . . . . 0.0 111.188 178.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 96.6 mt -76.8 -37.08 27.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.24 -176.169 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 99.7 m-20 -66.25 -23.0 66.34 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.175 -173.314 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 99.7 mm-40 -82.27 -50.17 9.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.204 -173.451 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 7.9 m-30 -99.98 -40.02 7.86 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.199 -177.494 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 101.52 -0.13 53.18 Favored Glycine 0 CA--C 1.523 0.558 0 N-CA-C 111.154 -0.778 . . . . 0.0 111.154 -174.235 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 29.0 p -88.26 -179.55 6.16 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.736 0.303 . . . . 0.0 111.212 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -80.15 163.41 47.09 Favored Glycine 0 CA--C 1.525 0.66 0 N-CA-C 111.182 -0.767 . . . . 0.0 111.182 -177.707 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 51.2 p-10 -108.49 30.34 6.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.853 0.358 . . . . 0.0 111.236 179.062 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 60.1 p -103.46 19.3 19.99 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.23 -173.801 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -65.35 145.83 55.68 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.194 -179.044 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -132.38 119.76 21.12 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.184 -172.081 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 62.2 tt0 -87.88 137.95 31.88 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.125 -177.653 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 84.8 m-85 -128.89 118.83 23.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.252 178.319 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . 0.435 ' HB ' ' H ' ' A' ' 64' ' ' GLN . 84.7 t -88.44 117.7 32.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.205 -177.943 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 96.4 mt -124.88 168.67 12.94 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.286 179.095 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 82.1 mmm 61.42 30.45 18.93 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.125 175.377 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 96.3 m-20 64.95 33.25 10.0 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.228 176.862 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 97.7 -3.98 61.26 Favored Glycine 0 CA--C 1.523 0.539 0 N-CA-C 111.269 -0.732 . . . . 0.0 111.269 175.339 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -79.99 -23.92 41.23 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.811 0.338 . . . . 0.0 111.203 -178.404 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 60.0 tp -121.52 126.67 49.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.202 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -109.67 102.43 11.25 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.222 175.829 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 59.9 t -101.3 108.65 23.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.162 -178.477 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 73.8 mt -115.33 123.77 71.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.169 -178.174 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -86.9 132.13 10.98 Favored Glycine 0 CA--C 1.523 0.564 0 N-CA-C 111.202 -0.759 . . . . 0.0 111.202 171.108 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 96' ' ' PHE . . . . . 0.49 ' CD1' HG23 ' A' ' 43' ' ' ILE . 59.9 m-85 -114.6 151.66 33.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.79 0.329 . . . . 0.0 111.228 -174.175 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 53.1 t0 -102.04 69.72 1.18 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.178 -179.605 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 88.1 m-85 -103.66 157.45 17.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.201 172.597 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 52.4 p -78.53 178.3 7.88 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.194 172.001 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 74.3 p -74.55 -10.1 59.22 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.154 178.205 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -105.49 -7.01 18.94 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.181 179.745 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 66.6 mtt -103.11 6.55 38.59 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.167 -179.473 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 95.4 mt-30 -60.12 -32.95 71.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.18 178.003 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 73.3 m -57.79 -32.96 68.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.256 -178.169 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 94.1 mt -54.42 -52.87 35.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.249 178.445 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 96.9 mt -67.66 -43.9 86.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.206 179.771 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 88.4 mtm-85 -57.66 -37.16 72.91 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.11 -173.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 95.1 m-20 -62.12 -27.49 68.97 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.159 -178.889 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 109' ' ' TYR . . . . . . . . . . . . . 56.1 m-85 -95.28 -26.93 15.73 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.229 -178.146 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 65.3 p -67.88 162.54 23.94 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.256 -178.726 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 18.6 t70 -111.79 -9.94 14.06 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.232 178.892 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 63.0 tp -153.35 140.04 18.93 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.216 -179.79 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 91.4 t -112.33 121.65 65.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.224 -177.06 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 114' ' ' ILE . . . . . 0.409 HG12 ' HB ' ' A' ' 133' ' ' ILE . 62.1 mt -120.19 111.19 31.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.16 171.45 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 70.6 m -123.33 166.91 14.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.201 178.087 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 89.5 m-70 -110.49 84.58 1.95 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.127 178.571 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . 55.34 53.4 9.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.272 -173.456 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -83.84 -176.97 51.45 Favored Glycine 0 CA--C 1.523 0.541 0 N-CA-C 111.218 -0.753 . . . . 0.0 111.218 -179.763 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 38.4 p -125.05 -69.93 0.77 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.817 0.341 . . . . 0.0 111.139 -179.058 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -62.63 -30.69 77.48 Favored Glycine 0 CA--C 1.524 0.644 0 N-CA-C 111.185 -0.766 . . . . 0.0 111.185 -177.008 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 86.6 p -68.25 -25.86 65.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.857 0.36 . . . . 0.0 111.191 -179.068 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 122' ' ' ILE . . . . . 0.431 HG12 HD22 ' A' ' 132' ' ' LEU . 96.7 mt -62.06 -45.53 98.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.17 174.23 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 59.8 tp -66.06 -49.09 68.84 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.21 -177.484 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 72.5 m-20 -65.85 -35.87 81.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.272 -172.114 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 21.7 t -64.02 -51.98 61.64 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.167 178.132 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 93.9 mt -65.95 -26.89 67.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.179 173.899 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 69.1 ttp85 -69.07 -39.81 78.86 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.234 177.144 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 92.1 mt -87.75 -1.96 58.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.203 -176.474 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 89.9 m-20 67.16 35.05 4.68 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.235 -178.217 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 130' ' ' LYS . . . . . 0.434 ' HA ' ' HD3' ' A' ' 131' ' ' PRO . 74.6 mmtt -114.73 148.69 40.94 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.221 179.482 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 131' ' ' PRO . . . . . 0.434 ' HD3' ' HA ' ' A' ' 130' ' ' LYS . 57.5 Cg_exo -55.04 135.2 67.72 Favored 'Trans proline' 0 N--CA 1.456 -0.688 0 C-N-CA 121.703 1.602 . . . . 0.0 111.204 179.932 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 132' ' ' LEU . . . . . 0.431 HD22 HG12 ' A' ' 122' ' ' ILE . 61.1 tp -108.08 119.65 40.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.173 178.371 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 133' ' ' ILE . . . . . 0.409 ' HB ' HG12 ' A' ' 114' ' ' ILE . 87.5 mt -105.53 122.22 58.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.218 174.541 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 97.6 t -123.19 122.67 65.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.219 -178.642 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 135' ' ' CYS . . . . . . . . . . . . . 46.7 t -99.46 126.78 45.45 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.179 176.606 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 89.0 t -69.31 110.05 2.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.19 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 44.2 p30 . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.201 -177.848 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.774 0.321 . . . . 0.0 111.159 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 92.6 m-20 -65.04 -32.21 73.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.19 179.754 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 151' ' ' LYS . . . . . 0.407 ' HD3' ' HA ' ' A' ' 151' ' ' LYS . 67.5 mmtt -79.2 -31.09 43.68 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.219 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 152' ' ' PHE . . . . . . . . . . . . . 15.3 m-30 -61.43 -40.49 94.63 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.159 170.565 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 153' ' ' VAL . . . . . . . . . . . . . 67.6 t -68.4 -45.01 83.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.248 176.26 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 88.1 tt0 -58.47 -42.62 87.87 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.206 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 155' ' ' LEU . . . . . . . . . . . . . 50.6 tp -70.75 -53.41 15.64 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.219 178.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . 90.03 6.92 68.72 Favored Glycine 0 CA--C 1.524 0.604 0 N-CA-C 111.18 -0.768 . . . . 0.0 111.18 172.539 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 157' ' ' TYR . . . . . . . . . . . . . 92.9 m-85 -113.84 0.75 14.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.801 0.334 . . . . 0.0 111.194 178.094 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 158' ' ' VAL . . . . . . . . . . . . . 40.7 t -129.61 134.32 63.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.218 -178.464 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 159' ' ' TRP . . . . . . . . . . . . . 85.8 m95 -98.59 140.42 32.84 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.236 -178.164 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 160' ' ' SER . . . . . . . . . . . . . 42.6 t -105.89 115.92 31.06 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.193 179.581 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 161' ' ' CYS . . . . . . . . . . . . . 74.8 m -114.76 152.72 31.6 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.207 -178.132 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -83.93 156.28 64.16 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.23 173.43 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 163' ' ' PRO . . . . . . . . . . . . . 90.6 Cg_endo -77.16 64.18 7.81 Favored 'Trans proline' 0 N--CA 1.458 -0.576 0 C-N-CA 121.697 1.598 . . . . 0.0 111.233 -179.636 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 164' ' ' THR . . . . . . . . . . . . . 15.9 p -135.52 177.86 7.49 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.197 175.695 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 165' ' ' GLU . . . . . . . . . . . . . 25.2 pt-20 -76.71 -4.74 44.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.187 176.402 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 166' ' ' THR . . . . . . . . . . . . . 82.4 p -112.9 -26.69 8.41 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.162 -175.474 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 167' ' ' GLY . . . . . . . . . . . . . . . -63.9 -40.26 98.15 Favored Glycine 0 CA--C 1.523 0.568 0 N-CA-C 111.18 -0.768 . . . . 0.0 111.18 175.917 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 168' ' ' LEU . . . . . . . . . . . . . 96.0 mt -65.76 -35.53 80.97 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.793 0.33 . . . . 0.0 111.217 177.844 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 97.1 mt -67.78 -42.14 85.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.196 177.678 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 170' ' ' ALA . . . . . . . . . . . . . . . -60.84 -45.73 93.36 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.23 179.207 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 171' ' ' GLY . . . . . . . . . . . . . . . -67.36 -41.76 90.76 Favored Glycine 0 CA--C 1.524 0.606 0 N-CA-C 111.157 -0.777 . . . . 0.0 111.157 177.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 63.0 tp -55.34 -46.3 76.4 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.805 0.336 . . . . 0.0 111.222 177.583 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 173' ' ' ARG . . . . . . . . . . . . . 61.7 ttt85 -68.34 -39.83 81.77 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.202 177.123 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -60.56 -36.94 79.71 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.245 -175.224 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 54.7 p -63.05 -24.42 67.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.177 179.32 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 176' ' ' GLN . . . . . . . . . . . . . 88.9 mm-40 -100.56 2.01 41.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.192 -179.382 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 177' ' ' THR . . . . . . . . . . . . . 96.8 m -95.95 -51.81 4.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.166 -177.69 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 178' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -105.59 111.53 24.26 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.188 -177.643 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 179' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -65.54 129.87 41.28 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.212 174.396 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 180' ' ' LEU . . . . . . . . . . . . . 89.7 mt . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.214 -177.564 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 93.9 mt-10 . . . . . 0 C--O 1.232 0.15 0 CA-C-O 120.781 0.324 . . . . 0.0 111.233 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -80.85 150.02 29.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.14 -178.402 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . 0.489 ' HB1' ' HA ' ' A' ' 110' ' ' SER . . . -122.84 144.29 49.3 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.237 -176.408 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 92.6 mt -111.37 146.45 37.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.222 -178.634 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . 0.445 ' CD1' ' C ' ' A' ' 9' ' ' PHE . 1.0 OUTLIER -120.01 93.0 3.91 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.19 177.798 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 98.4 t -81.43 121.88 35.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.235 -176.44 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 75.5 m -125.06 116.07 21.52 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.195 169.438 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . 0.4 ' HA ' ' HB2' ' A' ' 116' ' ' HIS . 79.3 m -80.28 151.01 29.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.216 -176.601 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -94.96 -164.92 35.39 Favored Glycine 0 CA--C 1.523 0.587 0 N-CA-C 111.209 -0.757 . . . . 0.0 111.209 -179.388 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -101.47 -30.19 11.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.757 0.313 . . . . 0.0 111.209 -174.378 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 95.7 m -60.16 -50.77 72.37 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.193 -173.755 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 96.6 t -92.82 134.82 26.96 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.16 178.813 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 89.7 Cg_exo -46.81 133.31 17.46 Favored 'Trans proline' 0 N--CA 1.458 -0.581 0 C-N-CA 121.7 1.6 . . . . 0.0 111.183 179.378 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . 0.554 ' HB3' ' HD3' ' A' ' 19' ' ' PRO . 89.7 t80 -58.14 -44.72 99.52 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.132 -172.289 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . 0.554 ' HD3' ' HB3' ' A' ' 18' ' ' PHE . 76.7 Cg_exo -55.22 -37.31 94.42 Favored 'Trans proline' 0 N--CA 1.458 -0.612 0 C-N-CA 121.753 1.635 . . . . 0.0 111.226 -179.864 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -73.92 -40.55 63.04 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.202 -175.185 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 89.4 mt -64.95 -35.72 82.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.231 178.636 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 70.0 t -72.54 -40.98 63.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.206 177.092 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 48.4 t -59.86 -41.06 90.64 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.169 -178.419 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 86.8 m -62.19 -30.74 71.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.175 178.613 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 73.7 t -82.89 -30.98 8.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.17 -179.233 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 96.7 mt -87.76 2.89 50.06 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.2 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 9.7 t -56.04 140.02 44.89 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.184 175.36 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 97.0 m-20 -64.8 -39.22 93.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.18 179.412 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -72.5 -37.93 68.26 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.151 179.068 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 69.9 t80 -56.12 -48.7 75.69 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.231 173.47 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 87.4 m -67.49 -38.88 85.03 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.197 179.617 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 66.6 tt0 -55.6 -41.26 73.17 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.197 178.51 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 71.0 mm-40 -65.03 -43.11 93.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.174 179.102 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.401 HD22 HD13 ' A' ' 172' ' ' LEU . 81.7 mt -59.36 -35.72 74.4 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.23 -178.853 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 91.2 mt -59.57 -40.05 81.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.167 179.255 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 90.2 mt-30 -75.37 -34.43 61.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.215 179.236 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 13.7 m-30 -65.07 -41.16 95.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.154 -177.181 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 121.58 21.16 3.05 Favored Glycine 0 CA--C 1.524 0.639 0 N-CA-C 111.221 -0.752 . . . . 0.0 111.221 -177.597 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 92.3 m-85 -99.81 133.33 44.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.805 0.336 . . . . 0.0 111.204 176.641 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 87.5 t -121.14 -35.53 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.185 -173.65 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 81.9 mtt85 -110.22 109.95 20.61 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.213 -178.342 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 65.3 tp -110.63 101.49 10.14 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.156 -177.307 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.487 HG12 ' HB ' ' A' ' 94' ' ' ILE . 96.0 mt -101.81 134.49 42.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.14 -174.797 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 78.4 mt -121.19 130.57 74.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.223 177.851 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 66.2 tt0 -75.18 127.72 33.85 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.216 174.032 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . 0.486 ' CB ' ' HA3' ' A' ' 47' ' ' GLY . 72.6 m-85 -119.76 158.33 26.75 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.234 177.715 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . 0.486 ' HA3' ' CB ' ' A' ' 46' ' ' PHE . . . 123.12 18.4 3.13 Favored Glycine 0 CA--C 1.524 0.627 0 N-CA-C 111.247 -0.741 . . . . 0.0 111.247 5.707 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 96.9 mtt180 65.03 56.86 1.01 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.823 0.344 . . . . 0.0 111.192 173.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 76.4 m-20 52.91 44.95 29.73 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.253 174.734 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 28.0 t80 -66.83 -18.41 65.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.173 -179.209 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 31.7 m -49.7 -35.41 21.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.192 175.503 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 88.8 p -69.77 -18.29 63.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.178 -177.111 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 73.6 mm-40 -80.94 -19.9 43.19 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.252 -178.799 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 72.2 m-85 -73.73 -15.62 61.21 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.183 177.54 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 75.2 mm-40 -63.26 -18.42 63.54 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.21 173.482 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 98.4 m-70 -108.92 -34.94 6.49 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.149 178.075 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 60.7 tp -73.05 -57.72 3.83 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.211 -178.761 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 71.8 t -65.08 -38.81 83.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.141 -178.651 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 68.7 tp60 -65.1 -40.7 94.95 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.196 179.332 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 89.1 tt0 -66.67 -40.16 88.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.214 176.476 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -74.49 -22.24 59.17 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.267 -179.077 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 85.68 31.88 20.14 Favored Glycine 0 CA--C 1.524 0.616 0 N-CA-C 111.233 -0.747 . . . . 0.0 111.233 174.571 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -95.01 -166.28 35.7 Favored Glycine 0 CA--C 1.523 0.556 0 N-CA-C 111.163 -0.775 . . . . 0.0 111.163 -179.758 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 95.8 mm-40 -122.53 154.61 37.65 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.805 0.336 . . . . 0.0 111.222 176.736 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 33.5 ptt-85 -155.54 133.97 11.72 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.215 -173.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -150.93 138.81 19.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.188 -176.894 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 87.2 p -72.76 164.02 27.2 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.215 -172.277 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 64.3 tt0 -130.63 129.52 42.79 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.121 179.142 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -95.16 75.6 3.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.238 -176.131 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.451 ' HA ' ' HD3' ' A' ' 71' ' ' PRO . 95.1 mt -75.01 129.58 82.74 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.182 174.719 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . 0.451 ' HD3' ' HA ' ' A' ' 70' ' ' ILE . 87.9 Cg_exo -55.03 129.18 33.94 Favored 'Trans proline' 0 N--CA 1.458 -0.591 0 C-N-CA 121.754 1.636 . . . . 0.0 111.128 -174.873 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 96.4 mt -71.21 -38.06 68.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.238 174.279 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 99.3 m-20 -64.42 -37.38 87.31 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.229 -178.608 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 64.6 tt0 -85.68 -43.78 13.13 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.141 -174.697 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 97.5 m-85 -114.98 -44.33 3.04 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.222 -174.852 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 96.19 16.4 38.08 Favored Glycine 0 CA--C 1.522 0.504 0 N-CA-C 111.233 -0.747 . . . . 0.0 111.233 -177.701 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' CYS . . . . . 0.425 ' SG ' ' HB3' ' A' ' 81' ' ' ALA . 45.3 t -65.35 139.96 58.62 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.751 0.31 . . . . 0.0 111.221 -179.727 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -82.88 -164.73 36.1 Favored Glycine 0 CA--C 1.524 0.601 0 N-CA-C 111.156 -0.778 . . . . 0.0 111.156 -179.318 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 58.5 p-10 -95.68 11.94 31.57 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.792 0.329 . . . . 0.0 111.235 -174.352 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 81.2 p -88.48 -15.09 36.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.191 178.596 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . 0.425 ' HB3' ' SG ' ' A' ' 77' ' ' CYS . . . -55.54 111.62 0.94 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.199 178.1 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 42.8 ttt180 -148.53 140.25 23.68 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.157 178.681 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 78.5 mt-30 -96.93 144.35 26.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.174 177.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' TYR . . . . . 0.426 ' N ' ' O ' ' A' ' 93' ' ' VAL . 60.5 m-85 -129.72 92.07 3.26 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.14 -173.674 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 91.8 t -74.36 113.08 12.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.191 -175.007 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 91.0 mt -128.69 172.82 10.87 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.174 -172.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 85.2 mmm 70.01 33.13 2.84 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.218 177.479 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 96.5 m-20 64.89 35.06 8.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.18 -178.883 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 75.08 40.04 35.84 Favored Glycine 0 CA--C 1.524 0.61 0 N-CA-C 111.183 -0.767 . . . . 0.0 111.183 179.125 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -119.03 -20.0 8.25 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.826 0.346 . . . . 0.0 111.212 -178.693 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 50.0 tp -141.03 129.99 23.17 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.173 174.667 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -100.53 102.89 14.18 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.245 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . 0.426 ' O ' ' N ' ' A' ' 84' ' ' TYR . 89.2 t -89.64 124.99 42.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.225 177.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . 0.487 ' HB ' HG12 ' A' ' 43' ' ' ILE . 64.8 mt -122.47 134.92 64.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.203 -172.381 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -114.98 134.13 11.44 Favored Glycine 0 CA--C 1.524 0.625 0 N-CA-C 111.213 -0.755 . . . . 0.0 111.213 -173.308 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 70.6 m-85 -130.03 143.37 50.76 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.837 0.351 . . . . 0.0 111.197 166.904 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 60.0 t0 -94.96 82.79 3.86 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.216 169.464 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 5.6 m-30 -116.01 140.02 49.68 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.209 -166.361 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 59.6 p -76.31 -179.02 4.84 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.17 169.736 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 77.1 p -71.01 -14.3 62.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.269 178.136 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -92.86 -8.85 42.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.195 177.758 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 64.2 mtt -105.01 1.59 28.79 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.176 179.527 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 95.0 mt-30 -62.32 -31.44 72.06 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.161 179.56 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 104' ' ' SER . . . . . 0.455 ' HA ' ' HG2' ' A' ' 107' ' ' ARG . 39.2 m -64.94 -24.84 67.64 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.209 -178.169 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 96.4 mt -63.08 -43.75 99.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.176 176.674 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 86.3 mt -74.54 -42.05 48.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.207 -175.073 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 107' ' ' ARG . . . . . 0.455 ' HG2' ' HA ' ' A' ' 104' ' ' SER . 24.9 ptt180 -70.33 -10.08 57.99 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.243 -175.67 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 97.0 m-20 -73.15 -17.61 61.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.137 169.453 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 109' ' ' TYR . . . . . . . . . . . . . 72.2 m-85 -112.3 -26.68 8.64 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.259 177.534 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 110' ' ' SER . . . . . 0.489 ' HA ' ' HB1' ' A' ' 7' ' ' ALA . 75.2 m -90.54 157.5 17.5 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.201 -173.428 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 61.0 m-20 -105.01 -56.06 2.23 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.205 177.898 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 8.8 mp -105.82 109.44 21.39 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.188 -174.544 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . 0.453 HG22 ' HB2' ' A' ' 124' ' ' ASP . 9.9 p -71.47 141.74 16.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.144 173.856 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 89.8 mt -120.19 109.69 26.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.198 176.683 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 37.6 t -101.15 109.58 21.48 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.202 -178.11 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 116' ' ' HIS . . . . . 0.443 ' HA ' ' HB3' ' A' ' 135' ' ' CYS . 83.7 m-70 -82.39 143.66 31.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.171 -178.915 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . 55.05 54.5 8.84 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.179 171.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 121.53 -171.03 14.91 Favored Glycine 0 CA--C 1.523 0.564 0 N-CA-C 111.244 -0.742 . . . . 0.0 111.244 174.12 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 41.3 p -107.14 36.51 2.66 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.791 0.329 . . . . 0.0 111.14 -172.382 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -58.75 -46.95 92.7 Favored Glycine 0 CA--C 1.523 0.59 0 N-CA-C 111.213 -0.755 . . . . 0.0 111.213 -174.859 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 9.8 m -105.01 24.95 11.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.817 0.342 . . . . 0.0 111.218 -175.225 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 122' ' ' ILE . . . . . 0.424 HD12 HG22 ' A' ' 158' ' ' VAL . 16.1 tt -65.19 -20.01 26.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.155 -179.281 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 92.0 mt -96.64 -8.97 30.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.221 -172.612 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 124' ' ' ASP . . . . . 0.453 ' HB2' HG22 ' A' ' 113' ' ' VAL . 89.1 m-20 -68.34 -46.58 69.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.199 -171.773 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 63.1 m -98.74 3.11 47.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.097 -179.541 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 66.3 tp -62.67 -52.67 62.41 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.208 176.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -66.75 -24.66 66.24 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.213 178.921 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 96.5 mt -77.06 -11.67 59.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.238 179.443 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 77.5 m-20 66.6 34.91 5.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.237 -179.82 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 40.9 mmtm -113.06 155.76 43.82 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.164 -178.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_exo -54.94 138.06 77.19 Favored 'Trans proline' 0 N--CA 1.458 -0.613 0 C-N-CA 121.71 1.606 . . . . 0.0 111.233 178.578 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 132' ' ' LEU . . . . . 0.417 ' HB2' HG23 ' A' ' 158' ' ' VAL . 78.9 mt -102.82 130.69 49.9 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.163 -177.822 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 42.4 mm -108.94 118.53 56.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.219 176.392 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 76.9 t -124.9 124.95 68.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.194 179.82 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 135' ' ' CYS . . . . . 0.443 ' HB3' ' HA ' ' A' ' 116' ' ' HIS . 47.4 t -104.05 130.26 51.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.233 175.651 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 32.8 m -85.03 151.32 3.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.21 177.251 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 48.1 p30 . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.24 -179.2 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.778 0.323 . . . . 0.0 111.177 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 92.5 m-20 -62.38 -34.2 76.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.258 178.677 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 151' ' ' LYS . . . . . 0.445 ' HD3' ' HA ' ' A' ' 151' ' ' LYS . 61.2 mmtt -80.1 -30.08 39.11 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.194 -178.895 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 152' ' ' PHE . . . . . . . . . . . . . 14.5 m-30 -59.93 -38.65 82.97 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.228 171.253 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 153' ' ' VAL . . . . . . . . . . . . . 79.1 t -68.46 -40.05 81.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.222 176.762 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -76.37 -19.63 57.98 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.145 176.642 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 155' ' ' LEU . . . . . . . . . . . . . 62.8 tp -80.22 -54.47 5.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.19 -177.107 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . 85.18 8.0 82.38 Favored Glycine 0 CA--C 1.523 0.544 0 N-CA-C 111.154 -0.778 . . . . 0.0 111.154 174.454 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 157' ' ' TYR . . . . . . . . . . . . . 98.9 m-85 -116.22 -25.0 7.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.794 0.33 . . . . 0.0 111.229 177.615 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 158' ' ' VAL . . . . . 0.424 HG22 HD12 ' A' ' 122' ' ' ILE . 57.6 t -119.95 140.03 45.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.217 -176.356 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 159' ' ' TRP . . . . . . . . . . . . . 16.9 m-90 -114.93 140.98 48.56 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.232 175.468 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 160' ' ' SER . . . . . . . . . . . . . 35.2 t -87.9 138.14 31.72 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.153 -172.444 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 161' ' ' CYS . . . . . 0.426 ' SG ' ' HA3' ' A' ' 171' ' ' GLY . 73.4 m -122.07 151.7 40.61 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.214 169.777 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -88.64 155.68 50.64 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.218 177.17 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 163' ' ' PRO . . . . . . . . . . . . . 95.2 Cg_endo -77.0 65.04 7.81 Favored 'Trans proline' 0 N--CA 1.458 -0.573 0 C-N-CA 121.667 1.578 . . . . 0.0 111.169 -179.743 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 164' ' ' THR . . . . . . . . . . . . . 13.0 t -159.93 -179.13 7.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.203 176.647 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 165' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -62.92 -45.97 90.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.195 -173.17 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 166' ' ' THR . . . . . . . . . . . . . 71.6 p -89.8 -10.11 46.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.199 -174.165 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 167' ' ' GLY . . . . . . . . . . . . . . . -66.67 -43.34 92.21 Favored Glycine 0 CA--C 1.524 0.598 0 N-CA-C 111.193 -0.763 . . . . 0.0 111.193 -178.549 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 168' ' ' LEU . . . . . . . . . . . . . 42.9 tp -66.05 -50.48 64.01 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.858 0.361 . . . . 0.0 111.128 179.819 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 169' ' ' ILE . . . . . 0.404 HD13 ' HA ' ' A' ' 169' ' ' ILE . 8.6 tp -67.37 -23.69 30.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.212 -175.854 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 170' ' ' ALA . . . . . . . . . . . . . . . -69.74 -43.03 73.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.25 174.176 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 171' ' ' GLY . . . . . 0.426 ' HA3' ' SG ' ' A' ' 161' ' ' CYS . . . -71.64 -30.61 66.14 Favored Glycine 0 CA--C 1.522 0.513 0 N-CA-C 111.241 -0.743 . . . . 0.0 111.241 177.148 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 172' ' ' LEU . . . . . 0.401 HD13 HD22 ' A' ' 34' ' ' LEU . 81.6 mt -69.53 -34.52 74.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.753 0.311 . . . . 0.0 111.17 174.571 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 173' ' ' ARG . . . . . . . . . . . . . 37.1 ttm180 -66.71 -39.99 88.26 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.25 168.444 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -65.02 -33.57 76.37 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.234 -176.687 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 47.4 p -64.89 -18.28 65.05 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.163 178.195 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 176' ' ' GLN . . . . . . . . . . . . . 93.5 mm-40 -106.63 -26.96 11.12 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.211 -176.36 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 177' ' ' THR . . . . . . . . . . . . . 79.3 p -115.04 -42.87 3.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.189 -171.254 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 178' ' ' GLU . . . . . . . . . . . . . 18.5 tp10 -84.95 107.86 17.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.259 -172.394 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 179' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -80.21 119.35 22.85 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.25 175.036 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 180' ' ' LEU . . . . . . . . . . . . . 74.0 mt . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.225 178.396 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.536 0 N-CA-C 111.233 -0.747 . . . . 0.0 111.233 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 96.7 mt -77.11 -49.99 21.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 120.775 0.321 . . . . 0.0 111.188 178.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 96.7 mt -76.95 -48.97 24.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.192 -176.8 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 -116.14 145.05 43.37 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.252 -177.873 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 60.2 mm-40 -86.49 139.99 30.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.229 178.345 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -83.36 151.99 25.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.22 179.162 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -154.72 144.32 21.45 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.186 -176.579 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 63.2 tp -111.2 122.56 48.19 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.228 176.118 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 70.6 t80 -102.45 129.61 48.99 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.234 -174.182 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 97.2 t -115.32 128.88 72.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.274 177.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 9.1 t -136.66 147.38 46.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.193 174.215 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . 0.438 ' HA ' ' HB2' ' A' ' 116' ' ' HIS . 75.7 m -121.99 151.98 40.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.185 -176.264 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -91.77 -166.89 40.13 Favored Glycine 0 CA--C 1.523 0.57 0 N-CA-C 111.145 -0.782 . . . . 0.0 111.145 174.793 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -98.46 5.89 47.67 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.806 0.336 . . . . 0.0 111.267 178.595 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 90.3 m -60.22 -45.96 91.4 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.206 -176.148 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 27.7 m -132.73 162.17 59.0 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.26 178.756 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_exo -55.09 137.59 76.89 Favored 'Trans proline' 0 N--CA 1.458 -0.575 0 C-N-CA 121.699 1.6 . . . . 0.0 111.163 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . 0.537 ' N ' ' CD ' ' A' ' 19' ' ' PRO . 69.6 t80 -66.53 -42.99 50.09 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.212 -178.6 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . 0.537 ' CD ' ' N ' ' A' ' 18' ' ' PHE . 79.8 Cg_exo -51.61 -35.7 57.83 Favored 'Trans proline' 0 N--CA 1.458 -0.571 0 C-N-CA 121.644 1.563 . . . . 0.0 111.173 -178.918 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -73.18 -24.02 60.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.127 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 87.0 mt -87.18 -9.06 56.16 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.236 -179.091 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 75.4 t -73.07 -40.9 59.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.19 178.06 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 84.1 p -71.14 -19.73 62.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.217 -179.867 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 87.0 m -78.51 -16.65 57.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.248 -179.628 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 26.8 m -120.76 3.96 6.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.243 -178.66 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 91.1 mt -126.26 31.71 5.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.188 171.676 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 51.5 p -79.64 164.98 23.35 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.23 178.196 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 89.0 m-20 -59.55 -46.28 89.34 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.244 -178.508 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -73.91 -40.86 62.84 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.181 -178.56 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 57.4 t80 -55.08 -46.15 75.43 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.18 -177.048 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 89.5 m -75.9 -42.43 49.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.133 -178.336 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 65.2 tt0 -65.99 -33.67 76.35 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.242 -173.778 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 73.4 mm-40 -80.03 -39.72 29.27 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.229 -174.706 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.468 HD22 HD13 ' A' ' 172' ' ' LEU . 40.1 mt -65.7 -36.32 83.3 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.204 -172.901 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 49.4 pt -69.05 -11.63 15.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.206 179.257 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 61.0 mt-30 -101.33 -12.42 18.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.244 174.217 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 19.2 m-30 -90.26 -27.59 19.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.219 178.463 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 113.55 22.82 5.31 Favored Glycine 0 CA--C 1.523 0.531 0 N-CA-C 111.199 -0.761 . . . . 0.0 111.199 -177.568 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 88.4 m-85 -118.3 75.09 0.99 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.783 0.325 . . . . 0.0 111.183 177.178 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 31.1 m -94.09 -6.43 10.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.199 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 92.0 mtt-85 -109.48 93.52 4.55 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.2 175.653 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.418 ' O ' ' HA ' ' A' ' 93' ' ' VAL . 60.1 tp -104.08 116.24 31.87 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.252 -175.63 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 5.3 mp -114.18 119.54 61.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.198 -179.276 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 65.4 mt -115.54 124.79 72.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.162 -175.469 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 3.5 pp0? -102.42 144.82 30.4 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.232 -169.209 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 31.9 p90 -151.79 160.09 43.69 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.238 172.431 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -102.56 -27.92 6.56 Favored Glycine 0 CA--C 1.522 0.499 0 N-CA-C 111.27 -0.732 . . . . 0.0 111.27 -178.544 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 96.6 mtt-85 -111.8 146.68 37.2 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.778 0.323 . . . . 0.0 111.163 175.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 57.9 t-20 -59.36 109.33 0.85 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.195 -174.298 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 74.0 m-85 -124.81 27.65 6.73 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.161 172.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 92.9 p -66.38 -22.39 66.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.242 -172.137 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 93.3 p -71.99 -25.45 61.84 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.218 179.355 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 73.2 mm-40 -75.59 -26.85 58.24 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.202 178.665 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 98.3 m-85 -80.14 -45.46 18.12 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.23 176.154 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 88.2 tt0 -63.46 -36.69 84.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.219 178.184 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 83.9 t60 -56.58 -54.59 44.21 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.272 -178.86 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 84.2 mt -68.54 -25.4 64.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.217 -173.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 55.1 t -66.77 -42.45 89.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.245 171.136 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 88.2 mt-30 -70.35 -21.45 62.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.188 176.433 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 77.5 mm-40 -81.15 -2.42 48.41 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.202 176.634 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 90.6 mmt-85 -126.18 -3.11 6.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.228 175.138 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 74.62 27.03 66.03 Favored Glycine 0 CA--C 1.523 0.576 0 N-CA-C 111.226 -0.75 . . . . 0.0 111.226 174.897 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -86.32 -172.24 48.45 Favored Glycine 0 CA--C 1.523 0.555 0 N-CA-C 111.197 -0.761 . . . . 0.0 111.197 -178.452 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 97.1 mm-40 -115.03 171.89 7.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.757 0.313 . . . . 0.0 111.195 178.822 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -168.04 150.01 5.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.182 176.279 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 44.5 tt0 -151.0 130.46 12.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.181 -175.06 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 69.7 m -72.86 121.0 19.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.277 172.623 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 89.5 mt-30 -130.01 154.87 46.96 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.264 -168.348 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . 0.412 ' HA ' ' HA ' ' A' ' 79' ' ' ASP . 99.4 mttt -80.08 70.31 6.65 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.174 175.726 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.44 ' HA ' ' HD3' ' A' ' 71' ' ' PRO . 46.1 mm -62.07 123.37 77.62 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.232 -176.705 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . 0.44 ' HD3' ' HA ' ' A' ' 70' ' ' ILE . 58.4 Cg_exo -57.66 129.9 36.01 Favored 'Trans proline' 0 N--CA 1.458 -0.584 0 C-N-CA 121.704 1.603 . . . . 0.0 111.19 -177.941 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 93.9 mt -71.24 -36.49 62.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.226 171.379 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 99.0 m-20 -61.93 -37.08 83.36 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.173 178.865 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 50.9 tp60 -79.96 -65.3 1.02 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.246 -179.514 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 95.5 m-85 -97.73 -43.47 7.15 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.187 -173.613 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 112.97 -15.62 23.41 Favored Glycine 0 CA--C 1.522 0.482 0 N-CA-C 111.175 -0.77 . . . . 0.0 111.175 -176.351 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 71.6 m -71.66 159.91 33.58 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.845 0.355 . . . . 0.0 111.127 176.536 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -92.85 -166.96 38.9 Favored Glycine 0 CA--C 1.523 0.56 0 N-CA-C 111.239 -0.745 . . . . 0.0 111.239 -174.088 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . 0.412 ' HA ' ' HA ' ' A' ' 69' ' ' LYS . 99.1 m-20 -84.66 -7.09 59.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.805 0.336 . . . . 0.0 111.213 -174.381 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 69.7 p -96.9 0.82 49.67 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.204 178.665 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -65.23 144.7 57.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.231 176.731 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 43.4 ttm180 -114.14 132.49 56.05 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.129 -179.054 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 49.7 tt0 -91.38 129.9 37.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.147 173.747 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . 0.438 ' HB2' ' HB ' ' A' ' 93' ' ' VAL . 76.8 m-85 -111.59 140.15 46.44 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.223 178.312 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 92.4 t -105.47 111.72 35.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.252 -174.416 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 92.8 mt -125.83 158.43 35.04 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.157 179.621 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 76.8 mmm 60.56 33.0 20.53 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.161 178.346 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 96.5 m-20 65.08 34.09 9.02 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.144 177.728 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 94.97 -4.08 67.71 Favored Glycine 0 CA--C 1.523 0.567 0 N-CA-C 111.252 -0.739 . . . . 0.0 111.252 175.013 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -74.73 -26.69 59.97 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.781 0.324 . . . . 0.0 111.15 -179.794 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 65.5 tp -117.31 120.78 39.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.176 175.608 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -108.08 117.43 34.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.213 175.855 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . 0.438 ' HB ' ' HB2' ' A' ' 84' ' ' TYR . 64.0 t -110.71 125.38 68.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.214 -174.872 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 88.1 mt -105.92 121.47 58.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.158 177.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -114.71 135.02 12.05 Favored Glycine 0 CA--C 1.523 0.573 0 N-CA-C 111.188 -0.765 . . . . 0.0 111.188 175.634 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 72.4 t80 -156.82 141.19 16.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.826 0.346 . . . . 0.0 111.143 -173.448 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 63.1 t0 -83.3 105.05 13.94 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.199 173.879 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 69.1 m-85 -83.32 145.0 29.32 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.161 -173.749 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 47.8 t -115.02 -65.0 1.24 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.17 -171.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 41.9 p -116.75 -105.2 0.4 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.228 -169.062 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -97.17 0.95 49.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.189 -173.468 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 76.5 mtm -62.97 -29.91 71.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.163 179.462 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 7.8 pt20 -73.17 -22.39 60.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.188 178.879 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 71.5 m -84.84 -29.84 24.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.227 176.82 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 96.8 mt -64.0 -48.59 85.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.128 175.226 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 8.8 tp -66.82 -30.02 48.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.178 -179.819 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 81.3 mtm-85 -63.62 -49.12 74.54 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.201 175.684 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 97.9 m-20 -64.77 -35.92 82.63 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.248 177.187 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' TYR . . . . . . . . . . . . . 88.6 t80 -67.78 -40.23 83.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.213 178.31 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 77.4 p -70.84 166.41 21.13 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.208 -175.045 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 45.7 m-20 -101.31 -34.47 9.61 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.229 178.189 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 64.5 tp -137.3 129.87 29.96 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.199 -172.19 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 99.4 t -104.09 129.53 56.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.187 -176.766 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 114' ' ' ILE . . . . . 0.431 HD12 HD22 ' A' ' 172' ' ' LEU . 96.4 mt -106.39 123.71 61.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.245 173.881 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 48.1 t -108.47 113.77 27.07 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.232 175.847 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 116' ' ' HIS . . . . . 0.438 ' HB2' ' HA ' ' A' ' 12' ' ' CYS . 93.0 m-70 -83.73 89.88 7.22 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.193 172.494 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . 47.55 45.05 17.52 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.22 -177.673 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -88.2 175.05 44.31 Favored Glycine 0 CA--C 1.523 0.564 0 N-CA-C 111.252 -0.739 . . . . 0.0 111.252 -179.133 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 38.0 p -125.09 -70.38 0.75 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.832 0.349 . . . . 0.0 111.187 177.858 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -65.83 -27.81 73.08 Favored Glycine 0 CA--C 1.524 0.639 0 N-CA-C 111.153 -0.779 . . . . 0.0 111.153 177.722 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 84.5 p -65.18 -30.77 71.71 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.798 0.332 . . . . 0.0 111.174 178.644 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 122' ' ' ILE . . . . . . . . . . . . . 95.0 mt -69.13 -44.37 80.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.214 173.907 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 81.5 mt -61.46 -35.27 77.15 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.242 174.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 96.1 m-20 -65.95 -50.41 64.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.17 -175.912 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 21.1 t -62.71 -40.46 97.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.181 179.516 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 88.4 mt -73.42 -20.64 60.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.199 -179.851 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 80.8 ttt180 -85.81 -35.11 20.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.183 176.727 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 97.0 mt -89.05 2.92 53.32 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.238 -176.031 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 33.0 m120 65.84 37.32 5.63 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.228 177.426 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 71.7 mmtt -108.78 145.71 32.23 Favored Pre-proline 0 C--N 1.33 -0.257 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.209 176.383 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_endo -65.02 143.97 80.68 Favored 'Trans proline' 0 N--CA 1.459 -0.52 0 C-N-CA 121.693 1.596 . . . . 0.0 111.163 175.16 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 61.0 tp -131.49 124.05 29.34 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.185 -167.671 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 83.1 mt -106.6 121.04 58.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.191 166.867 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 81.0 t -108.81 118.54 56.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.209 -176.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 135' ' ' CYS . . . . . . . . . . . . . 52.8 t -93.41 122.15 35.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.181 174.088 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 27.1 m -84.66 172.83 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.276 -176.278 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 64.3 t30 -97.76 166.46 11.47 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.195 179.426 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 57.0 p-10 -86.93 0.11 55.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.168 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 89.7 p -85.06 -15.65 43.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.211 171.057 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 49.0 tp -76.25 132.93 40.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.24 177.377 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 141' ' ' MET . . . . . . . . . . . . . 59.8 ttm -56.26 135.43 53.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.193 179.371 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -53.57 -38.08 63.53 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.193 -177.584 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 99.6 m-20 -64.78 -37.0 86.12 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.27 176.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 144' ' ' HIS . . . . . . . . . . . . . 66.2 m170 -73.08 -30.28 63.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.21 179.569 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 145' ' ' GLN . . . . . . . . . . . . . 81.3 mt-30 -61.48 -50.8 71.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.139 175.811 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 146' ' ' GLN . . . . . . . . . . . . . 70.8 tp60 -69.97 -35.44 74.45 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.184 179.723 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 147' ' ' GLN . . . . . . . . . . . . . 72.0 tp60 -60.27 -45.22 94.07 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.162 179.008 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 148' ' ' ILE . . . . . . . . . . . . . 85.7 mt -65.54 -44.36 94.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.17 176.141 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -59.24 -41.61 89.13 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.241 -179.785 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 93.7 m-20 -59.51 -38.84 82.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.173 -176.512 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 151' ' ' LYS . . . . . . . . . . . . . 74.9 mmtt -84.72 -33.83 23.04 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.147 -173.263 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 152' ' ' PHE . . . . . . . . . . . . . 11.0 m-30 -71.01 -36.16 72.31 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.247 176.184 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 153' ' ' VAL . . . . . . . . . . . . . 54.0 t -68.41 -40.2 81.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.215 173.387 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -56.82 -41.01 77.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.155 171.026 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 155' ' ' LEU . . . . . . . . . . . . . 44.6 tp -59.65 -58.29 9.25 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.23 176.424 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . 96.0 5.26 59.73 Favored Glycine 0 CA--C 1.522 0.504 0 N-CA-C 111.194 -0.762 . . . . 0.0 111.194 175.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 157' ' ' TYR . . . . . . . . . . . . . 34.8 m-85 -122.63 -10.79 8.31 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.8 0.333 . . . . 0.0 111.23 -179.313 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 158' ' ' VAL . . . . . . . . . . . . . 77.9 t -129.82 140.0 50.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.215 173.168 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 159' ' ' TRP . . . . . . . . . . . . . 51.9 t-105 -121.77 128.43 51.73 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.242 179.7 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 160' ' ' SER . . . . . . . . . . . . . 33.6 t -94.61 139.13 31.61 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.222 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 161' ' ' CYS . . . . . . . . . . . . . 91.8 m -125.46 151.78 45.8 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.16 179.171 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 162' ' ' ALA . . . . . 0.411 ' HB2' ' HD2' ' A' ' 163' ' ' PRO . . . -74.51 161.12 79.37 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.19 -178.431 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 163' ' ' PRO . . . . . 0.411 ' HD2' ' HB2' ' A' ' 162' ' ' ALA . 85.5 Cg_endo -79.5 64.2 8.82 Favored 'Trans proline' 0 N--CA 1.457 -0.653 0 C-N-CA 121.773 1.649 . . . . 0.0 111.219 -177.632 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 164' ' ' THR . . . . . . . . . . . . . 1.9 p -140.16 174.06 10.89 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.167 174.791 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 165' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -83.57 12.25 5.99 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.253 178.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 166' ' ' THR . . . . . . . . . . . . . 74.5 p -132.23 -25.48 1.98 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.223 -174.599 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 167' ' ' GLY . . . . . . . . . . . . . . . -64.93 -33.92 88.53 Favored Glycine 0 CA--C 1.524 0.611 0 N-CA-C 111.223 -0.751 . . . . 0.0 111.223 178.845 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 168' ' ' LEU . . . . . . . . . . . . . 55.5 tp -68.44 -52.04 37.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.77 0.319 . . . . 0.0 111.172 -179.013 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 169' ' ' ILE . . . . . 0.413 HD13 ' HA ' ' A' ' 169' ' ' ILE . 10.0 tp -67.79 -24.2 30.44 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.187 -179.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 170' ' ' ALA . . . . . . . . . . . . . . . -65.34 -41.03 94.33 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.204 170.529 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 171' ' ' GLY . . . . . . . . . . . . . . . -71.7 -30.41 66.26 Favored Glycine 0 CA--C 1.523 0.536 0 N-CA-C 111.231 -0.747 . . . . 0.0 111.231 175.711 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 172' ' ' LEU . . . . . 0.468 HD13 HD22 ' A' ' 34' ' ' LEU . 58.6 mt -73.01 -25.49 60.99 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.813 0.339 . . . . 0.0 111.211 176.57 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 173' ' ' ARG . . . . . . . . . . . . . 42.6 ttm180 -72.09 -37.83 69.49 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.22 164.668 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -77.64 -14.13 59.72 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.21 -176.81 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 28.8 p -63.64 -22.89 67.14 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.215 178.087 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 176' ' ' GLN . . . . . . . . . . . . . 85.7 mt-30 -113.52 -42.78 3.41 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.251 177.297 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 177' ' ' THR . . . . . . . . . . . . . 92.9 m -64.56 -47.0 80.38 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.18 179.353 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 178' ' ' GLU . . . . . . . . . . . . . 68.6 mm-40 -100.18 165.17 11.63 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.16 178.734 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 179' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -66.8 107.16 2.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.219 -178.895 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 180' ' ' LEU . . . . . . . . . . . . . 56.5 tp -141.47 109.92 5.98 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.22 169.845 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 181' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -121.43 160.32 46.46 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.236 -175.458 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 182' ' ' PRO . . . . . . . . . . . . . 51.5 Cg_exo -55.78 135.61 70.41 Favored 'Trans proline' 0 N--CA 1.458 -0.576 0 C-N-CA 121.756 1.638 . . . . 0.0 111.165 176.526 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 183' ' ' PHE . . . . . . . . . . . . . 34.4 t80 -64.58 118.01 43.6 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.195 179.22 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 184' ' ' PRO . . . . . . . . . . . . . 71.3 Cg_endo -82.92 -31.63 0.69 Allowed 'Trans proline' 0 N--CA 1.458 -0.598 0 C-N-CA 121.707 1.605 . . . . 0.0 111.206 -169.236 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 185' ' ' VAL . . . . . . . . . . . . . 98.9 t -76.22 122.37 30.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.192 -172.054 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 186' ' ' SER . . . . . . . . . . . . . 69.6 m -104.71 9.74 34.96 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.211 -174.174 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 187' ' ' HIS . . . . . . . . . . . . . 97.4 m-70 -79.23 118.99 21.68 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.224 177.839 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 188' ' ' ASN . . . . . 0.488 ' N ' ' HD2' ' A' ' 189' ' ' PRO . 99.6 m-20 -62.45 -49.4 83.77 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.18 -168.653 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 189' ' ' PRO . . . . . 0.488 ' HD2' ' N ' ' A' ' 188' ' ' ASN . 74.9 Cg_endo -79.26 -13.52 13.73 Favored 'Trans proline' 0 N--CA 1.458 -0.579 0 C-N-CA 121.697 1.598 . . . . 0.0 111.206 -173.371 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 190' ' ' SER . . . . . . . . . . . . . 46.6 t -65.01 -59.89 3.65 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.207 -178.249 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 191' ' ' PHE . . . . . . . . . . . . . 35.6 p90 -79.14 -18.8 52.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.211 -177.153 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 192' ' ' GLU . . . . . . . . . . . . . 87.4 tt0 -56.42 -52.08 65.99 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.243 174.151 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 193' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -85.66 -38.72 18.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.257 -179.608 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 194' ' ' LEU . . . . . . . . . . . . . 61.8 tp -63.27 -57.84 9.11 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.18 -175.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 195' ' ' LEU . . . . . . . . . . . . . 92.4 mt -99.42 -45.91 5.67 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.181 -166.479 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 196' ' ' VAL . . . . . . . . . . . . . 78.3 t -77.86 -53.98 13.29 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.186 -172.721 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 197' ' ' GLU . . . . . . . . . . . . . 41.3 tt0 -70.02 -66.15 0.63 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.202 -178.33 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 198' ' ' THR . . . . . . . . . . . . . 77.1 m -60.2 -52.48 65.12 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.149 -170.312 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 199' ' ' ILE . . . . . . . . . . . . . 94.4 mt -89.64 -64.04 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.139 -168.34 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 200' ' ' TYR . . . . . . . . . . . . . 80.3 t80 -62.5 -54.77 35.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.22 -172.073 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 201' ' ' SER . . . . . . . . . . . . . 39.5 t . . . . . 0 C--O 1.2 -1.524 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.2 -179.485 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.559 0 N-CA-C 111.221 -0.752 . . . . 0.0 111.221 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 97.3 mt -68.15 -48.19 75.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.833 0.349 . . . . 0.0 111.25 -179.492 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 97.2 mt -70.0 -45.03 77.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.254 178.786 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 83.5 tt0 -144.98 120.35 10.27 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.175 179.518 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 95.3 mt-10 -84.92 126.66 33.68 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.248 177.019 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.423 ' HB2' ' HA ' ' A' ' 39' ' ' PHE . 75.0 mmtt -90.14 135.58 33.57 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.19 173.407 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -124.46 134.55 53.02 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.155 -168.449 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 82.0 mt -86.24 144.84 27.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.167 167.138 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 83.9 t80 -114.79 96.22 5.62 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.198 174.387 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 96.4 t -97.61 121.21 47.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.188 -178.064 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 97.2 m -109.3 121.62 45.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.199 170.461 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 80.1 m -103.08 127.62 50.27 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.231 -179.034 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -72.74 162.83 54.8 Favored Glycine 0 CA--C 1.523 0.584 0 N-CA-C 111.19 -0.764 . . . . 0.0 111.19 177.849 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -95.2 -2.84 48.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.789 0.328 . . . . 0.0 111.199 -178.207 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 90.2 m -57.86 -40.4 80.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.156 179.5 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.416 ' HB ' ' HD2' ' A' ' 17' ' ' PRO . 34.7 m -121.99 163.38 31.85 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.209 177.462 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.416 ' HD2' ' HB ' ' A' ' 16' ' ' VAL . 80.1 Cg_exo -52.58 139.19 57.57 Favored 'Trans proline' 0 N--CA 1.458 -0.584 0 C-N-CA 121.706 1.604 . . . . 0.0 111.2 -179.62 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . 0.591 ' N ' ' CD ' ' A' ' 19' ' ' PRO . 46.1 m-85 -72.76 -38.75 5.11 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.219 -179.512 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . 0.591 ' CD ' ' N ' ' A' ' 18' ' ' PHE . 83.4 Cg_exo -51.25 -34.48 49.3 Favored 'Trans proline' 0 N--CA 1.458 -0.578 0 C-N-CA 121.682 1.588 . . . . 0.0 111.166 176.621 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 95.1 mttt -69.53 -32.52 71.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.22 176.769 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.408 HD23 ' HB3' ' A' ' 116' ' ' HIS . 88.5 mt -88.57 -4.9 58.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.209 -171.655 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 33.9 m -115.01 -2.79 10.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.199 176.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 79.0 p -72.78 -17.19 61.61 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.227 176.04 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 71.6 m -86.32 -18.17 32.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.181 -177.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 33.3 m -107.24 -1.73 9.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.224 -175.24 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 96.6 mt -112.4 15.18 20.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.213 -179.655 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 60.3 p -78.24 154.94 30.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.242 173.877 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -65.89 -36.48 83.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.22 179.072 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -70.45 -40.24 73.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.224 -179.446 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.402 ' CE2' HD23 ' A' ' 34' ' ' LEU . 67.9 t80 -62.78 -51.66 66.23 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.163 177.944 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 86.1 m -64.98 -32.41 74.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.208 -174.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 29.0 tt0 -71.51 -60.06 2.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.191 176.497 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 70.9 mm-40 -63.71 -32.89 74.52 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.202 -172.713 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.402 HD23 ' CE2' ' A' ' 30' ' ' PHE . 54.0 tp -57.86 -47.86 81.5 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.144 -179.458 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 91.0 mt -64.72 -32.61 58.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.17 177.36 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 99.7 mm-40 -68.74 -18.86 64.3 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.187 174.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 18.1 m-30 -88.7 -7.2 56.73 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.211 176.03 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 100.52 1.41 55.48 Favored Glycine 0 CA--C 1.523 0.56 0 N-CA-C 111.252 -0.739 . . . . 0.0 111.252 177.578 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.423 ' HA ' ' HB2' ' A' ' 6' ' ' LYS . 62.8 m-85 -97.5 128.11 44.0 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.766 0.317 . . . . 0.0 111.197 -177.366 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 27.5 m -131.85 -2.88 1.91 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.208 -173.727 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 28.2 ttm180 -124.94 139.97 53.35 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.183 177.639 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 57.8 tp -133.44 115.4 14.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.248 -179.807 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.43 HG23 ' CD1' ' A' ' 96' ' ' PHE . 98.2 mt -104.95 118.56 52.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.203 178.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 79.6 mt -118.56 115.94 49.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.178 -176.823 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 55.9 tp60 -78.41 129.73 35.28 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.243 173.828 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 77.6 m-85 -113.9 158.88 20.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.235 177.575 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -77.19 -62.12 2.51 Favored Glycine 0 CA--C 1.523 0.564 0 N-CA-C 111.199 -0.76 . . . . 0.0 111.199 -176.733 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 66.6 ttt180 -159.91 127.59 4.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.749 0.309 . . . . 0.0 111.208 -176.772 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 61.4 t30 61.02 57.43 2.53 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.185 171.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 87.5 m-85 -129.33 -36.69 1.69 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.202 173.501 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' SER . . . . . 0.435 ' O ' ' HB2' ' A' ' 82' ' ' ARG . 52.1 p -85.08 5.73 28.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.156 -179.714 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 69.5 m -55.78 -52.51 63.71 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.201 169.553 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 25.5 pt-20 -166.42 154.22 10.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.207 173.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 71.3 m-85 -122.78 25.02 8.87 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.223 174.904 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 25.3 tp10 -42.2 -45.15 4.0 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.174 -174.81 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 82.7 t60 -56.36 -55.08 37.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.183 178.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 97.1 mt -63.11 -33.02 74.55 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.201 -177.402 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.456 HG22 ' HB2' ' A' ' 65' ' ' ARG . 73.5 t -67.99 -36.99 77.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.239 -176.787 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 85.1 mt-30 -75.22 -18.64 60.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.234 179.522 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 76.3 mm-40 -80.07 -5.23 55.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.185 179.717 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 89.4 mmt-85 -125.15 -28.64 3.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.214 175.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 85.14 38.24 9.32 Favored Glycine 0 CA--C 1.523 0.562 0 N-CA-C 111.19 -0.764 . . . . 0.0 111.19 -173.753 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -95.31 -155.72 31.46 Favored Glycine 0 CA--C 1.524 0.608 0 N-CA-C 111.162 -0.775 . . . . 0.0 111.162 -175.176 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . 0.411 ' HB3' ' HB ' ' A' ' 85' ' ' VAL . 62.9 tt0 -130.48 141.44 50.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.808 0.337 . . . . 0.0 111.157 -179.213 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . 0.456 ' HB2' HG22 ' A' ' 58' ' ' VAL . 69.2 ttp85 -119.93 121.92 40.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.157 -173.392 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 78.0 mm-40 -135.73 168.18 19.77 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.227 -175.823 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 70.1 m -97.74 136.93 37.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.183 -177.798 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . 0.465 ' HG2' ' HB2' ' A' ' 83' ' ' GLN . 80.5 mm-40 -120.01 103.62 9.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.192 168.79 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 93.9 mttt -99.98 80.39 2.3 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.179 177.353 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 73.4 mt -99.07 126.64 37.44 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.218 -174.768 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 79.2 Cg_exo -50.81 128.31 23.92 Favored 'Trans proline' 0 N--CA 1.458 -0.614 0 C-N-CA 121.679 1.586 . . . . 0.0 111.204 178.299 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 96.8 mt -78.21 -44.01 27.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.165 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 99.2 m-20 -75.79 -10.47 59.45 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.162 -171.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 63.2 tt0 -105.01 -49.96 3.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.207 -178.522 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 91.0 m-85 -103.33 -17.76 15.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.238 -173.402 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 79.7 18.93 71.95 Favored Glycine 0 CA--C 1.523 0.535 0 N-CA-C 111.193 -0.763 . . . . 0.0 111.193 -178.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 73.9 m -118.69 152.69 35.65 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.767 0.317 . . . . 0.0 111.238 -179.673 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -63.87 142.35 46.38 Favored Glycine 0 CA--C 1.523 0.59 0 N-CA-C 111.199 -0.76 . . . . 0.0 111.199 -172.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 56.5 p-10 -93.25 6.74 47.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.763 0.316 . . . . 0.0 111.206 177.449 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 54.3 p -124.97 41.74 3.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.212 174.739 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -86.5 145.53 26.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.184 -171.256 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . 0.435 ' HB2' ' O ' ' A' ' 51' ' ' SER . 20.2 tpp180 -110.03 115.27 29.47 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.221 -176.613 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . 0.465 ' HB2' ' HG2' ' A' ' 68' ' ' GLN . 64.7 tt0 -83.02 118.32 23.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.166 -176.738 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -110.02 99.45 8.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.161 177.55 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . 0.411 ' HB ' ' HB3' ' A' ' 64' ' ' GLN . 91.4 t -77.08 124.0 34.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.186 -175.26 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 83.8 mt -125.79 161.61 26.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.168 178.494 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 92.8 mmm 66.01 30.02 9.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.231 173.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 96.5 m-20 65.08 35.6 7.88 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.21 176.27 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 88.37 29.14 20.38 Favored Glycine 0 CA--C 1.524 0.601 0 N-CA-C 111.206 -0.758 . . . . 0.0 111.206 176.206 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -115.53 -20.25 10.28 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.785 0.326 . . . . 0.0 111.233 179.53 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.42 ' HG ' HG21 ' A' ' 93' ' ' VAL . 64.6 tp -121.72 120.08 33.61 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.183 177.601 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 97.1 mttt -101.78 91.68 4.5 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.173 -178.056 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . 0.42 HG21 ' HG ' ' A' ' 91' ' ' LEU . 84.3 t -95.54 105.89 17.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.207 176.032 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 67.6 mt -115.03 122.98 70.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.206 -175.148 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -85.44 133.26 11.66 Favored Glycine 0 CA--C 1.524 0.597 0 N-CA-C 111.194 -0.762 . . . . 0.0 111.194 179.865 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' PHE . . . . . 0.43 ' CD1' HG23 ' A' ' 43' ' ' ILE . 96.8 m-85 -122.44 101.61 7.6 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.776 0.322 . . . . 0.0 111.2 -178.824 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 28.5 t70 -97.73 92.05 5.68 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.202 168.34 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 12.6 p90 -152.02 179.92 8.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.211 -179.824 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 82.1 p -61.23 -176.87 0.08 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.177 -176.055 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 47.0 p -91.52 35.39 0.95 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.203 -173.655 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 75.5 mmtt -80.68 8.2 8.53 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.172 169.295 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 25.9 ptt? -66.56 -10.06 41.43 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.171 174.666 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 88.5 mt-30 -59.93 -22.53 62.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.225 174.332 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 71.4 m -76.87 -37.05 56.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.24 171.918 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 96.6 mt -66.89 -43.09 89.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.187 -177.839 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 17.7 tt -64.73 -18.02 22.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.205 -173.199 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 79.3 ttt180 -98.7 -40.08 8.35 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.218 176.648 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 96.3 m-20 -87.65 -54.12 4.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.212 -167.854 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' TYR . . . . . . . . . . . . . 90.9 m-85 -95.59 -36.15 11.36 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.214 -171.117 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 47.3 t -60.43 129.02 39.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.173 -176.377 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 53.3 m-20 -105.56 -30.53 9.46 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.234 169.46 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 10.0 tt -139.05 132.12 29.62 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.196 168.389 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 90.8 t -91.96 139.06 18.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.189 -174.323 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 69.4 mt -131.81 134.29 60.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.221 179.352 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 32.3 t -122.24 113.38 19.38 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.223 -178.296 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 116' ' ' HIS . . . . . 0.408 ' HB3' HD23 ' A' ' 21' ' ' LEU . 36.1 m170 -100.07 127.44 46.3 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.2 177.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . 59.36 53.04 5.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.19 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 170.13 157.99 13.29 Favored Glycine 0 CA--C 1.523 0.546 0 N-CA-C 111.169 -0.772 . . . . 0.0 111.169 175.113 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 72.3 p -128.04 1.2 5.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.766 0.317 . . . . 0.0 111.143 -176.686 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -68.97 -17.61 71.81 Favored Glycine 0 CA--C 1.523 0.564 0 N-CA-C 111.212 -0.755 . . . . 0.0 111.212 -178.456 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 60.2 m -65.25 -23.08 66.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.821 0.343 . . . . 0.0 111.203 179.751 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 122' ' ' ILE . . . . . . . . . . . . . 96.6 mt -51.96 -38.6 23.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.192 178.649 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . 0.419 HD21 HD21 ' A' ' 195' ' ' LEU . 93.8 mt -65.16 -32.27 73.88 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.196 -177.319 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 52.6 m-20 -97.27 -34.67 11.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.213 -168.38 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 32.9 t -69.45 -41.68 75.92 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.231 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 39.7 mt -80.81 -26.91 36.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.232 -170.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 52.9 ptt85 -74.8 -11.72 60.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.183 174.312 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 95.2 mt -95.25 -3.75 47.0 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.232 170.039 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 88.9 m-20 64.74 34.66 9.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.241 -174.307 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 95.8 mttt -116.43 148.14 41.11 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.207 -177.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 46.6 Cg_endo -69.05 147.48 67.57 Favored 'Trans proline' 0 N--CA 1.459 -0.542 0 C-N-CA 121.688 1.592 . . . . 0.0 111.187 -179.29 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 132' ' ' LEU . . . . . 0.433 ' HB3' HG23 ' A' ' 158' ' ' VAL . 43.4 tp -128.25 128.38 44.56 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.169 178.891 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 89.9 mt -107.87 122.85 62.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.193 169.89 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 89.5 t -109.14 128.07 65.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.171 -177.28 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 135' ' ' CYS . . . . . . . . . . . . . 53.4 t -105.09 122.9 46.85 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.211 -179.013 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 69.9 t -66.94 130.68 32.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.17 179.526 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 46.0 p-10 -90.38 -174.9 4.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.154 177.646 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 96.7 m-20 -70.92 -34.94 72.02 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.21 -179.366 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 60.6 p -74.44 -22.67 59.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.212 -172.226 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 58.9 tp -91.73 123.65 35.27 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.175 -176.751 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 141' ' ' MET . . . . . . . . . . . . . 99.1 mmm -91.69 50.12 1.66 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.229 178.589 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 70.6 m-20 56.5 32.25 20.44 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.24 178.175 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 98.9 m-20 -76.89 -40.35 47.73 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.181 179.684 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 144' ' ' HIS . . . . . . . . . . . . . 96.4 m-70 -94.38 -14.62 25.12 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.204 176.344 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 145' ' ' GLN . . . . . . . . . . . . . 14.3 tm0? -64.2 -49.56 71.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.187 177.304 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 146' ' ' GLN . . . . . . . . . . . . . 72.0 tp60 -66.82 -39.61 87.75 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.213 178.52 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 147' ' ' GLN . . . . . . . . . . . . . 7.3 tp60 -55.55 -52.66 62.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.18 176.463 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 148' ' ' ILE . . . . . . . . . . . . . 87.4 mt -59.37 -43.99 91.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.168 177.641 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -62.29 -34.99 77.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.21 -179.634 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 93.6 m-20 -69.95 -40.26 75.57 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.213 -176.446 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 151' ' ' LYS . . . . . . . . . . . . . 75.9 mmtt -115.01 -59.96 1.95 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.24 -169.453 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 152' ' ' PHE . . . . . 0.489 ' HB3' ' HB ' ' A' ' 158' ' ' VAL . 37.9 m-85 -74.99 -31.18 61.37 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.202 -163.386 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 153' ' ' VAL . . . . . . . . . . . . . 55.0 t -70.1 -39.96 77.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.182 175.04 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -69.85 -31.0 68.62 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.158 176.311 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 155' ' ' LEU . . . . . . . . . . . . . 96.0 mt -79.49 -28.69 41.45 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.236 174.538 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . 80.82 46.54 7.14 Favored Glycine 0 CA--C 1.523 0.584 0 N-CA-C 111.199 -0.76 . . . . 0.0 111.199 174.241 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 157' ' ' TYR . . . . . . . . . . . . . 81.4 m-85 -125.47 -44.95 1.82 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.814 0.34 . . . . 0.0 111.203 177.045 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 158' ' ' VAL . . . . . 0.489 ' HB ' ' HB3' ' A' ' 152' ' ' PHE . 48.1 t -125.06 129.2 73.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.206 178.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 159' ' ' TRP . . . . . . . . . . . . . 25.9 m-90 -119.97 129.93 54.53 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.224 -178.15 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 160' ' ' SER . . . . . . . . . . . . . 97.4 p -86.94 151.12 23.58 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.216 -179.656 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 161' ' ' CYS . . . . . . . . . . . . . 92.1 m -129.99 147.98 51.8 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.206 175.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -65.7 158.29 75.23 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.238 177.832 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 163' ' ' PRO . . . . . . . . . . . . . 93.2 Cg_endo -74.96 65.77 6.01 Favored 'Trans proline' 0 N--CA 1.458 -0.608 0 C-N-CA 121.709 1.606 . . . . 0.0 111.23 179.246 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 164' ' ' THR . . . . . . . . . . . . . 13.1 t -160.29 -179.3 7.6 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.238 178.048 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 165' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 -73.74 -40.69 63.33 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.21 -172.868 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 166' ' ' THR . . . . . . . . . . . . . 81.4 p -81.39 -15.03 56.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.185 -173.818 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 167' ' ' GLY . . . . . . . . . . . . . . . -66.92 -47.92 63.47 Favored Glycine 0 CA--C 1.524 0.601 0 N-CA-C 111.153 -0.779 . . . . 0.0 111.153 177.536 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 168' ' ' LEU . . . . . . . . . . . . . 59.7 tp -64.32 -39.88 94.79 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.785 0.326 . . . . 0.0 111.155 176.857 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 96.0 mt -61.28 -43.83 97.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.255 177.744 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 170' ' ' ALA . . . . . . . . . . . . . . . -65.51 -33.01 74.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.222 175.304 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 171' ' ' GLY . . . . . . . . . . . . . . . -62.39 -37.04 93.98 Favored Glycine 0 CA--C 1.523 0.564 0 N-CA-C 111.223 -0.751 . . . . 0.0 111.223 178.641 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 83.1 mt -61.05 -35.04 75.86 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.78 0.324 . . . . 0.0 111.166 177.316 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 173' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -77.38 -32.82 55.15 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.207 174.533 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -64.96 -31.18 72.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.17 -179.224 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 54.0 p -64.28 -20.82 66.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.176 179.508 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 176' ' ' GLN . . . . . . . . . . . . . 92.7 mm-40 -100.96 6.26 43.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.219 -176.626 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 177' ' ' THR . . . . . . . . . . . . . 89.4 m -70.59 -45.45 65.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.248 -179.038 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 178' ' ' GLU . . . . . . . . . . . . . 94.3 mt-10 -123.97 149.95 45.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.19 -178.531 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 179' ' ' LYS . . . . . . . . . . . . . 87.4 tttt -76.4 110.05 10.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.191 -179.422 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 180' ' ' LEU . . . . . 0.472 HD21 ' C ' ' A' ' 180' ' ' LEU . 7.1 tt -78.49 102.04 7.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.183 179.894 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 181' ' ' LYS . . . . . 0.455 ' HA ' ' HD3' ' A' ' 182' ' ' PRO . 99.5 mttt -93.67 149.15 36.67 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.205 178.892 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 182' ' ' PRO . . . . . 0.455 ' HD3' ' HA ' ' A' ' 181' ' ' LYS . 56.3 Cg_exo -56.84 148.89 63.89 Favored 'Trans proline' 0 N--CA 1.458 -0.56 0 C-N-CA 121.736 1.624 . . . . 0.0 111.154 -178.377 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 183' ' ' PHE . . . . . . . . . . . . . 53.0 m-85 -74.69 149.71 86.1 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.233 177.538 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 184' ' ' PRO . . . . . . . . . . . . . 60.6 Cg_endo -74.04 -17.95 21.73 Favored 'Trans proline' 0 N--CA 1.459 -0.553 0 C-N-CA 121.694 1.596 . . . . 0.0 111.215 -177.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 185' ' ' VAL . . . . . . . . . . . . . 59.8 t -91.38 116.27 32.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.195 -177.029 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 186' ' ' SER . . . . . . . . . . . . . 95.2 p -87.71 -15.45 37.05 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.199 -177.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 187' ' ' HIS . . . . . . . . . . . . . 96.9 m-70 -90.88 120.09 31.62 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.211 -179.233 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 188' ' ' ASN . . . . . 0.497 ' N ' ' CD ' ' A' ' 189' ' ' PRO . 98.8 m-20 -69.81 -46.24 24.25 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.179 -177.543 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 189' ' ' PRO . . . . . 0.497 ' CD ' ' N ' ' A' ' 188' ' ' ASN . 67.4 Cg_exo -56.52 -40.16 86.41 Favored 'Trans proline' 0 N--CA 1.458 -0.584 0 C-N-CA 121.684 1.589 . . . . 0.0 111.255 -179.45 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 190' ' ' SER . . . . . . . . . . . . . 71.1 m -79.47 -39.91 31.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.184 -179.19 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 191' ' ' PHE . . . . . . . . . . . . . 66.0 t80 -59.93 -43.49 94.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.144 -179.58 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 192' ' ' GLU . . . . . . . . . . . . . 95.4 mt-10 -59.93 -39.2 84.7 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.253 179.876 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 193' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -70.37 -30.05 66.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.149 178.617 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 194' ' ' LEU . . . . . . . . . . . . . 96.0 mt -82.04 -24.03 35.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.155 175.913 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 195' ' ' LEU . . . . . 0.419 HD21 HD21 ' A' ' 123' ' ' LEU . 41.8 tp -79.94 -39.97 29.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.19 -174.64 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 196' ' ' VAL . . . . . . . . . . . . . 23.2 m -63.01 -19.68 24.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.235 -179.902 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 197' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -67.26 -28.22 67.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.215 175.167 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 198' ' ' THR . . . . . . . . . . . . . 63.1 p -98.51 -24.58 15.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.25 179.59 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 199' ' ' ILE . . . . . . . . . . . . . 96.9 mt -68.63 -44.79 82.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.208 174.467 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 200' ' ' TYR . . . . . . . . . . . . . 68.0 m-85 -106.56 23.31 14.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.196 -177.715 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 201' ' ' SER . . . . . . . . . . . . . 42.7 t . . . . . 0 C--O 1.199 -1.567 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.218 177.49 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.539 0 N-CA-C 111.143 -0.783 . . . . 0.0 111.143 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 97.2 mt -69.29 -46.98 76.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.831 0.348 . . . . 0.0 111.279 -179.672 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 97.2 mt -70.04 -45.98 74.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.187 179.265 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -151.02 133.57 15.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.202 179.354 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -94.95 88.01 5.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.216 178.189 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 91.4 mttt -83.05 156.09 23.54 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.232 -176.897 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -143.96 131.73 21.38 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.193 -172.715 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 91.4 mt -94.77 147.86 22.89 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.195 177.376 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 40.0 t80 -123.04 118.1 26.98 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.129 168.338 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 94.2 t -110.08 125.2 67.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.256 -168.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 96.9 m -125.01 117.25 23.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.189 171.571 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 72.4 m -82.78 168.68 16.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.244 -175.144 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -120.92 -160.39 11.07 Favored Glycine 0 CA--C 1.522 0.516 0 N-CA-C 111.2 -0.76 . . . . 0.0 111.2 -176.78 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -90.26 -48.14 7.34 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.745 0.307 . . . . 0.0 111.151 -176.506 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 80.0 m -69.88 -40.41 75.7 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.217 178.909 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 42.7 t -121.76 83.03 42.27 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.253 172.419 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.484 ' HG2' ' HD2' ' A' ' 19' ' ' PRO . 91.1 Cg_endo -81.04 -132.27 0.01 OUTLIER 'Trans proline' 0 N--CA 1.458 -0.587 0 C-N-CA 121.707 1.605 . . . . 0.0 111.16 -176.904 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . 0.564 ' HB2' ' HD3' ' A' ' 19' ' ' PRO . 93.6 m-85 -96.27 -45.9 0.25 Allowed Pre-proline 0 C--N 1.328 -0.329 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.195 -164.366 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . 0.564 ' HD3' ' HB2' ' A' ' 18' ' ' PHE . 83.0 Cg_exo -50.22 -27.9 18.76 Favored 'Trans proline' 0 N--CA 1.458 -0.608 0 C-N-CA 121.699 1.599 . . . . 0.0 111.221 175.628 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 90.9 mttt -95.01 -60.02 1.77 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.221 178.846 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 25.3 tp -70.78 -37.24 73.31 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.214 -166.643 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 76.2 t -71.88 -38.94 66.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.267 -178.837 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 94.9 p -68.45 -23.02 64.56 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.213 178.613 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 99.4 m -86.88 -39.49 15.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.197 177.626 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -74.62 -20.07 16.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.203 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 89.0 mt -108.38 20.82 18.14 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.221 174.861 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 58.8 p -75.08 159.97 31.05 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.212 177.345 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 99.4 m-20 -65.11 -41.54 94.83 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.229 177.818 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 87.9 tt0 -68.51 -44.66 74.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.188 -177.625 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 68.5 t80 -61.82 -51.01 69.99 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.234 179.693 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 80.7 m -68.73 -29.24 67.62 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.205 -176.065 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 66.9 tt0 -54.61 -45.42 73.65 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.154 177.901 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 94.0 mt-10 -88.22 -27.89 21.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.215 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 42.4 tp -48.88 -48.79 41.89 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.187 177.883 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 8.3 tp -69.26 -20.05 24.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.216 179.838 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 65.2 mt-30 -90.29 -4.99 56.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.185 178.512 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 38.4 m-85 -99.67 -4.31 31.13 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.19 171.539 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 97.76 11.88 48.96 Favored Glycine 0 CA--C 1.523 0.592 0 N-CA-C 111.15 -0.78 . . . . 0.0 111.15 172.719 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 74.6 m-85 -93.16 125.84 37.96 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.82 0.343 . . . . 0.0 111.249 -177.763 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 35.8 m -125.13 -11.66 5.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.174 -175.148 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 82.4 mtt85 -122.97 142.46 50.81 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.201 177.596 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 61.9 tp -141.19 114.91 8.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.234 178.904 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 90.5 mt -103.8 125.02 58.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.248 -177.121 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 41.4 mm -110.61 116.91 53.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.222 -177.068 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 50.9 tt0 -91.73 102.06 14.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.274 179.536 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . 0.454 ' HA ' ' CE2' ' A' ' 18' ' ' PHE . 78.1 m-85 -84.22 148.8 26.53 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.173 178.112 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -84.84 -165.07 39.36 Favored Glycine 0 CA--C 1.524 0.61 0 N-CA-C 111.156 -0.778 . . . . 0.0 111.156 -174.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -79.06 -20.95 47.56 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.739 0.304 . . . . 0.0 111.206 -176.845 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 73.3 m-80 -102.1 8.41 40.77 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.203 179.106 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 97.0 m-85 -129.04 141.39 51.25 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.204 -177.801 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 84.8 p -109.42 163.68 13.19 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.187 179.518 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 19.5 p -85.08 62.0 7.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.137 179.514 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 53.1 mt-10 -112.57 118.93 36.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.193 -179.371 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 93.6 m-85 -109.95 15.22 22.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.163 177.578 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -60.41 -30.03 69.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.248 -176.236 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 86.4 t60 -61.41 -40.52 94.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.16 175.719 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 93.6 mt -88.04 -7.78 56.52 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.224 -172.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 55.8 t -60.61 -30.09 46.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.16 171.886 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 98.7 mm-40 -106.58 -30.0 9.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.193 178.335 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 75.1 mm-40 -89.13 -9.76 49.79 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.151 -175.03 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 90.7 mmt-85 -128.29 -42.47 1.51 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.215 173.375 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 109.23 19.33 8.53 Favored Glycine 0 CA--C 1.523 0.56 0 N-CA-C 111.208 -0.757 . . . . 0.0 111.208 173.196 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -87.86 174.35 44.22 Favored Glycine 0 CA--C 1.523 0.533 0 N-CA-C 111.234 -0.746 . . . . 0.0 111.234 -179.113 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 96.3 mm-40 -110.05 159.94 16.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.831 0.348 . . . . 0.0 111.217 175.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 79.0 ttt-85 -135.42 125.22 25.5 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.21 -174.422 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -146.67 139.86 25.55 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.218 176.515 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' SER . . . . . 0.405 ' HA ' ' HD3' ' A' ' 82' ' ' ARG . 95.6 p -74.66 159.01 32.63 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.24 -172.194 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 54.1 mm-40 -140.02 121.6 15.22 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.185 177.339 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -107.7 99.0 8.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.205 174.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.412 ' HB ' ' HB3' ' A' ' 77' ' ' CYS . 80.3 mt -114.83 134.31 22.46 Favored Pre-proline 0 C--N 1.328 -0.363 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.221 -164.627 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 56.8 Cg_endo -72.81 167.64 26.7 Favored 'Trans proline' 0 N--CA 1.458 -0.603 0 C-N-CA 121.719 1.612 . . . . 0.0 111.248 -176.366 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 50.9 pt -102.92 -7.19 9.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.16 178.627 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 67.4 m-20 -95.06 -29.46 14.58 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.142 -177.038 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 99.6 mm-40 -100.67 -30.03 11.97 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.199 -177.702 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 82.4 m-85 -124.87 -58.95 1.45 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.161 -176.403 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 113.03 42.59 0.91 Allowed Glycine 0 CA--C 1.524 0.649 0 N-CA-C 111.151 -0.78 . . . . 0.0 111.151 -179.088 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' CYS . . . . . 0.412 ' HB3' ' HB ' ' A' ' 70' ' ' ILE . 10.9 t -136.16 179.98 6.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.771 0.319 . . . . 0.0 111.194 -177.057 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -110.19 -159.85 17.6 Favored Glycine 0 CA--C 1.523 0.552 0 N-CA-C 111.202 -0.759 . . . . 0.0 111.202 -172.804 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 58.9 p-10 -114.13 5.36 15.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.814 0.34 . . . . 0.0 111.241 -178.859 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 59.7 p -93.89 -2.38 53.44 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.111 172.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -58.66 129.45 42.14 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.265 177.27 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . 0.405 ' HD3' ' HA ' ' A' ' 67' ' ' SER . 90.0 mmt-85 -128.79 120.72 26.88 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.181 176.914 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 67.0 tt0 -81.51 126.91 32.25 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.241 -176.467 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . 0.44 ' HB3' ' HB ' ' A' ' 93' ' ' VAL . 68.9 t80 -125.63 128.71 48.3 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.178 177.04 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 84.3 t -98.55 123.44 51.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.219 -166.68 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 93.4 mt -130.0 162.81 27.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.291 170.618 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 88.3 mmm 61.58 30.01 18.49 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.177 176.202 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 96.5 m-20 65.05 34.41 8.82 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.143 177.222 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 95.36 -3.46 66.21 Favored Glycine 0 CA--C 1.522 0.517 0 N-CA-C 111.183 -0.767 . . . . 0.0 111.183 175.781 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -80.79 -20.82 41.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.767 0.318 . . . . 0.0 111.228 -179.477 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 63.5 tp -116.91 109.94 17.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.208 173.659 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -93.42 109.95 21.51 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.229 177.186 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . 0.44 ' HB ' ' HB3' ' A' ' 84' ' ' TYR . 62.2 t -99.65 119.11 47.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.223 -179.715 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 75.3 mt -112.51 105.98 19.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.168 -178.557 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -93.91 142.49 16.03 Favored Glycine 0 CA--C 1.523 0.559 0 N-CA-C 111.164 -0.774 . . . . 0.0 111.164 175.658 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 27.5 p90 -148.37 161.55 41.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.854 0.359 . . . . 0.0 111.211 178.738 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . 0.649 ' O ' ' C ' ' A' ' 98' ' ' PHE . 64.9 t0 -100.04 106.3 18.04 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.263 -179.89 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . 0.649 ' C ' ' O ' ' A' ' 97' ' ' ASP . 82.9 t80 -5.09 99.17 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.149 -175.421 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 66.4 m -120.72 148.45 43.93 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.148 177.144 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 81.0 p -82.95 -18.8 38.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.157 171.638 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -71.05 -39.88 71.99 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.204 174.186 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' MET . . . . . 0.406 ' SD ' ' SG ' ' A' ' 77' ' ' CYS . 25.9 ttt -90.02 83.84 6.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.214 176.948 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 87.5 mm-40 -134.45 -35.04 0.92 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.239 175.749 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 47.5 t -70.1 -49.37 51.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.169 -178.913 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 16.9 tt -60.61 -27.22 40.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.228 -176.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 96.7 mt -71.19 -49.71 46.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.157 176.041 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 96.6 mtt180 -64.97 -29.94 70.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.185 175.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 99.4 m-20 -75.76 -37.13 59.57 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.151 -175.013 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' TYR . . . . . . . . . . . . . 14.2 m-30 -100.0 -50.04 4.12 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.177 -172.533 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 48.2 t -64.99 134.26 53.51 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.224 -171.541 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 54.3 p-10 -130.0 0.98 4.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.128 178.171 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 67.4 tp -147.29 124.95 11.78 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.179 167.719 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 58.2 t -104.61 132.27 51.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.225 -173.427 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 114' ' ' ILE . . . . . 0.457 HG12 ' HB ' ' A' ' 133' ' ' ILE . 82.1 mt -120.77 128.73 76.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.194 176.812 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 91.3 p -143.97 155.0 43.87 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.175 -178.256 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 84.0 t60 -83.76 147.53 27.55 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.158 169.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -69.86 84.93 0.49 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.236 -177.318 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -133.36 173.18 21.22 Favored Glycine 0 CA--C 1.523 0.539 0 N-CA-C 111.271 -0.732 . . . . 0.0 111.271 174.648 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 96.8 m -62.97 -57.73 9.75 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.727 0.299 . . . . 0.0 111.223 -177.071 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -85.03 -25.02 42.2 Favored Glycine 0 CA--C 1.523 0.56 0 N-CA-C 111.207 -0.757 . . . . 0.0 111.207 -178.773 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 73.2 m -64.91 -49.57 69.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.769 0.319 . . . . 0.0 111.15 -178.285 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 122' ' ' ILE . . . . . . . . . . . . . 94.7 mt -64.75 -45.83 93.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.212 176.094 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 36.2 tp -61.54 -38.09 86.17 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.244 -175.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 93.6 m-20 -70.16 -34.99 73.71 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.191 177.381 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 97.4 p -76.86 -13.66 59.97 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.198 178.11 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 91.5 mt -92.14 10.02 31.09 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.192 173.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 76.1 mtp85 -74.38 -14.76 60.91 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.155 171.078 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 8.3 mp -108.42 155.11 20.94 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.192 172.82 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 11.4 m120 -93.57 8.06 42.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.177 177.231 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 30.2 mmtp -80.96 152.28 71.46 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.212 -178.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_exo -50.6 148.1 16.22 Favored 'Trans proline' 0 N--CA 1.459 -0.55 0 C-N-CA 121.731 1.621 . . . . 0.0 111.164 178.461 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 132' ' ' LEU . . . . . 0.532 ' O ' ' HA ' ' A' ' 158' ' ' VAL . 56.7 tp -125.04 125.58 44.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.233 -166.47 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 133' ' ' ILE . . . . . 0.457 ' HB ' HG12 ' A' ' 114' ' ' ILE . 91.7 mt -95.3 124.52 47.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.18 166.815 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 89.5 t -115.49 120.59 65.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.234 -179.762 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 135' ' ' CYS . . . . . 0.544 ' SG ' ' HA ' ' A' ' 163' ' ' PRO . 46.6 t -87.24 110.72 20.38 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.174 171.508 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 27.5 m -63.37 159.76 3.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.144 -168.052 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 -94.97 172.8 7.93 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.16 -175.605 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 67.2 m-20 -106.53 -25.22 11.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.156 174.847 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 86.6 p -75.6 -15.0 60.4 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.198 178.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 98.5 mt -66.54 145.01 56.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.181 174.37 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 141' ' ' MET . . . . . . . . . . . . . 66.2 mtt -68.47 159.98 30.64 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.213 176.382 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -53.32 -38.82 63.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.167 176.117 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 99.4 m-20 -68.43 -39.84 81.39 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.195 176.617 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 144' ' ' HIS . . . . . . . . . . . . . 59.3 m170 -59.56 -46.86 87.67 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.188 178.525 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 145' ' ' GLN . . . . . . . . . . . . . 89.8 mt-30 -66.89 -47.41 71.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.216 -177.795 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 146' ' ' GLN . . . . . . . . . . . . . 72.9 tp60 -65.12 -46.95 78.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.231 -176.482 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 147' ' ' GLN . . . . . . . . . . . . . 99.3 mm-40 -72.3 -40.63 67.37 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.247 -170.788 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 148' ' ' ILE . . . . . . . . . . . . . 6.2 tp -77.61 -30.49 16.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.224 -176.073 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -68.89 -37.2 78.87 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.191 174.269 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 95.5 m-20 -69.93 -31.09 68.66 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.207 175.354 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 151' ' ' LYS . . . . . . . . . . . . . 65.5 mmtt -78.58 -30.08 46.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.198 179.63 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 152' ' ' PHE . . . . . . . . . . . . . 13.4 m-30 -55.83 -43.84 77.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.224 175.481 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 153' ' ' VAL . . . . . . . . . . . . . 96.2 t -88.05 -40.21 13.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.237 -177.35 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 42.8 tt0 -53.94 -46.99 71.7 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.17 176.911 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 155' ' ' LEU . . . . . 0.411 ' HB3' ' CD2' ' A' ' 157' ' ' TYR . 91.2 mt -65.19 -36.83 85.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.208 173.315 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . 79.73 36.65 25.21 Favored Glycine 0 CA--C 1.523 0.581 0 N-CA-C 111.15 -0.78 . . . . 0.0 111.15 175.319 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 157' ' ' TYR . . . . . 0.411 ' CD2' ' HB3' ' A' ' 155' ' ' LEU . 22.3 m-85 -126.02 -25.0 3.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.799 0.333 . . . . 0.0 111.215 179.467 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 158' ' ' VAL . . . . . 0.532 ' HA ' ' O ' ' A' ' 132' ' ' LEU . 64.4 t -123.3 140.03 48.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.191 -166.051 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 159' ' ' TRP . . . . . . . . . . . . . 31.3 m-90 -97.69 144.99 26.77 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.205 171.188 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 160' ' ' SER . . . . . . . . . . . . . 41.7 t -105.38 115.33 30.07 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.165 179.56 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 161' ' ' CYS . . . . . . . . . . . . . 71.7 m -117.97 159.22 23.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.151 179.858 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -85.47 155.74 59.53 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.181 -179.648 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 163' ' ' PRO . . . . . 0.544 ' HA ' ' SG ' ' A' ' 135' ' ' CYS . 93.7 Cg_endo -77.73 68.13 7.75 Favored 'Trans proline' 0 N--CA 1.458 -0.6 0 C-N-CA 121.636 1.557 . . . . 0.0 111.248 -179.405 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 164' ' ' THR . . . . . . . . . . . . . 13.6 t -160.56 178.93 9.02 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.199 175.818 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 165' ' ' GLU . . . . . . . . . . . . . 89.2 tt0 -64.97 -43.93 91.0 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.202 -174.652 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 166' ' ' THR . . . . . . . . . . . . . 80.4 p -73.62 -20.07 60.69 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.166 -177.344 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 167' ' ' GLY . . . . . . . . . . . . . . . -71.34 -43.22 55.19 Favored Glycine 0 CA--C 1.523 0.582 0 N-CA-C 111.309 -0.717 . . . . 0.0 111.309 174.854 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 168' ' ' LEU . . . . . . . . . . . . . 69.2 tp -60.38 -46.96 88.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.761 0.315 . . . . 0.0 111.214 172.901 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 97.8 mt -60.78 -39.94 83.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.216 175.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 170' ' ' ALA . . . . . . . . . . . . . . . -71.43 -16.24 62.38 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.218 -178.738 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 171' ' ' GLY . . . . . . . . . . . . . . . -62.33 -47.95 85.9 Favored Glycine 0 CA--C 1.523 0.568 0 N-CA-C 111.231 -0.748 . . . . 0.0 111.231 176.873 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 93.1 mt -70.16 -33.54 71.89 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.777 0.323 . . . . 0.0 111.22 176.456 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 173' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -65.2 -34.45 78.4 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.238 174.051 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -70.84 -41.38 71.57 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.266 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 87.2 p -68.46 -29.87 68.61 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.191 176.355 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 176' ' ' GLN . . . . . . . . . . . . . 71.1 tp60 -71.08 -40.54 71.52 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.168 175.555 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 177' ' ' THR . . . . . . . . . . . . . 89.0 m -70.49 -44.71 67.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.213 179.084 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 178' ' ' GLU . . . . . . . . . . . . . 89.2 tt0 -142.73 109.98 5.65 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.222 -178.047 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 179' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -80.23 140.78 36.1 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.216 179.228 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 180' ' ' LEU . . . . . . . . . . . . . 94.4 mt -116.82 172.12 7.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.23 -177.862 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 181' ' ' LYS . . . . . . . . . . . . . 75.3 mmtt -90.22 158.24 44.08 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.229 -171.706 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 182' ' ' PRO . . . . . . . . . . . . . 86.2 Cg_endo -70.79 166.24 29.53 Favored 'Trans proline' 0 N--CA 1.458 -0.586 0 C-N-CA 121.699 1.599 . . . . 0.0 111.133 172.312 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 183' ' ' PHE . . . . . . . . . . . . . 78.0 m-85 -81.43 125.14 79.52 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.227 -176.41 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 184' ' ' PRO . . . . . . . . . . . . . 93.3 Cg_endo -76.32 -15.01 18.15 Favored 'Trans proline' 0 N--CA 1.458 -0.567 0 C-N-CA 121.603 1.535 . . . . 0.0 111.219 176.826 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 185' ' ' VAL . . . . . . . . . . . . . 95.7 t -69.93 127.68 32.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.198 -175.701 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 186' ' ' SER . . . . . . . . . . . . . 86.4 p -114.45 5.02 15.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.243 -176.632 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 187' ' ' HIS . . . . . . . . . . . . . 92.4 m-70 -119.95 140.54 50.76 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.225 -178.389 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 188' ' ' ASN . . . . . 0.495 ' N ' ' CD ' ' A' ' 189' ' ' PRO . 99.6 m-20 -69.43 -46.21 27.24 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.299 -0.409 . . . . 0.0 111.168 -178.51 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 189' ' ' PRO . . . . . 0.495 ' CD ' ' N ' ' A' ' 188' ' ' ASN . 53.3 Cg_exo -55.06 -37.89 93.73 Favored 'Trans proline' 0 N--CA 1.459 -0.537 0 C-N-CA 121.688 1.592 . . . . 0.0 111.178 176.655 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 190' ' ' SER . . . . . . . . . . . . . 71.4 m -71.66 -39.16 70.5 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.183 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 191' ' ' PHE . . . . . . . . . . . . . 6.7 m-85 -56.73 -45.7 81.8 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.195 174.481 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 192' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -63.42 -47.34 82.36 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.242 178.513 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 193' ' ' ARG . . . . . . . . . . . . . 95.1 mtt-85 -70.12 -19.97 63.2 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.216 -177.117 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 194' ' ' LEU . . . . . . . . . . . . . 56.2 tp -70.09 -60.62 2.18 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.202 -179.244 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 195' ' ' LEU . . . . . . . . . . . . . 84.2 mt -112.49 -40.68 4.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.236 -171.868 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 196' ' ' VAL . . . . . . . . . . . . . 74.0 t -72.86 -39.75 59.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.218 -167.146 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 197' ' ' GLU . . . . . . . . . . . . . 76.0 mm-40 -76.27 -28.23 56.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.187 179.396 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 198' ' ' THR . . . . . . . . . . . . . 81.8 p -88.8 -27.54 21.04 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.176 -171.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 199' ' ' ILE . . . . . . . . . . . . . 14.7 tt -70.37 -18.78 21.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.284 -0.417 . . . . 0.0 111.235 178.126 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 200' ' ' TYR . . . . . . . . . . . . . 68.1 m-85 -111.39 35.04 3.76 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.217 173.538 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 201' ' ' SER . . . . . . . . . . . . . 41.0 t . . . . . 0 C--O 1.2 -1.518 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.179 -178.11 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.622 0 N-CA-C 111.175 -0.77 . . . . 0.0 111.175 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 96.0 mt -88.85 -41.78 14.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.841 0.353 . . . . 0.0 111.238 -179.422 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 97.3 mt -62.98 -49.56 83.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.195 -178.433 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 87.4 tt0 -69.99 131.14 43.92 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.181 174.361 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 93.7 mt-10 -111.09 92.42 4.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.2 -172.139 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 85.9 mttt -94.62 154.92 17.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.238 168.713 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -128.39 137.63 51.97 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.14 -172.829 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 65.4 mt -103.01 147.6 26.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.234 170.365 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 1.6 t80 -120.02 93.0 3.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.209 172.794 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.413 HG23 ' HB ' ' A' ' 114' ' ' ILE . 64.4 t -94.0 115.32 32.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.159 -179.341 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 52.3 m -107.43 126.02 51.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.148 177.691 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 60.3 m -107.04 162.92 13.42 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.129 177.338 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -85.04 -171.63 48.44 Favored Glycine 0 CA--C 1.523 0.538 0 N-CA-C 111.267 -0.733 . . . . 0.0 111.267 -178.248 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -107.66 18.62 21.2 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.755 0.312 . . . . 0.0 111.192 179.507 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 40.4 p -124.99 -69.54 0.79 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.219 -174.359 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 82.4 t -58.64 130.16 85.09 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.144 -175.668 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 76.0 Cg_exo -51.17 130.49 32.32 Favored 'Trans proline' 0 N--CA 1.458 -0.596 0 C-N-CA 121.734 1.623 . . . . 0.0 111.125 178.456 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . 0.638 ' N ' ' CD ' ' A' ' 19' ' ' PRO . 10.8 m-30 -70.11 -35.98 5.68 Favored Pre-proline 0 C--N 1.33 -0.259 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.193 176.834 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . 0.638 ' CD ' ' N ' ' A' ' 18' ' ' PHE . 72.0 Cg_exo -53.86 -16.83 9.36 Favored 'Trans proline' 0 N--CA 1.458 -0.583 0 C-N-CA 121.695 1.597 . . . . 0.0 111.206 175.138 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -94.46 -31.55 13.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.218 173.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 94.5 mt -95.97 -62.64 1.25 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.288 -171.721 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 5.7 m -79.29 -15.92 13.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.184 -169.013 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 82.9 p -60.97 -28.98 69.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.166 174.485 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 71.8 m -87.97 -30.08 20.29 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.155 175.673 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 78.5 t -65.31 -26.6 39.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.211 171.564 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 86.2 mt -104.99 27.27 8.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.2 175.805 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 4.9 t -65.45 147.56 53.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.219 179.748 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 68.6 m-20 -68.55 -22.05 64.51 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.165 175.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -93.03 -35.39 13.28 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.24 178.551 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 91.5 t80 -58.53 -49.69 76.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.209 173.453 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 96.6 m -64.91 -33.01 75.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.198 -176.038 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 65.7 tt0 -63.16 -58.03 8.58 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.226 176.71 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 69.6 mm-40 -62.49 -33.65 75.3 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.173 177.615 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 37.8 tp -57.25 -48.35 79.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.183 179.308 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 94.0 mt -60.93 -38.42 79.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.196 176.527 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 99.5 mm-40 -66.94 -19.75 65.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.253 178.892 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 23.2 m-30 -87.32 -10.43 52.27 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.215 178.401 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 99.33 6.04 55.55 Favored Glycine 0 CA--C 1.523 0.577 0 N-CA-C 111.15 -0.78 . . . . 0.0 111.15 179.446 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 72.3 m-85 -98.15 123.8 42.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.863 0.363 . . . . 0.0 111.15 -176.258 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 35.7 m -132.89 -6.82 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.17 -178.858 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 94.5 mtt-85 -110.08 98.88 8.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.181 177.134 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.404 ' HB3' HG23 ' A' ' 93' ' ' VAL . 58.0 tp -101.12 106.84 18.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.228 -176.647 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 96.8 mt -96.38 132.26 41.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.181 175.89 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 78.0 mt -128.6 125.27 63.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.203 174.882 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 65.7 tt0 -94.35 120.77 35.09 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.175 178.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 42.5 m-85 -75.04 162.06 28.89 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.183 -179.271 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -93.8 178.56 37.9 Favored Glycine 0 CA--C 1.525 0.658 0 N-CA-C 111.144 -0.782 . . . . 0.0 111.144 179.857 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 79.8 ttt180 -68.87 -33.57 74.01 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.777 0.322 . . . . 0.0 111.191 -177.378 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 73.0 m-80 -100.86 17.17 22.86 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.157 -172.385 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 95.5 m-85 -129.62 139.98 51.29 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.211 -177.845 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 97.8 p -78.9 152.73 31.0 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.195 179.648 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 59.2 p -84.96 66.79 9.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.239 -173.028 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 19.8 pt-20 -150.04 145.54 26.45 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.145 -179.368 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 68.2 m-85 -116.45 26.35 9.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.151 169.756 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -51.22 -46.0 62.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.263 -171.726 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 83.5 t60 -63.56 -54.97 27.78 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.172 -176.215 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 90.1 mt -70.6 -38.31 73.98 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.173 -170.775 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 54.9 t -69.22 -44.46 80.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.171 -177.413 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 86.8 mt-30 -64.99 -33.75 76.79 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.218 175.04 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -66.24 -40.06 89.95 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.215 174.825 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 39.5 mmt180 -76.25 -21.38 56.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.202 -179.771 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 94.63 30.97 8.12 Favored Glycine 0 CA--C 1.523 0.574 0 N-CA-C 111.207 -0.757 . . . . 0.0 111.207 175.11 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -95.02 -165.01 35.34 Favored Glycine 0 CA--C 1.523 0.589 0 N-CA-C 111.19 -0.764 . . . . 0.0 111.19 178.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 61.4 tp60 -127.48 119.91 27.15 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.724 0.297 . . . . 0.0 111.232 -179.887 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 55.5 ptt85 -75.0 144.98 42.85 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.177 179.757 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 19.6 mm-40 -138.34 82.24 1.9 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.227 175.33 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 26.1 t -64.53 106.36 1.14 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.151 177.435 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 85.3 mm-40 -120.3 179.91 4.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.177 -173.69 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -121.75 90.24 3.27 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.274 179.837 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 28.5 mm -62.76 129.81 93.28 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.201 178.667 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 67.4 Cg_endo -77.6 146.38 24.1 Favored 'Trans proline' 0 N--CA 1.458 -0.588 0 C-N-CA 121.781 1.654 . . . . 0.0 111.192 -175.511 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 96.7 mt -86.84 -40.1 13.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.212 176.676 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 99.4 m-20 -71.69 -39.48 70.19 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.222 -178.317 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 88.8 mt-30 -88.77 -49.94 6.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.178 -172.541 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 74.0 t80 -91.19 -56.0 3.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.233 -177.174 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 119.61 28.25 1.97 Allowed Glycine 0 CA--C 1.523 0.591 0 N-CA-C 111.173 -0.771 . . . . 0.0 111.173 174.772 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 15.7 t -146.55 165.57 29.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.862 0.363 . . . . 0.0 111.158 175.435 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -72.42 171.44 49.28 Favored Glycine 0 CA--C 1.524 0.596 0 N-CA-C 111.23 -0.748 . . . . 0.0 111.23 -174.598 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 58.2 p-10 -94.14 12.01 28.03 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.774 0.321 . . . . 0.0 111.207 -172.382 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 82.6 p -84.56 -13.52 51.54 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.19 174.859 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -66.56 146.09 54.89 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.193 175.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 77.9 mtt85 -127.41 149.18 50.2 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.178 -174.831 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 79.2 mt-30 -104.73 150.14 25.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.169 178.15 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 97.0 m-85 -142.67 146.29 34.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.225 -179.779 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 99.2 t -113.25 118.62 58.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.214 -176.734 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 94.3 mt -119.73 164.11 16.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.253 175.585 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 88.8 mmm 62.35 29.94 17.34 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.193 173.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 96.4 m-20 64.7 34.95 9.24 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.207 174.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 98.12 -3.72 60.32 Favored Glycine 0 CA--C 1.523 0.591 0 N-CA-C 111.236 -0.746 . . . . 0.0 111.236 174.579 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -80.55 -25.48 38.58 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.869 0.366 . . . . 0.0 111.251 -177.882 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 62.6 tp -122.84 124.56 43.55 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.26 178.755 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -105.03 114.99 29.52 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.178 177.147 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . 0.404 HG23 ' HB3' ' A' ' 42' ' ' LEU . 58.5 t -110.26 121.36 62.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.175 -177.352 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 68.5 mt -124.89 128.86 73.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.224 -179.425 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -111.65 133.28 11.37 Favored Glycine 0 CA--C 1.523 0.562 0 N-CA-C 111.254 -0.738 . . . . 0.0 111.254 -177.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 99.0 m-85 -116.36 159.64 21.65 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.736 0.303 . . . . 0.0 111.243 -172.527 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 10.0 t0 -75.0 170.04 16.79 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.229 -175.42 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 89.4 t80 -82.92 118.07 23.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.197 -177.852 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 12.6 t -171.88 138.46 1.06 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.201 176.826 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 81.7 p -80.88 -14.66 57.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.211 174.498 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -84.56 -31.97 24.07 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.18 175.215 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 66.2 mtt -74.69 -44.83 48.16 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.155 179.284 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' GLN . . . . . 0.478 ' HA ' ' HB ' ' A' ' 106' ' ' ILE . 20.6 pt20 -69.92 -19.89 63.37 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.234 -172.711 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 60.6 p -66.8 -20.69 65.99 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.161 177.558 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 95.1 mt -104.17 -38.75 5.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.219 175.332 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . 0.478 ' HB ' ' HA ' ' A' ' 103' ' ' GLN . 94.9 mt -56.17 -35.3 41.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.219 177.203 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . 0.415 ' HB2' HD11 ' A' ' 128' ' ' LEU . 35.9 ptt180 -62.64 -20.08 64.44 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.136 -178.639 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 97.2 m-20 -77.46 -8.95 58.55 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.176 -178.793 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' TYR . . . . . . . . . . . . . 59.0 m-85 -110.13 40.88 1.84 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.123 179.803 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 87.4 p -143.11 154.99 44.49 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.163 -174.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 55.8 m-20 -113.6 -32.77 6.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.169 176.549 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . 0.443 ' C ' HD21 ' A' ' 112' ' ' LEU . 10.5 tt -135.38 133.41 38.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.198 177.373 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 95.9 t -104.87 133.12 49.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.205 -170.501 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 114' ' ' ILE . . . . . 0.413 ' HB ' HG23 ' A' ' 10' ' ' VAL . 89.6 mt -124.47 135.21 64.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.261 -177.362 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 36.9 t -123.79 141.54 51.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.199 -178.311 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 97.9 m-70 -107.04 83.8 1.88 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.152 167.846 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . 55.04 53.86 9.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.202 -177.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -137.21 150.53 20.71 Favored Glycine 0 CA--C 1.523 0.568 0 N-CA-C 111.219 -0.753 . . . . 0.0 111.219 175.141 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 82.2 p -106.2 -26.95 11.35 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.79 0.328 . . . . 0.0 111.213 -171.07 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -64.88 -39.01 96.23 Favored Glycine 0 CA--C 1.523 0.563 0 N-CA-C 111.19 -0.764 . . . . 0.0 111.19 176.308 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 48.5 t -65.33 -39.53 92.52 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.791 0.329 . . . . 0.0 111.175 176.463 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 122' ' ' ILE . . . . . . . . . . . . . 93.7 mt -60.64 -44.99 98.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.224 176.691 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 56.7 tp -59.18 -43.17 92.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.208 177.301 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 97.6 m-20 -59.47 -45.14 92.5 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.12 177.235 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 22.7 t -60.15 -41.98 93.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.251 -179.812 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 96.2 mt -74.21 -31.57 62.67 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.167 -176.786 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -72.74 -30.09 63.88 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.237 175.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . 0.415 HD11 ' HB2' ' A' ' 107' ' ' ARG . 96.0 mt -83.79 -17.68 40.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.221 175.285 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 79.0 m-20 65.22 36.06 7.34 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.172 -174.905 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 41.2 mmtm -111.56 159.98 31.17 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.236 -178.104 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 68.4 Cg_exo -57.52 145.23 89.74 Favored 'Trans proline' 0 N--CA 1.458 -0.564 0 C-N-CA 121.724 1.616 . . . . 0.0 111.141 -176.388 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 49.0 tp -120.72 119.7 33.53 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.176 -175.848 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 85.4 mt -120.35 127.66 75.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.233 177.587 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 96.8 t -114.92 126.07 72.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.239 177.524 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 135' ' ' CYS . . . . . . . . . . . . . 53.9 t -119.12 125.29 48.92 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.257 -179.484 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 32.8 m -86.33 171.96 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.22 -170.445 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 18.7 p-10 -92.49 179.95 5.37 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.245 -174.404 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 96.3 m-20 -76.95 -14.68 59.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.232 -167.281 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 86.7 p -68.01 -18.69 64.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.201 -176.37 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 90.3 mt -99.91 149.75 23.1 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.254 177.869 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 141' ' ' MET . . . . . . . . . . . . . 91.8 mmm -94.94 -145.06 0.26 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.261 -176.745 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 64.6 m-20 -96.76 -39.73 9.31 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.201 -177.722 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 99.0 m-20 -65.88 -32.2 73.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.149 173.912 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 144' ' ' HIS . . . . . . . . . . . . . 37.0 m170 -63.59 -47.51 81.16 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.172 174.201 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 145' ' ' GLN . . . . . . . . . . . . . 23.5 tm0? -68.62 -30.9 69.72 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.235 -178.811 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 146' ' ' GLN . . . . . . . . . . . . . 71.7 tp60 -64.64 -47.79 77.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.182 177.061 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 147' ' ' GLN . . . . . . . . . . . . . 87.8 mt-30 -64.85 -35.23 80.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.196 178.839 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 148' ' ' ILE . . . . . . . . . . . . . 92.3 mt -65.38 -46.67 89.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.227 175.196 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -63.24 -36.56 84.06 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.164 179.468 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 96.2 m-20 -56.99 -32.2 65.86 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.196 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 151' ' ' LYS . . . . . . . . . . . . . 59.6 mmtt -95.38 -29.94 14.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.176 -175.829 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 152' ' ' PHE . . . . . . . . . . . . . 7.1 m-30 -68.07 -27.56 66.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.145 174.883 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 153' ' ' VAL . . . . . . . . . . . . . 53.5 t -70.72 -39.41 75.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.161 171.198 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 92.5 mt-10 -62.79 -35.26 79.27 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.202 174.763 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 155' ' ' LEU . . . . . . . . . . . . . 84.7 mt -64.98 -49.96 68.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.133 173.289 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . 80.05 19.33 70.11 Favored Glycine 0 CA--C 1.523 0.591 0 N-CA-C 111.176 -0.769 . . . . 0.0 111.176 168.146 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 157' ' ' TYR . . . . . . . . . . . . . 26.2 p90 -140.07 9.59 2.34 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.784 0.326 . . . . 0.0 111.2 176.284 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 158' ' ' VAL . . . . . . . . . . . . . 7.6 p -147.81 135.0 13.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.254 -176.537 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 159' ' ' TRP . . . . . . . . . . . . . 91.7 m95 -98.14 150.12 21.79 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.22 176.719 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 160' ' ' SER . . . . . . . . . . . . . 31.2 t -111.59 126.61 55.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.22 176.904 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 161' ' ' CYS . . . . . 0.417 ' SG ' ' HA3' ' A' ' 171' ' ' GLY . 91.2 m -115.18 145.01 42.82 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.212 177.327 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -75.26 158.43 83.88 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.229 177.669 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 163' ' ' PRO . . . . . . . . . . . . . 88.7 Cg_endo -78.99 61.35 8.13 Favored 'Trans proline' 0 N--CA 1.458 -0.581 0 C-N-CA 121.694 1.596 . . . . 0.0 111.226 -178.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 164' ' ' THR . . . . . . . . . . . . . 28.0 p -133.29 -175.36 3.78 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.18 177.278 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 165' ' ' GLU . . . . . . . . . . . . . 89.2 mt-10 -87.59 7.92 27.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.172 173.004 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 166' ' ' THR . . . . . . . . . . . . . 82.0 p -125.55 -19.62 4.94 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.235 -178.75 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 167' ' ' GLY . . . . . . . . . . . . . . . -62.84 -47.73 86.64 Favored Glycine 0 CA--C 1.523 0.541 0 N-CA-C 111.172 -0.771 . . . . 0.0 111.172 -177.767 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 168' ' ' LEU . . . . . . . . . . . . . 25.0 tp -67.26 -32.54 73.61 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.744 0.307 . . . . 0.0 111.206 -179.599 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 96.3 mt -61.08 -44.37 98.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.262 174.24 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 170' ' ' ALA . . . . . . . . . . . . . . . -61.97 -37.69 85.71 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.271 177.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 171' ' ' GLY . . . . . 0.417 ' HA3' ' SG ' ' A' ' 161' ' ' CYS . . . -63.97 -41.23 98.71 Favored Glycine 0 CA--C 1.524 0.607 0 N-CA-C 111.162 -0.775 . . . . 0.0 111.162 178.353 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 83.1 mt -63.78 -35.39 80.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.789 0.328 . . . . 0.0 111.187 178.667 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 173' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -70.0 -37.78 75.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.193 173.817 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -64.94 -36.04 83.11 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.2 -178.453 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 52.3 p -64.99 -21.49 66.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.184 179.89 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 176' ' ' GLN . . . . . . . . . . . . . 93.3 mm-40 -100.74 -25.84 13.99 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.239 -178.581 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 177' ' ' THR . . . . . . . . . . . . . 99.4 m -71.95 -46.02 59.01 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.2 179.143 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 178' ' ' GLU . . . . . . . . . . . . . 94.0 mt-10 -127.42 159.9 33.07 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.181 -177.544 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 179' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -94.91 159.85 14.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.167 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 180' ' ' LEU . . . . . . . . . . . . . 96.2 mt -113.72 155.06 26.26 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.223 179.705 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 181' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -97.86 155.48 37.06 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.139 179.551 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 182' ' ' PRO . . . . . . . . . . . . . 57.7 Cg_endo -69.81 158.07 58.14 Favored 'Trans proline' 0 N--CA 1.457 -0.637 0 C-N-CA 121.674 1.583 . . . . 0.0 111.213 178.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 183' ' ' PHE . . . . . . . . . . . . . 20.5 t80 -138.82 89.36 13.1 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.213 178.538 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 184' ' ' PRO . . . . . . . . . . . . . 69.4 Cg_exo -60.47 -32.49 93.78 Favored 'Trans proline' 0 N--CA 1.458 -0.588 0 C-N-CA 121.66 1.573 . . . . 0.0 111.235 -172.621 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 185' ' ' VAL . . . . . . . . . . . . . 87.3 t -61.24 119.77 5.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.148 -176.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 186' ' ' SER . . . . . . . . . . . . . 54.3 m -127.17 29.66 5.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.181 -169.459 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 187' ' ' HIS . . . . . . . . . . . . . 96.1 m-70 -90.05 152.55 21.11 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.198 -178.287 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 188' ' ' ASN . . . . . 0.522 ' N ' ' HD2' ' A' ' 189' ' ' PRO . 98.9 m-20 -64.39 -51.72 58.57 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.196 -177.365 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 189' ' ' PRO . . . . . 0.522 ' HD2' ' N ' ' A' ' 188' ' ' ASN . 60.2 Cg_endo -73.29 -20.2 21.47 Favored 'Trans proline' 0 N--CA 1.457 -0.637 0 C-N-CA 121.715 1.61 . . . . 0.0 111.206 -175.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 190' ' ' SER . . . . . . . . . . . . . 67.2 p -71.05 -20.11 62.41 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.299 177.331 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 191' ' ' PHE . . . . . . . . . . . . . 30.5 m-85 -89.94 -44.52 9.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.196 173.245 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 192' ' ' GLU . . . . . . . . . . . . . 88.3 tt0 -54.97 -42.52 72.49 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.218 179.351 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 193' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -74.93 -18.48 60.39 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.231 -174.52 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 194' ' ' LEU . . . . . . . . . . . . . 90.8 mt -103.63 -17.57 15.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.188 179.329 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 195' ' ' LEU . . . . . . . . . . . . . 23.3 tp -110.06 -60.03 1.85 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.184 -174.841 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 196' ' ' VAL . . . . . . . . . . . . . 68.8 t -73.53 -42.8 55.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.173 -172.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 197' ' ' GLU . . . . . . . . . . . . . 95.1 mt-10 -66.13 -29.96 70.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.23 178.22 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 198' ' ' THR . . . . . . . . . . . . . 93.0 m -76.94 -49.62 15.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.204 177.786 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 199' ' ' ILE . . . . . . . . . . . . . 92.8 mt -71.07 -42.08 76.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.138 -174.832 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 200' ' ' TYR . . . . . . . . . . . . . 79.4 m-85 -114.99 44.85 1.71 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.137 -177.247 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 201' ' ' SER . . . . . . . . . . . . . 42.5 t . . . . . 0 C--O 1.2 -1.537 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.241 177.756 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.621 0 N-CA-C 111.193 -0.763 . . . . 0.0 111.193 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 44.1 pt -114.97 15.45 8.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-O 120.789 0.328 . . . . 0.0 111.192 -179.596 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 97.1 mt -66.45 -54.66 23.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.195 177.436 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 88.2 tt0 -75.91 121.29 22.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.227 170.213 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 95.5 mt-10 -108.25 82.21 1.6 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.185 -173.879 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.472 ' HB2' ' HA ' ' A' ' 39' ' ' PHE . 97.0 mttt -69.27 148.64 49.49 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.193 174.465 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -114.21 130.1 56.63 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.178 -168.642 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 93.2 mt -89.65 145.36 25.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.164 167.158 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 1.2 t80 -120.1 91.29 3.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.173 171.778 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 85.4 t -97.24 129.74 46.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.166 -174.061 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 47.1 p -117.45 160.01 21.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.236 173.137 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 77.3 m -127.38 154.58 44.82 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.188 -175.878 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -132.59 -158.68 8.98 Favored Glycine 0 CA--C 1.523 0.589 0 N-CA-C 111.198 -0.761 . . . . 0.0 111.198 -179.593 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -94.78 -36.14 11.81 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.768 0.318 . . . . 0.0 111.198 -173.82 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 94.1 m -59.91 -54.79 41.96 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.233 -172.155 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.435 ' HA ' ' HD3' ' A' ' 17' ' ' PRO . 67.5 t -91.83 128.97 43.86 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.169 177.751 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.435 ' HD3' ' HA ' ' A' ' 16' ' ' VAL . 83.4 Cg_exo -52.53 137.14 57.87 Favored 'Trans proline' 0 N--CA 1.459 -0.547 0 C-N-CA 121.69 1.593 . . . . 0.0 111.139 -178.807 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . 0.548 ' HB3' ' HD3' ' A' ' 19' ' ' PRO . 86.4 t80 -61.87 -44.4 90.28 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.218 -178.311 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . 0.548 ' HD3' ' HB3' ' A' ' 18' ' ' PHE . 71.7 Cg_exo -53.55 -39.85 81.14 Favored 'Trans proline' 0 N--CA 1.458 -0.577 0 C-N-CA 121.68 1.587 . . . . 0.0 111.167 178.894 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -72.41 -40.26 67.31 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.182 -179.645 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 80.8 mt -59.33 -42.95 92.65 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.174 179.671 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 72.4 t -75.7 -38.27 37.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.19 -179.818 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 45.7 t -59.65 -39.91 85.95 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.27 179.812 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 60.8 m -68.5 -45.03 73.39 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.167 -176.088 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 33.7 m -73.88 -19.09 17.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.212 -178.144 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 69.7 mt -105.09 15.55 27.38 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.205 176.21 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 54.6 p -73.93 154.22 39.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.183 -178.415 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 99.8 m-20 -65.6 -35.17 80.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.144 178.85 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 78.0 mm-40 -74.3 -42.7 59.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.183 -176.182 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 84.1 t80 -68.35 -47.5 67.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.176 -179.636 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.404 ' HA ' ' HB3' ' A' ' 34' ' ' LEU . 95.0 m -66.38 -30.37 70.74 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.167 -177.468 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 66.9 tt0 -53.08 -50.23 64.8 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.198 -178.411 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 94.8 mt-10 -85.94 -27.86 24.66 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.252 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.418 ' HG ' ' HB2' ' A' ' 39' ' ' PHE . 47.8 tp -54.93 -45.02 74.75 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.159 -179.224 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 41.5 pt -78.36 -10.67 13.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.222 -177.727 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 65.0 mt-30 -91.04 -19.74 22.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.211 174.823 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 42.5 m-85 -78.7 -25.9 44.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.167 172.024 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 117.78 14.66 6.64 Favored Glycine 0 CA--C 1.523 0.54 0 N-CA-C 111.217 -0.753 . . . . 0.0 111.217 175.775 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.472 ' HA ' ' HB2' ' A' ' 6' ' ' LYS . 71.5 m-85 -93.31 129.77 39.29 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.759 0.314 . . . . 0.0 111.199 -179.678 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.523 ' O ' HG12 ' A' ' 40' ' ' VAL . 70.3 t -136.94 -10.08 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.2 -177.685 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 78.0 mtm180 -115.13 132.43 56.61 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.212 177.018 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 40.5 tp -128.72 109.73 11.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.224 179.506 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.4 ' HA ' ' O ' ' A' ' 94' ' ' ILE . 4.5 mp -100.58 117.4 45.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.185 -179.027 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 69.8 mt -116.69 126.0 73.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.173 -174.627 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 12.1 tp-100 -86.91 120.04 27.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.216 176.259 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 54.0 p90 -159.29 169.35 24.24 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.161 176.245 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -75.7 -176.54 40.11 Favored Glycine 0 CA--C 1.524 0.594 0 N-CA-C 111.194 -0.762 . . . . 0.0 111.194 -171.215 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 79.1 ttt180 -84.96 -70.02 0.61 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.739 0.304 . . . . 0.0 111.267 -174.062 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 72.9 m-80 -112.31 14.65 20.47 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.176 -176.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 82.1 m-85 -119.65 -5.05 10.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.17 -176.596 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 13.1 m -136.19 9.95 3.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.225 -176.882 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 75.2 m -72.75 70.01 0.94 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.176 177.699 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 74.7 mm-40 -97.46 3.07 50.92 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.228 179.51 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 65.6 m-85 -75.04 -13.02 60.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.22 -177.134 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 25.2 pt-20 -72.69 -9.63 58.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.177 171.199 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 98.3 m-70 -116.72 -13.76 10.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.213 177.012 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 89.2 mt -112.01 -21.41 11.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.205 -174.026 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 95.6 t -115.39 -52.83 4.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.204 177.513 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 33.4 tt0 -62.15 -43.06 99.67 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.215 -177.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 94.5 mt-10 -74.9 -29.34 60.96 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.198 176.44 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 53.8 tpt85 -63.21 -30.91 71.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.215 175.847 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 110.66 17.63 9.04 Favored Glycine 0 CA--C 1.523 0.534 0 N-CA-C 111.203 -0.759 . . . . 0.0 111.203 176.549 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -94.99 -169.14 36.46 Favored Glycine 0 CA--C 1.523 0.577 0 N-CA-C 111.191 -0.763 . . . . 0.0 111.191 179.094 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . 0.41 ' HB2' ' HB ' ' A' ' 85' ' ' VAL . 96.2 mm-40 -114.97 169.77 8.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.735 0.302 . . . . 0.0 111.184 177.567 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -162.0 144.8 11.7 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.216 -176.606 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 38.0 tt0 -168.77 144.85 3.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.135 -179.723 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 38.0 t -79.51 136.44 36.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.192 176.162 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 91.4 mm-40 -126.88 151.71 48.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.249 -175.168 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . 0.432 ' HA ' ' HA ' ' A' ' 79' ' ' ASP . 98.7 mttt -119.06 105.0 10.98 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.178 172.87 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.467 ' HA ' ' HD3' ' A' ' 71' ' ' PRO . 72.3 mt -112.55 132.48 22.18 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.224 -170.099 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . 0.467 ' HD3' ' HA ' ' A' ' 70' ' ' ILE . 53.9 Cg_exo -55.07 127.16 25.12 Favored 'Trans proline' 0 N--CA 1.458 -0.61 0 C-N-CA 121.702 1.601 . . . . 0.0 111.191 177.483 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 92.9 mt -70.32 -40.68 78.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.166 175.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 99.6 m-20 -69.88 -21.92 63.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.216 -173.094 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 98.8 mm-40 -99.97 -39.85 7.94 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.15 -174.555 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 92.4 m-85 -118.04 -40.22 3.0 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.211 -173.291 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 108.47 -4.96 33.08 Favored Glycine 0 CA--C 1.524 0.621 0 N-CA-C 111.179 -0.769 . . . . 0.0 111.179 179.682 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 79.2 m -87.72 157.43 19.07 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.809 0.337 . . . . 0.0 111.145 173.715 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -95.09 -165.24 35.31 Favored Glycine 0 CA--C 1.523 0.583 0 N-CA-C 111.216 -0.753 . . . . 0.0 111.216 -175.495 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . 0.432 ' HA ' ' HA ' ' A' ' 69' ' ' LYS . 55.1 p-10 -100.5 10.48 41.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.829 0.347 . . . . 0.0 111.225 -178.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 58.7 p -117.99 32.28 6.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.216 175.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -72.67 136.78 45.7 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.21 -175.503 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 32.7 mmm-85 -110.02 102.3 11.04 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.263 176.826 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 32.8 tt0 -88.97 134.17 34.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.201 -173.317 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . 0.491 ' HB2' ' HB ' ' A' ' 93' ' ' VAL . 40.2 m-85 -132.95 141.41 48.32 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.188 173.721 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . 0.41 ' HB ' ' HB2' ' A' ' 64' ' ' GLN . 68.8 t -116.95 114.06 44.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.208 -173.473 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 87.2 mt -129.49 172.27 11.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.194 177.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 95.6 mmm 60.36 30.11 19.55 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.173 177.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 96.4 m-20 64.91 32.08 10.96 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.203 178.532 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 95.05 -2.33 65.91 Favored Glycine 0 CA--C 1.522 0.53 0 N-CA-C 111.218 -0.753 . . . . 0.0 111.218 177.112 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 99.7 mttt -81.28 -16.95 51.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.777 0.322 . . . . 0.0 111.203 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 62.1 tp -118.37 109.28 16.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.175 174.386 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 96.5 mttt -101.18 102.61 13.56 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.249 178.874 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . 0.491 ' HB ' ' HB2' ' A' ' 84' ' ' TYR . 60.2 t -97.55 128.45 48.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.177 -175.806 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . 0.4 ' O ' ' HA ' ' A' ' 43' ' ' ILE . 71.8 mt -124.52 121.58 61.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.179 177.405 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -100.16 146.97 17.95 Favored Glycine 0 CA--C 1.524 0.622 0 N-CA-C 111.172 -0.771 . . . . 0.0 111.172 -179.039 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 80.3 m-85 -133.25 148.42 51.98 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.825 0.345 . . . . 0.0 111.202 173.457 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 64.4 t0 -111.21 80.44 1.31 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.204 163.283 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 7.9 m-30 -110.08 139.73 44.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.135 -168.549 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 86.8 p -79.52 170.0 17.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.177 165.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 97.6 m -47.42 -45.07 25.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.227 -174.618 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -66.19 -32.48 73.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.199 -178.397 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 96.7 mmm -85.73 -12.36 51.3 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.195 -177.789 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 80.4 mt-30 -84.38 -14.9 48.18 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.223 178.726 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 87.2 p -68.25 -19.4 64.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.235 -176.892 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 48.0 pt -94.19 -7.99 9.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.233 -177.476 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 46.3 pt -115.6 0.02 8.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.258 175.131 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 70.5 mtt180 -67.92 -42.51 80.95 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.238 167.825 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 57.4 p-10 -89.43 4.82 47.83 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.223 178.564 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' TYR . . . . . . . . . . . . . 41.5 t80 -101.55 40.0 1.37 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.252 175.128 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 87.3 p -145.78 155.04 42.68 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.148 -171.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 55.4 m-20 -120.0 -35.03 3.57 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.215 172.011 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 53.3 tp -131.62 119.93 22.13 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.172 175.764 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 96.9 t -96.39 130.83 44.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.184 -176.425 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 76.2 mt -121.6 102.62 12.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.151 179.279 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 63.0 m -109.92 135.82 50.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.12 -166.052 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 65.8 t-80 -69.98 140.04 52.89 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.205 173.161 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . 0.425 ' HA ' HD12 ' A' ' 122' ' ' ILE . . . -54.15 133.43 44.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.197 178.736 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 85.06 37.51 9.96 Favored Glycine 0 CA--C 1.524 0.611 0 N-CA-C 111.161 -0.776 . . . . 0.0 111.161 174.262 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 70.5 p -126.49 169.79 12.67 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.794 0.331 . . . . 0.0 111.217 175.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -84.87 -18.99 60.3 Favored Glycine 0 CA--C 1.524 0.6 0 N-CA-C 111.189 -0.764 . . . . 0.0 111.189 175.687 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 85.0 p -65.88 -24.8 66.93 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.77 0.319 . . . . 0.0 111.138 178.744 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 122' ' ' ILE . . . . . 0.425 HD12 ' HA ' ' A' ' 117' ' ' ALA . 83.8 mt -60.01 -40.02 81.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.239 171.539 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 79.4 mt -85.93 -19.08 31.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.188 -177.216 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 80.3 m-20 -67.71 -48.9 65.22 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.224 177.386 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 8.5 t -57.96 -34.2 69.67 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.154 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 97.4 mt -63.19 -43.26 98.7 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.227 174.705 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 89.9 mtm180 -72.91 -21.35 60.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.133 178.339 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 90.9 mt -84.78 -14.58 47.73 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.177 176.692 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 55.5 t30 60.83 36.39 19.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.19 -173.216 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -113.97 148.39 39.84 Favored Pre-proline 0 C--N 1.328 -0.364 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.152 -178.269 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 75.8 Cg_exo -53.17 138.7 63.4 Favored 'Trans proline' 0 N--CA 1.458 -0.576 0 C-N-CA 121.675 1.583 . . . . 0.0 111.174 179.663 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 132' ' ' LEU . . . . . 0.457 ' HB3' HG23 ' A' ' 158' ' ' VAL . 61.2 tp -132.13 120.07 21.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.194 -172.532 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 81.5 mt -97.69 120.11 46.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.195 166.709 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 88.6 t -99.58 113.23 34.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.161 -178.549 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 135' ' ' CYS . . . . . . . . . . . . . 87.5 m -86.3 105.0 16.35 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.163 -179.182 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 34.3 m -100.09 172.66 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.251 -175.66 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 54.6 t-20 -51.7 126.2 17.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.213 -178.814 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 55.3 p-10 -80.25 1.0 30.24 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.19 -172.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 82.4 p -80.41 -12.02 59.62 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.211 171.892 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 96.0 mt -72.97 141.34 47.77 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.25 178.463 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 141' ' ' MET . . . . . . . . . . . . . 99.0 mtp -74.96 168.67 19.49 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.202 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 99.5 m-20 -56.54 -40.09 74.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.177 178.344 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 99.5 m-20 -68.5 -35.33 77.34 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.286 177.696 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 144' ' ' HIS . . . . . . . . . . . . . 50.5 m170 -65.4 -44.27 88.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.211 177.847 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 145' ' ' GLN . . . . . . . . . . . . . 74.0 mt-30 -70.91 -36.05 72.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.222 -177.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 146' ' ' GLN . . . . . . . . . . . . . 73.7 tp60 -69.75 -39.87 76.47 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.167 177.497 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 147' ' ' GLN . . . . . . . . . . . . . 72.2 tp60 -61.39 -39.92 92.47 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.183 179.497 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 148' ' ' ILE . . . . . . . . . . . . . 97.3 mt -66.09 -45.05 91.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.107 174.809 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -64.13 -32.95 74.7 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.193 -179.16 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 87.9 m-20 -56.3 -33.51 65.61 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.16 -176.358 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 151' ' ' LYS . . . . . . . . . . . . . 44.2 mmtt -84.73 -30.0 25.08 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.22 177.644 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 152' ' ' PHE . . . . . . . . . . . . . 6.9 m-30 -69.99 -22.02 63.17 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.192 175.374 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 153' ' ' VAL . . . . . . . . . . . . . 43.5 t -63.33 -30.1 48.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.261 173.863 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -65.71 -21.31 66.52 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.205 176.91 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 155' ' ' LEU . . . . . . . . . . . . . 50.8 mt -75.02 -28.76 60.61 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.138 178.685 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . 109.23 -26.03 16.34 Favored Glycine 0 CA--C 1.522 0.523 0 N-CA-C 111.231 -0.748 . . . . 0.0 111.231 167.522 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 157' ' ' TYR . . . . . 0.404 ' HA ' HD23 ' A' ' 180' ' ' LEU . 37.9 p90 -149.9 24.75 0.84 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.772 0.32 . . . . 0.0 111.211 -171.233 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 158' ' ' VAL . . . . . 0.457 HG23 ' HB3' ' A' ' 132' ' ' LEU . 45.5 t -126.46 129.91 71.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.204 -176.358 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 159' ' ' TRP . . . . . . . . . . . . . 90.8 m95 -130.51 140.36 50.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.207 178.13 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 160' ' ' SER . . . . . . . . . . . . . 28.8 t -104.77 142.06 35.39 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.166 178.706 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 161' ' ' CYS . . . . . . . . . . . . . 29.7 p -164.99 165.06 20.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.182 175.396 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -75.57 137.87 70.7 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.182 170.857 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 163' ' ' PRO . . . . . . . . . . . . . 94.7 Cg_endo -76.4 69.93 6.41 Favored 'Trans proline' 0 N--CA 1.458 -0.597 0 C-N-CA 121.708 1.605 . . . . 0.0 111.223 178.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 164' ' ' THR . . . . . . . . . . . . . 24.3 p -120.62 -174.18 2.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.203 179.844 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 165' ' ' GLU . . . . . . . . . . . . . 25.2 pt-20 -70.01 -9.94 56.95 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.216 177.064 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 166' ' ' THR . . . . . . . . . . . . . 74.0 p -114.79 -42.15 3.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.238 -178.519 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 167' ' ' GLY . . . . . . . . . . . . . . . -76.31 -40.66 28.04 Favored Glycine 0 CA--C 1.524 0.594 0 N-CA-C 111.226 -0.75 . . . . 0.0 111.226 -173.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 168' ' ' LEU . . . . . . . . . . . . . 62.6 tp -64.03 -50.49 68.24 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.799 0.333 . . . . 0.0 111.203 -178.049 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 10.1 tp -66.55 -29.67 47.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.293 179.684 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 170' ' ' ALA . . . . . . . . . . . . . . . -65.41 -37.23 86.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.175 173.662 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 171' ' ' GLY . . . . . . . . . . . . . . . -65.01 -43.4 95.92 Favored Glycine 0 CA--C 1.523 0.585 0 N-CA-C 111.219 -0.752 . . . . 0.0 111.219 175.063 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 56.8 tp -60.38 -42.83 96.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.79 0.328 . . . . 0.0 111.186 176.434 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 173' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -62.14 -41.21 98.04 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.187 173.92 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -70.74 -25.04 62.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.163 -175.399 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 54.6 p -90.0 -34.3 16.04 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.183 -179.102 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 176' ' ' GLN . . . . . . . . . . . . . 93.7 mm-40 -102.11 -52.28 3.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.197 -171.539 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 177' ' ' THR . . . . . . . . . . . . . 85.4 m -73.99 -45.2 51.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.194 -176.712 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 178' ' ' GLU . . . . . . . . . . . . . 78.5 mm-40 -80.03 134.02 36.19 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.176 175.515 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 179' ' ' LYS . . . . . . . . . . . . . 88.6 tttt -67.11 130.09 42.0 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.208 -175.75 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 180' ' ' LEU . . . . . 0.404 HD23 ' HA ' ' A' ' 157' ' ' TYR . 58.0 mt -102.21 154.99 18.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.22 174.518 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 181' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -130.88 148.55 70.65 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.258 178.53 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 182' ' ' PRO . . . . . . . . . . . . . 60.5 Cg_endo -72.48 153.74 55.28 Favored 'Trans proline' 0 N--CA 1.458 -0.57 0 C-N-CA 121.699 1.599 . . . . 0.0 111.223 -179.289 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 183' ' ' PHE . . . . . . . . . . . . . 12.9 t80 -60.3 120.68 53.71 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.212 179.021 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 184' ' ' PRO . . . . . . . . . . . . . 96.2 Cg_exo -55.17 -38.5 93.55 Favored 'Trans proline' 0 N--CA 1.459 -0.556 0 C-N-CA 121.7 1.6 . . . . 0.0 111.228 -170.878 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 185' ' ' VAL . . . . . . . . . . . . . 93.2 t -70.47 117.16 13.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.163 -174.138 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 186' ' ' SER . . . . . . . . . . . . . 94.8 p -91.96 -9.11 44.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.199 -176.857 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 187' ' ' HIS . . . . . . . . . . . . . 96.7 m-70 -67.64 138.81 56.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.234 179.762 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 188' ' ' ASN . . . . . 0.475 ' N ' ' HD2' ' A' ' 189' ' ' PRO . 98.4 m-20 -68.91 -49.39 26.57 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.216 -170.119 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 189' ' ' PRO . . . . . 0.475 ' HD2' ' N ' ' A' ' 188' ' ' ASN . 93.9 Cg_endo -80.22 -19.32 9.32 Favored 'Trans proline' 0 N--CA 1.458 -0.56 0 C-N-CA 121.677 1.585 . . . . 0.0 111.199 -173.787 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 190' ' ' SER . . . . . . . . . . . . . 53.7 m -90.16 -29.52 18.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.161 177.143 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 191' ' ' PHE . . . . . . . . . . . . . 89.1 t80 -55.1 -58.61 6.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.207 176.438 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 192' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -67.22 -46.45 73.78 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.244 -178.39 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 193' ' ' ARG . . . . . . . . . . . . . 79.4 ttt180 -56.32 -58.22 8.9 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.191 -176.065 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 194' ' ' LEU . . . . . . . . . . . . . 97.9 mt -64.42 -35.13 79.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.219 -171.368 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 195' ' ' LEU . . . . . . . . . . . . . 80.2 mt -62.9 -44.91 94.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.257 177.371 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 196' ' ' VAL . . . . . . . . . . . . . 70.2 t -68.87 -42.66 82.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.194 -179.093 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 197' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -67.76 -39.52 84.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.168 -177.565 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 198' ' ' THR . . . . . . . . . . . . . 64.3 m -70.27 -46.32 64.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.241 -177.794 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 199' ' ' ILE . . . . . . . . . . . . . 13.0 tt -69.98 -24.4 26.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.162 -179.489 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 200' ' ' TYR . . . . . . . . . . . . . 92.8 t80 -69.32 -50.04 50.17 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.193 173.405 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 201' ' ' SER . . . . . . . . . . . . . 43.0 t . . . . . 0 C--O 1.199 -1.553 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.186 179.281 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.539 0 N-CA-C 111.202 -0.759 . . . . 0.0 111.202 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 45.3 pt -114.95 13.96 8.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.769 0.318 . . . . 0.0 111.23 179.634 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 96.6 mt -104.51 -54.99 6.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.201 178.694 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 44.6 tt0 -68.27 132.93 47.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.257 175.61 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -61.08 107.4 0.73 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.249 177.638 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 75.3 mmtt -90.43 160.75 15.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.209 -171.283 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -125.73 140.82 52.37 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.243 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 39.4 tp -113.98 119.01 35.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.196 -179.872 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 69.6 t80 -89.87 121.18 31.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.24 177.499 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 73.3 t -120.42 124.65 72.97 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.27 178.66 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' THR . . . . . 0.426 ' HA ' ' HB3' ' A' ' 45' ' ' GLN . 77.1 m -93.6 129.31 39.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.209 174.464 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 80.7 m -115.03 113.71 24.43 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.159 170.275 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -91.26 -177.27 43.31 Favored Glycine 0 CA--C 1.524 0.632 0 N-CA-C 111.2 -0.76 . . . . 0.0 111.2 -171.371 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -85.47 52.84 2.56 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.779 0.323 . . . . 0.0 111.176 -174.348 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 37.5 p -129.96 -83.75 0.55 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.197 176.916 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 95.7 t -71.83 128.75 89.1 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.261 -174.454 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 76.0 Cg_exo -50.1 132.47 33.24 Favored 'Trans proline' 0 N--CA 1.458 -0.589 0 C-N-CA 121.757 1.638 . . . . 0.0 111.201 177.505 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . 0.605 ' N ' ' CD ' ' A' ' 19' ' ' PRO . 9.8 m-30 -67.56 -38.7 16.14 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.152 -176.896 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . 0.605 ' CD ' ' N ' ' A' ' 18' ' ' PHE . 57.5 Cg_exo -53.4 -22.76 21.97 Favored 'Trans proline' 0 N--CA 1.459 -0.534 0 C-N-CA 121.639 1.559 . . . . 0.0 111.203 174.257 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -97.86 -43.58 7.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.198 174.709 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 67.2 tp -77.46 -59.29 2.84 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.213 -174.483 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 73.7 t -61.63 -32.05 52.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.265 -176.891 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 94.9 p -63.05 -26.58 68.91 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.21 -179.207 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 98.4 m -85.01 -23.55 28.61 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.226 175.66 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 68.8 t -74.15 -29.14 24.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.163 170.673 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 91.7 mt -91.95 -2.38 56.8 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.201 -178.526 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 66.3 p -65.13 157.54 28.36 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.248 -173.209 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 99.6 m-20 -65.43 -39.4 92.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.235 178.141 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -70.46 -39.07 74.5 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.19 -176.268 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 83.5 t80 -59.05 -45.74 90.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.177 176.702 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.402 ' SG ' HD23 ' A' ' 91' ' ' LEU . 74.1 m -85.47 -15.57 42.47 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.147 -176.614 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 65.6 tt0 -61.15 -32.84 72.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.167 172.783 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 78.6 mm-40 -77.21 -37.82 52.62 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.2 174.907 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 78.9 mt -63.5 -37.17 86.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.135 -174.914 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 46.3 pt -71.8 -10.09 13.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.26 179.256 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 64.6 mt-30 -96.12 -5.57 40.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.2 173.585 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 50.4 m-85 -112.36 -6.49 14.03 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.17 175.533 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 89.35 21.85 39.71 Favored Glycine 0 CA--C 1.523 0.549 0 N-CA-C 111.193 -0.763 . . . . 0.0 111.193 175.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 34.1 m-85 -97.24 130.93 44.4 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.83 0.347 . . . . 0.0 111.222 179.298 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 87.5 t -124.76 -33.95 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.187 -177.148 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 73.8 mtm-85 -99.94 129.33 46.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.227 -173.509 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 54.6 mt -108.81 138.01 45.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.209 174.792 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 77.3 mt -124.13 106.18 16.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.183 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 92.7 mt -100.42 114.2 38.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.237 -172.14 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . 0.426 ' HB3' ' HA ' ' A' ' 11' ' ' THR . 51.2 tt0 -82.27 130.66 35.15 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.207 168.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 85.4 m-85 -102.97 120.42 40.6 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.134 -176.685 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -80.78 -168.37 39.08 Favored Glycine 0 CA--C 1.523 0.581 0 N-CA-C 111.247 -0.741 . . . . 0.0 111.247 179.607 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -82.59 162.69 21.84 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.788 0.327 . . . . 0.0 111.168 -175.133 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 94.9 m-20 76.19 0.32 3.24 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.235 178.817 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 92.9 m-85 -137.24 146.4 44.73 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.252 178.727 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 90.1 p -79.97 159.77 26.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.258 -179.424 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 55.0 m -85.22 55.38 3.47 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.228 178.683 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 75.7 tt0 -160.12 141.66 12.61 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.204 -175.672 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 45.8 p90 -143.09 37.76 1.41 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.228 176.395 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 86.4 tt0 -55.85 -35.54 66.54 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.167 -178.069 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 83.5 t60 -54.16 -46.11 72.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.19 -179.748 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 94.6 mt -65.57 -37.23 86.08 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.179 -175.876 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 56.1 t -72.97 -36.69 52.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.219 178.7 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 72.7 tp60 -64.94 -36.93 85.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.228 175.589 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 75.4 mm-40 -71.07 -33.08 69.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.229 176.038 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 51.7 tpt85 -75.17 -24.99 57.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.208 176.27 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 90.11 28.51 17.58 Favored Glycine 0 CA--C 1.524 0.625 0 N-CA-C 111.125 -0.79 . . . . 0.0 111.125 175.7 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -98.25 -167.16 31.44 Favored Glycine 0 CA--C 1.523 0.576 0 N-CA-C 111.173 -0.771 . . . . 0.0 111.173 -179.343 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 95.2 mm-40 -120.01 179.16 4.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.76 0.314 . . . . 0.0 111.206 179.007 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -167.7 141.31 3.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.251 -178.663 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -146.34 128.37 15.55 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.181 178.111 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 66.7 m -69.86 143.11 52.93 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.197 178.807 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 65.4 tt0 -160.08 134.95 7.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.249 -175.701 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -71.87 75.55 0.89 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.154 177.694 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 43.5 mm -62.07 126.5 87.64 Favored Pre-proline 0 C--N 1.328 -0.366 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.231 -177.374 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 79.9 Cg_exo -54.98 130.28 39.9 Favored 'Trans proline' 0 N--CA 1.458 -0.593 0 C-N-CA 121.668 1.579 . . . . 0.0 111.214 -175.916 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 16.0 tt -75.02 -20.01 16.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.197 171.552 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 68.0 m-20 -83.45 -35.56 24.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.203 -177.717 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 64.6 tt0 -86.06 -59.89 2.17 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.187 178.323 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 95.4 m-85 -91.14 -54.9 3.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.187 -176.439 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 119.2 26.69 2.4 Favored Glycine 0 CA--C 1.524 0.6 0 N-CA-C 111.162 -0.775 . . . . 0.0 111.162 -177.495 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 79.6 m -109.87 169.56 8.64 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.792 0.329 . . . . 0.0 111.185 178.805 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -94.89 -166.11 35.81 Favored Glycine 0 CA--C 1.523 0.591 0 N-CA-C 111.185 -0.766 . . . . 0.0 111.185 -177.831 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 58.6 p-10 -91.51 9.57 31.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.815 0.341 . . . . 0.0 111.212 -179.594 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 77.4 p -110.65 10.67 22.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.149 175.209 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -71.06 154.96 41.35 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.233 -175.535 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . 0.428 ' HD2' ' CZ ' ' A' ' 84' ' ' TYR . 40.8 ttm180 -137.94 137.74 38.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.221 178.321 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 63.9 tt0 -95.88 116.05 28.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.208 178.39 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . 0.428 ' CZ ' ' HD2' ' A' ' 82' ' ' ARG . 96.5 m-85 -97.72 138.24 35.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.132 177.108 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 74.8 t -116.74 107.99 23.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.195 -169.816 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 95.2 mt -121.86 167.75 12.67 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.242 -177.364 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 96.1 mtp 54.98 34.67 22.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.257 179.74 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 96.3 m-20 63.84 33.53 12.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.211 175.873 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 96.96 -4.07 62.77 Favored Glycine 0 CA--C 1.522 0.508 0 N-CA-C 111.181 -0.768 . . . . 0.0 111.181 175.58 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -80.14 -19.07 48.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.763 0.316 . . . . 0.0 111.205 -179.592 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.402 HD23 ' SG ' ' A' ' 31' ' ' CYS . 57.2 tp -121.27 121.76 38.42 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.167 177.082 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -114.5 108.44 16.86 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.178 -179.236 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 44.3 t -111.47 120.51 62.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.193 -174.109 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 87.3 mt -101.38 123.12 54.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.196 -176.75 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -106.25 147.75 16.3 Favored Glycine 0 CA--C 1.522 0.512 0 N-CA-C 111.237 -0.745 . . . . 0.0 111.237 171.12 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 29.6 p90 -163.73 172.1 14.66 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.815 0.341 . . . . 0.0 111.202 -170.221 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 14.0 m-20 -96.6 86.47 4.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.197 175.377 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 71.5 t80 -49.07 126.5 12.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.214 -178.498 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 56.0 m -130.0 169.63 15.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.239 -175.328 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 99.8 m -53.84 -44.96 70.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.211 -178.006 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -63.37 -32.85 74.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.163 -178.544 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 60.2 mtt -75.21 -24.99 57.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.204 -175.077 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 66.1 tt0 -53.46 -40.48 65.3 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.223 179.826 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 92.0 p -93.15 -2.77 54.99 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.181 -174.765 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 95.6 mt -112.09 -67.86 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.185 -173.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 13.5 tt -70.77 -23.42 23.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.224 -168.269 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -72.49 -41.36 66.07 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.19 176.272 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 38.6 t70 -66.91 -36.67 82.79 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.194 173.804 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' TYR . . . . . . . . . . . . . 81.0 t80 -56.09 -42.37 76.64 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.192 178.648 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 60.3 p -70.9 167.17 19.6 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.186 -176.683 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 54.4 m-20 -106.18 -37.69 6.5 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.181 -178.376 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 92.0 mt -112.8 146.46 38.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.212 172.126 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 95.2 t -123.86 122.13 63.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.254 177.42 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 114' ' ' ILE . . . . . 0.416 HG12 ' HB ' ' A' ' 133' ' ' ILE . 77.6 mt -114.2 117.36 55.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.272 175.191 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 60.7 p -91.88 158.3 16.37 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.191 177.081 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 14.6 t-160 -129.6 119.88 24.35 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.231 -177.467 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . 54.82 45.31 26.88 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.223 176.241 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 163.41 -176.27 39.58 Favored Glycine 0 CA--C 1.524 0.637 0 N-CA-C 111.171 -0.772 . . . . 0.0 111.171 178.268 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 45.7 p -126.78 25.09 6.43 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.798 0.332 . . . . 0.0 111.181 179.103 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -64.3 -45.61 93.0 Favored Glycine 0 CA--C 1.524 0.6 0 N-CA-C 111.183 -0.767 . . . . 0.0 111.183 -178.628 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 66.7 m -75.18 -17.51 60.36 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.817 0.342 . . . . 0.0 111.259 177.187 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 122' ' ' ILE . . . . . 0.449 HG13 HG23 ' A' ' 134' ' ' VAL . 48.9 mm -79.12 -41.51 23.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.141 -176.642 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 42.2 tp -63.46 -36.43 83.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.281 178.863 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 94.3 m-20 -70.32 -50.37 39.92 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.179 173.667 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 33.3 t -55.83 -35.43 66.37 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.218 178.704 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 64.2 tp -56.55 -45.75 81.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.29 172.742 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 90.6 mtm180 -74.71 -20.5 59.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.241 178.696 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 94.5 mt -88.47 -8.03 55.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.232 178.638 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 78.9 m-20 64.86 35.09 8.72 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.208 -179.34 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 130' ' ' LYS . . . . . 0.426 ' HA ' ' HD3' ' A' ' 131' ' ' PRO . 39.1 mmtm -111.24 149.8 41.09 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.229 177.357 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 131' ' ' PRO . . . . . 0.426 ' HD3' ' HA ' ' A' ' 130' ' ' LYS . 72.7 Cg_exo -56.99 147.38 74.85 Favored 'Trans proline' 0 N--CA 1.458 -0.594 0 C-N-CA 121.71 1.607 . . . . 0.0 111.216 -175.208 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 132' ' ' LEU . . . . . 0.414 ' O ' ' HA ' ' A' ' 158' ' ' VAL . 33.4 mt -111.89 97.51 6.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.177 -167.782 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 133' ' ' ILE . . . . . 0.416 ' HB ' HG12 ' A' ' 114' ' ' ILE . 89.4 mt -101.81 125.61 55.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.215 176.805 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 134' ' ' VAL . . . . . 0.449 HG23 HG13 ' A' ' 122' ' ' ILE . 93.9 t -118.61 106.82 20.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.166 -174.714 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 135' ' ' CYS . . . . . . . . . . . . . 50.5 t -99.91 112.65 24.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.223 178.552 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 46.6 t -140.22 130.81 29.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.179 -179.033 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 11.4 t-20 -70.34 167.51 17.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.167 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 98.8 m-20 -69.74 -34.97 74.56 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.201 -179.656 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 96.9 p -81.38 -15.45 55.2 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.162 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 94.5 mt -97.15 -27.73 14.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.193 -178.717 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 141' ' ' MET . . . . . . . . . . . . . 54.8 ttm -75.58 125.34 28.85 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.228 -174.754 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 142' ' ' ASP . . . . . 0.4 ' O ' ' HG3' ' A' ' 146' ' ' GLN . 18.5 t0 -79.84 169.95 17.19 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.24 -178.156 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 99.4 m-20 -57.54 -49.92 74.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.183 -175.778 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 144' ' ' HIS . . . . . . . . . . . . . 85.9 t60 -60.47 -41.81 94.96 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.182 176.284 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 145' ' ' GLN . . . . . . . . . . . . . 91.3 mt-30 -65.93 -30.47 71.06 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.199 -178.17 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 146' ' ' GLN . . . . . 0.4 ' HG3' ' O ' ' A' ' 142' ' ' ASP . 74.6 mt-30 -72.78 -35.78 67.47 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.204 176.467 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 147' ' ' GLN . . . . . . . . . . . . . 88.2 mt-30 -66.89 -37.96 85.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.201 178.871 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 148' ' ' ILE . . . . . . . . . . . . . 38.3 pt -88.8 -14.7 9.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.219 -178.578 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -65.06 -34.79 79.27 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.201 170.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 99.8 m-20 -66.13 -34.84 78.97 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.186 172.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 151' ' ' LYS . . . . . . . . . . . . . 96.2 mttt -69.96 -36.28 75.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.271 176.804 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 152' ' ' PHE . . . . . . . . . . . . . 19.9 m-30 -59.91 -29.17 68.18 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.172 -178.137 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 153' ' ' VAL . . . . . . . . . . . . . 74.6 t -53.83 -40.06 42.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.22 -177.329 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 95.0 mt-10 -120.0 -4.84 10.08 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.205 -172.475 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 155' ' ' LEU . . . . . . . . . . . . . 52.2 tp -55.45 -53.76 52.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.256 -176.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . 105.13 -30.73 9.48 Favored Glycine 0 CA--C 1.524 0.636 0 N-CA-C 111.203 -0.759 . . . . 0.0 111.203 175.54 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 157' ' ' TYR . . . . . . . . . . . . . 28.5 m-85 -87.62 -53.04 5.0 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.782 0.325 . . . . 0.0 111.192 176.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 158' ' ' VAL . . . . . 0.414 ' HA ' ' O ' ' A' ' 132' ' ' LEU . 50.0 t -108.75 134.91 49.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.197 -178.934 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 159' ' ' TRP . . . . . . . . . . . . . 13.4 m-90 -118.87 132.34 56.1 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.16 -178.382 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 160' ' ' SER . . . . . . . . . . . . . 30.6 t -85.81 126.58 34.13 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.218 178.574 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 161' ' ' CYS . . . . . . . . . . . . . 34.0 m -133.34 170.19 15.83 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.197 179.738 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -119.58 149.0 47.16 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.234 178.673 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 163' ' ' PRO . . . . . . . . . . . . . 86.3 Cg_endo -78.52 62.85 8.35 Favored 'Trans proline' 0 N--CA 1.458 -0.601 0 C-N-CA 121.719 1.613 . . . . 0.0 111.208 -179.498 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 164' ' ' THR . . . . . . . . . . . . . 10.6 p -133.89 -179.99 5.89 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.223 179.149 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 165' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -64.37 -17.23 63.54 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.146 177.798 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 166' ' ' THR . . . . . . . . . . . . . 74.9 p -114.63 -32.11 5.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.158 -171.321 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 167' ' ' GLY . . . . . . . . . . . . . . . -72.92 -38.13 56.3 Favored Glycine 0 CA--C 1.524 0.619 0 N-CA-C 111.181 -0.767 . . . . 0.0 111.181 -179.273 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 168' ' ' LEU . . . . . . . . . . . . . 91.5 mt -65.57 -36.54 84.07 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.78 0.324 . . . . 0.0 111.179 178.187 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 94.6 mt -71.62 -39.71 70.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.186 173.703 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 170' ' ' ALA . . . . . . . . . . . . . . . -57.26 -34.89 69.08 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.192 178.808 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 171' ' ' GLY . . . . . . . . . . . . . . . -63.35 -43.19 98.73 Favored Glycine 0 CA--C 1.523 0.567 0 N-CA-C 111.201 -0.76 . . . . 0.0 111.201 178.167 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 97.7 mt -64.88 -37.78 88.77 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.807 0.336 . . . . 0.0 111.172 177.855 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 173' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -78.82 -27.35 44.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.219 -179.658 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -65.63 -34.82 79.12 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.24 -179.798 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 59.7 p -64.98 -24.95 67.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.178 177.485 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 176' ' ' GLN . . . . . . . . . . . . . 66.5 tt0 -85.77 -41.9 14.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.221 178.254 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 177' ' ' THR . . . . . . . . . . . . . 89.1 m -65.89 -58.44 5.57 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.288 -177.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 178' ' ' GLU . . . . . . . . . . . . . 76.1 mm-40 -110.06 89.94 3.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.148 176.022 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 179' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -71.84 148.8 45.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.231 -172.237 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 180' ' ' LEU . . . . . 0.484 HD21 ' C ' ' A' ' 180' ' ' LEU . 8.2 tt -72.08 99.94 2.41 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.203 177.358 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 181' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -115.17 152.08 46.37 Favored Pre-proline 0 C--N 1.327 -0.386 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.222 -174.072 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 182' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_endo -67.75 145.42 69.15 Favored 'Trans proline' 0 N--CA 1.458 -0.562 0 C-N-CA 121.694 1.596 . . . . 0.0 111.256 178.625 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 183' ' ' PHE . . . . . 0.4 ' HA ' ' HD3' ' A' ' 184' ' ' PRO . 14.5 m-30 -105.2 156.31 36.4 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.224 -179.025 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 184' ' ' PRO . . . . . 0.4 ' HD3' ' HA ' ' A' ' 183' ' ' PHE . 50.4 Cg_exo -54.79 159.92 8.35 Favored 'Trans proline' 0 N--CA 1.458 -0.599 0 C-N-CA 121.698 1.599 . . . . 0.0 111.218 176.428 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 185' ' ' VAL . . . . . . . . . . . . . 33.6 m -66.49 -18.49 24.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.154 -176.723 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 186' ' ' SER . . . . . . . . . . . . . 98.8 p -84.83 -15.07 46.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.158 175.287 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 187' ' ' HIS . . . . . . . . . . . . . 80.9 m80 -110.78 -3.61 15.67 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.172 -178.049 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 188' ' ' ASN . . . . . 0.449 ' N ' ' HD2' ' A' ' 189' ' ' PRO . 90.9 m-20 -69.12 -50.85 19.53 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.191 176.171 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 189' ' ' PRO . . . . . 0.449 ' HD2' ' N ' ' A' ' 188' ' ' ASN . 85.9 Cg_endo -77.32 -19.73 13.12 Favored 'Trans proline' 0 N--CA 1.459 -0.551 0 C-N-CA 121.769 1.646 . . . . 0.0 111.168 179.148 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 190' ' ' SER . . . . . . . . . . . . . 49.5 m -76.14 -37.54 57.89 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.12 172.174 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 191' ' ' PHE . . . . . . . . . . . . . 63.3 t80 -70.26 -35.86 74.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.238 173.823 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 192' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -52.71 -38.53 60.87 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.2 172.915 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 193' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -67.18 -28.63 68.26 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.2 176.693 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 194' ' ' LEU . . . . . . . . . . . . . 96.3 mt -79.04 -29.5 43.59 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.192 177.266 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 195' ' ' LEU . . . . . . . . . . . . . 80.8 mt -65.19 -43.01 93.01 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.246 178.408 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 196' ' ' VAL . . . . . 0.443 ' HA ' ' HB3' ' A' ' 200' ' ' TYR . 31.7 m -79.22 -13.6 13.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.198 179.239 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 197' ' ' GLU . . . . . . . . . . . . . 77.0 tt0 -86.42 -44.88 11.67 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.198 176.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 198' ' ' THR . . . . . . . . . . . . . 80.4 p -99.06 -28.76 13.24 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.189 -165.424 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 199' ' ' ILE . . . . . . . . . . . . . 85.5 mt -108.48 -60.66 2.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.118 -174.056 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 200' ' ' TYR . . . . . 0.471 ' O ' ' O ' ' A' ' 201' ' ' SER . 85.9 t80 -60.11 -50.05 75.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.182 -174.789 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 201' ' ' SER . . . . . 0.471 ' O ' ' O ' ' A' ' 200' ' ' TYR . 57.1 m . . . . . 0 C--O 1.2 -1.551 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.191 178.457 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.601 0 N-CA-C 111.223 -0.751 . . . . 0.0 111.223 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . 0.476 HG13 HG23 ' A' ' 3' ' ' ILE . 41.9 pt -125.02 -0.52 5.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.777 0.322 . . . . 0.0 111.197 -175.508 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . 0.476 HG23 HG13 ' A' ' 2' ' ' ILE . 43.3 pt -128.28 6.5 3.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.154 177.813 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 52.2 mt-10 -83.01 -24.08 33.01 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.151 -178.203 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 72.5 mm-40 -119.92 175.3 5.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.218 -178.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 36.4 tptt -50.26 109.83 0.34 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.171 -177.651 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -116.99 126.05 52.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.209 -171.577 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 52.9 tp -99.36 121.84 41.67 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.169 172.81 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 73.6 t80 -99.63 120.06 39.08 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.164 177.753 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 88.7 t -113.62 127.91 70.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.243 178.002 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 10.1 t -138.57 146.56 41.97 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.187 177.68 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 68.7 m -104.81 155.46 18.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.196 178.885 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -79.29 -177.62 50.19 Favored Glycine 0 CA--C 1.523 0.574 0 N-CA-C 111.258 -0.737 . . . . 0.0 111.258 -179.689 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -89.68 -4.67 57.64 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.799 0.333 . . . . 0.0 111.207 -176.22 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 71.8 p -112.12 5.0 18.32 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.174 -177.136 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 27.1 m -125.3 155.65 71.16 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.236 179.697 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 55.3 Cg_endo -69.46 138.43 38.76 Favored 'Trans proline' 0 N--CA 1.457 -0.641 0 C-N-CA 121.753 1.635 . . . . 0.0 111.251 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . 0.489 ' N ' ' HD2' ' A' ' 19' ' ' PRO . 29.6 m-85 -80.88 -57.18 0.6 Allowed Pre-proline 0 C--N 1.328 -0.334 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.17 -175.577 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . 0.489 ' HD2' ' N ' ' A' ' 18' ' ' PHE . 37.7 Cg_endo -70.0 -24.98 27.97 Favored 'Trans proline' 0 N--CA 1.458 -0.579 0 C-N-CA 121.688 1.592 . . . . 0.0 111.212 -171.514 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -74.17 -30.86 62.45 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.153 179.197 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 96.9 mt -86.42 -19.73 29.22 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.173 177.394 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 46.5 t -66.58 -40.0 85.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.173 170.365 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 57.0 p -65.93 -20.02 66.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.242 -178.311 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 90.9 m -86.34 -14.91 42.16 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.21 -176.809 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 30.5 m -114.16 -2.93 10.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.233 -178.78 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 84.1 mt -103.71 11.99 35.26 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.17 170.526 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 4.1 t -60.68 144.09 52.81 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.144 175.035 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 87.9 m-20 -60.17 -39.29 85.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.165 175.867 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -76.95 -36.71 56.32 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.205 -178.879 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 55.7 t80 -57.0 -50.16 73.56 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.239 174.383 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 90.3 m -75.21 -30.07 60.51 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.185 -176.753 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 66.5 tt0 -56.67 -50.83 70.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.221 174.132 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -76.76 -29.11 55.98 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.14 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 45.2 tp -53.0 -44.28 67.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.213 173.73 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 97.5 mt -60.75 -40.02 83.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.181 172.462 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 88.6 mt-30 -70.26 -16.15 63.0 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.218 -178.757 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 27.6 m-85 -95.88 1.7 53.19 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.171 176.443 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 93.86 10.2 59.03 Favored Glycine 0 CA--C 1.523 0.584 0 N-CA-C 111.17 -0.772 . . . . 0.0 111.17 168.217 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 84.2 m-85 -94.23 134.15 37.0 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.785 0.326 . . . . 0.0 111.269 -178.268 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 35.1 m -126.62 -16.12 3.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.164 -176.034 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 11.6 mpt_? -112.87 128.59 56.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.212 171.134 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 63.7 tp -119.15 105.01 10.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.218 175.773 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 91.8 mt -106.14 116.92 50.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.207 -177.637 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 80.6 mt -119.01 121.41 66.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.255 -174.023 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 19.6 tm0? -94.03 138.4 32.16 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.186 178.229 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 44.9 p90 -142.81 155.06 44.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.217 176.757 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -58.8 -61.86 6.9 Favored Glycine 0 CA--C 1.523 0.57 0 N-CA-C 111.271 -0.732 . . . . 0.0 111.271 -168.259 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 40.1 ptt180 -167.98 140.72 3.14 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.81 0.338 . . . . 0.0 111.22 -179.088 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 95.3 m-20 55.32 38.24 30.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.209 166.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 52.0 m-85 -113.67 18.06 17.76 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.094 171.782 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 76.9 p -75.91 -14.13 60.26 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.238 178.908 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 90.8 p -64.96 -25.76 68.01 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.17 177.377 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 77.2 mm-40 -69.17 -29.97 68.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.179 174.187 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 49.1 m-85 -78.92 -32.21 45.54 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.192 176.649 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -66.82 -39.19 87.62 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.159 173.636 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 65.0 m170 -60.01 -43.4 95.25 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.212 174.4 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 39.6 tp -56.7 -60.42 3.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.203 175.218 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 5.2 p -69.02 -26.58 32.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.258 -169.212 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 71.9 tp60 -71.67 -45.91 60.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.167 178.848 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -71.77 -34.83 69.78 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.183 -178.562 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 11.9 mpt_? -80.04 -27.45 39.42 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.144 -179.627 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 85.02 43.15 6.81 Favored Glycine 0 CA--C 1.523 0.565 0 N-CA-C 111.236 -0.746 . . . . 0.0 111.236 175.25 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -103.62 -164.98 25.28 Favored Glycine 0 CA--C 1.524 0.623 0 N-CA-C 111.171 -0.771 . . . . 0.0 111.171 -179.099 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 97.1 mm-40 -110.6 161.96 15.2 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.859 0.361 . . . . 0.0 111.171 176.821 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 32.9 ptt-85 -149.76 150.01 31.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.228 -178.501 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 37.3 tt0 -167.73 137.2 2.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.173 175.177 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 32.9 t -90.98 130.63 36.88 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.241 175.618 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 86.6 mt-30 -130.46 142.25 50.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.222 -179.272 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -71.61 129.94 39.96 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.224 177.831 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 49.3 mm -83.07 123.81 77.14 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.241 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . 0.413 ' HB2' ' HB3' ' A' ' 74' ' ' GLN . 74.3 Cg_exo -55.44 130.04 38.4 Favored 'Trans proline' 0 N--CA 1.458 -0.601 0 C-N-CA 121.692 1.595 . . . . 0.0 111.147 -179.561 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 96.8 mt -75.74 -39.14 38.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.221 174.02 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 99.4 m-20 -62.73 -40.34 96.89 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.193 -178.913 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . 0.413 ' HB3' ' HB2' ' A' ' 71' ' ' PRO . 64.2 tt0 -85.04 -57.68 3.0 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.246 -178.072 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 77.1 m-85 -89.99 -59.16 2.27 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.187 -175.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 120.73 -21.11 8.56 Favored Glycine 0 CA--C 1.524 0.6 0 N-CA-C 111.141 -0.784 . . . . 0.0 111.141 -178.218 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' CYS . . . . . 0.4 ' HA ' ' SD ' ' A' ' 102' ' ' MET . 98.5 m -75.27 142.42 43.33 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.801 0.334 . . . . 0.0 111.229 176.479 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -108.15 5.05 33.77 Favored Glycine 0 CA--C 1.523 0.575 0 N-CA-C 111.186 -0.766 . . . . 0.0 111.186 -173.607 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 44.0 p30 -88.79 -174.68 4.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.788 0.328 . . . . 0.0 111.194 -176.86 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 69.6 p -123.56 74.13 1.24 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.266 -177.745 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -57.01 144.92 32.2 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.205 -174.775 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 77.5 mtp180 -98.73 122.86 42.49 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.193 -174.311 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 28.5 tt0 -90.07 129.98 36.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.143 179.009 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 86.2 m-85 -125.09 142.35 51.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.148 173.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 89.3 t -92.92 124.91 45.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.242 177.305 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.419 ' O ' ' HB2' ' A' ' 87' ' ' MET . 31.1 tp -136.68 145.34 44.64 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.153 -176.525 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' MET . . . . . 0.419 ' HB2' ' O ' ' A' ' 86' ' ' LEU . 82.4 mmm 69.98 32.23 3.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.233 -179.138 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 96.2 m-20 64.98 28.43 12.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.221 177.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 89.57 9.53 66.51 Favored Glycine 0 CA--C 1.523 0.556 0 N-CA-C 111.183 -0.767 . . . . 0.0 111.183 175.29 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -72.56 -24.97 61.19 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.834 0.349 . . . . 0.0 111.204 177.535 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.492 ' C ' HD12 ' A' ' 91' ' ' LEU . 4.7 pp -149.03 160.42 43.34 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.186 171.527 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 83.5 mttt -106.29 144.74 32.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.145 177.486 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 80.5 t -115.55 114.93 47.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.128 174.616 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 31.8 mm -110.78 111.99 38.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.261 -175.791 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -88.81 128.92 9.37 Favored Glycine 0 CA--C 1.524 0.6 0 N-CA-C 111.166 -0.773 . . . . 0.0 111.166 179.224 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 25.9 m-85 -112.24 122.88 48.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.822 0.344 . . . . 0.0 111.182 177.048 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 43.5 t0 -103.79 94.91 5.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.239 177.136 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 37.7 p90 -167.03 179.88 4.98 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.194 175.06 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 93.5 p -84.99 -128.15 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.22 -174.763 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 80.9 p -111.88 1.3 16.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.196 -177.9 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -71.82 -33.27 68.37 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.174 -170.347 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' MET . . . . . 0.4 ' SD ' ' HA ' ' A' ' 77' ' ' CYS . 72.0 mtm -116.33 16.17 15.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.215 -168.891 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 77.7 mt-30 -74.93 -35.04 62.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.22 -178.3 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 73.7 m -64.03 -31.41 72.59 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.173 178.691 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 94.5 mt -59.44 -46.98 92.27 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.205 178.496 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 49.6 mm -77.57 -36.76 23.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.179 -176.76 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 88.3 mtm-85 -60.01 -37.21 79.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.15 177.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -62.22 -30.08 70.84 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.216 175.455 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' TYR . . . . . . . . . . . . . 19.4 m-30 -92.96 -18.49 22.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.217 -174.834 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 74.8 p -74.15 172.13 12.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.146 -175.242 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 48.1 m-20 -112.12 -32.02 6.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.135 175.064 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 60.1 tp -139.5 136.43 34.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.186 174.588 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 85.7 t -114.04 122.67 68.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.205 -176.321 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 114' ' ' ILE . . . . . 0.455 HG12 ' HB ' ' A' ' 133' ' ' ILE . 92.9 mt -107.92 123.76 63.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.232 167.503 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 15.4 t -130.37 -176.6 4.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.191 177.848 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 73.7 m80 -133.5 145.05 49.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.201 -176.73 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -55.25 134.32 49.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.184 178.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 110.67 40.69 1.3 Allowed Glycine 0 CA--C 1.522 0.519 0 N-CA-C 111.212 -0.755 . . . . 0.0 111.212 -179.571 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 119' ' ' THR . . . . . 0.655 ' O ' ' C ' ' A' ' 120' ' ' GLY . 12.9 t -173.87 24.59 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.822 0.344 . . . . 0.0 111.211 175.897 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . 0.655 ' C ' ' O ' ' A' ' 119' ' ' THR . . . 3.45 63.86 0.0 OUTLIER Glycine 0 CA--C 1.523 0.564 0 N-CA-C 111.176 -0.77 . . . . 0.0 111.176 -174.571 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 121' ' ' SER . . . . . 0.63 ' N ' ' O ' ' A' ' 119' ' ' THR . 80.6 p -93.22 3.64 55.32 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.778 0.323 . . . . 0.0 111.221 177.905 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 122' ' ' ILE . . . . . . . . . . . . . 35.3 pt -67.38 -19.9 25.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.111 -172.613 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 64.1 tp -56.56 -46.03 80.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.113 -173.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 74.5 m-20 -59.95 -59.78 4.88 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.141 -173.563 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 10.4 t -54.55 -36.48 64.36 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.206 -179.13 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 4.0 mp -63.51 -51.13 66.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.212 176.644 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 20.1 ptt180 -74.88 -15.02 60.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.192 -175.749 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 97.9 mt -92.52 -7.43 47.35 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.184 178.701 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 84.0 m-20 64.43 35.04 9.84 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.221 -176.618 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 94.3 mttt -109.71 149.91 40.56 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.173 -178.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 38.5 Cg_endo -64.04 138.41 62.08 Favored 'Trans proline' 0 N--CA 1.458 -0.562 0 C-N-CA 121.639 1.559 . . . . 0.0 111.179 177.005 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 65.2 tp -128.5 126.16 39.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.15 -171.679 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 133' ' ' ILE . . . . . 0.455 ' HB ' HG12 ' A' ' 114' ' ' ILE . 62.0 mt -107.99 125.96 64.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.252 171.085 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 97.5 t -125.04 128.45 73.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.173 179.138 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 135' ' ' CYS . . . . . . . . . . . . . 95.9 m -89.07 124.94 34.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.265 175.038 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 97.2 t -94.07 114.39 30.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.183 -177.798 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 27.2 p30 -105.21 -172.8 2.16 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.184 -174.344 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 68.1 m-20 -109.77 25.15 12.12 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.173 -174.416 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 28.9 p -93.64 -5.03 49.6 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.238 170.35 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 78.8 mt -79.14 159.21 27.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.157 179.312 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 141' ' ' MET . . . . . . . . . . . . . 99.3 mmm -69.89 150.64 46.56 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.229 -179.913 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 142' ' ' ASP . . . . . 0.427 ' O ' ' CB ' ' A' ' 143' ' ' ASN . 95.7 m-20 -59.88 140.01 56.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.166 179.239 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 143' ' ' ASN . . . . . 0.427 ' CB ' ' O ' ' A' ' 142' ' ' ASP . 77.2 m-20 79.58 -64.87 0.21 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.237 -176.145 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 144' ' ' HIS . . . . . . . . . . . . . 18.3 t-160 -51.09 -37.1 43.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.202 177.892 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 145' ' ' GLN . . . . . . . . . . . . . 58.8 tt0 -49.22 -50.61 37.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.173 176.499 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 146' ' ' GLN . . . . . . . . . . . . . 73.0 tp60 -70.33 -36.65 74.38 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.203 -179.443 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 147' ' ' GLN . . . . . . . . . . . . . 89.1 mt-30 -63.75 -36.02 82.5 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.19 -177.087 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 148' ' ' ILE . . . . . . . . . . . . . 86.2 mt -64.02 -46.99 92.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.198 178.399 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -65.17 -36.75 85.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.196 176.467 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 95.1 m-20 -65.06 -35.07 79.98 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.193 178.563 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 151' ' ' LYS . . . . . 0.423 ' HB3' HG12 ' A' ' 199' ' ' ILE . 70.0 mmtt -77.6 -28.42 51.53 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.237 -179.661 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 152' ' ' PHE . . . . . . . . . . . . . 16.0 m-30 -61.44 -36.44 80.4 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.204 169.244 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 153' ' ' VAL . . . . . . . . . . . . . 79.3 t -75.01 -45.32 43.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.246 178.308 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 94.3 mt-10 -63.09 -34.51 77.76 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.207 178.585 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 155' ' ' LEU . . . . . 0.415 HD13 HD23 ' A' ' 195' ' ' LEU . 46.2 tp -67.63 -48.25 67.26 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.216 172.071 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . 85.42 10.22 77.64 Favored Glycine 0 CA--C 1.524 0.629 0 N-CA-C 111.222 -0.751 . . . . 0.0 111.222 168.684 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 157' ' ' TYR . . . . . . . . . . . . . 79.5 m-85 -124.98 3.57 8.02 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.775 0.321 . . . . 0.0 111.163 -179.196 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 158' ' ' VAL . . . . . . . . . . . . . 58.8 t -123.94 125.0 70.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.232 177.719 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 159' ' ' TRP . . . . . . . . . . . . . 95.4 m95 -82.74 133.3 35.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.189 179.393 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 160' ' ' SER . . . . . . . . . . . . . 40.5 t -102.31 109.28 20.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.169 178.502 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 161' ' ' CYS . . . . . . . . . . . . . 78.6 m -125.04 -175.22 3.24 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.216 -175.165 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -100.11 146.43 31.92 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.262 178.195 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 163' ' ' PRO . . . . . . . . . . . . . 89.3 Cg_endo -77.24 64.79 7.92 Favored 'Trans proline' 0 N--CA 1.457 -0.636 0 C-N-CA 121.801 1.667 . . . . 0.0 111.143 179.723 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 164' ' ' THR . . . . . . . . . . . . . 14.6 t -162.49 175.77 11.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.151 179.557 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 165' ' ' GLU . . . . . . . . . . . . . 89.3 tt0 -53.99 -45.95 71.57 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.156 -175.804 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 166' ' ' THR . . . . . . . . . . . . . 95.0 m -64.55 -48.9 73.32 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.177 -176.701 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 167' ' ' GLY . . . . . . . . . . . . . . . -66.21 -35.2 90.06 Favored Glycine 0 CA--C 1.523 0.571 0 N-CA-C 111.224 -0.75 . . . . 0.0 111.224 -177.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 168' ' ' LEU . . . . . . . . . . . . . 64.6 mt -69.36 -45.2 69.96 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.846 0.355 . . . . 0.0 111.229 -176.256 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 169' ' ' ILE . . . . . 0.401 HD13 ' HA ' ' A' ' 169' ' ' ILE . 9.4 tp -75.11 -27.12 19.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.219 178.465 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 170' ' ' ALA . . . . . . . . . . . . . . . -69.55 -35.54 75.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.22 174.179 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 171' ' ' GLY . . . . . . . . . . . . . . . -63.63 -42.2 98.83 Favored Glycine 0 CA--C 1.524 0.609 0 N-CA-C 111.209 -0.757 . . . . 0.0 111.209 175.532 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 62.7 mt -61.4 -42.65 99.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.859 0.361 . . . . 0.0 111.195 175.698 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 173' ' ' ARG . . . . . . . . . . . . . 37.0 ttm180 -57.51 -46.41 83.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.202 174.511 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -64.99 -40.26 94.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.255 -177.382 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 60.7 p -65.05 -24.93 67.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.217 -178.18 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 176' ' ' GLN . . . . . . . . . . . . . 87.5 mm-40 -99.66 -18.56 17.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.162 -179.183 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 177' ' ' THR . . . . . . . . . . . . . 81.7 m -72.6 -46.3 54.88 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.252 175.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 178' ' ' GLU . . . . . . . . . . . . . 93.8 mt-10 -121.71 140.7 51.98 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.217 179.625 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 179' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -91.96 129.88 37.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.23 -178.225 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 180' ' ' LEU . . . . . . . . . . . . . 86.3 mt -95.1 154.97 16.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.167 176.256 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 181' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -122.25 163.08 34.16 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.195 -174.504 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 182' ' ' PRO . . . . . . . . . . . . . 68.7 Cg_exo -53.48 148.75 33.02 Favored 'Trans proline' 0 N--CA 1.458 -0.588 0 C-N-CA 121.714 1.609 . . . . 0.0 111.193 178.103 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 183' ' ' PHE . . . . . 0.4 ' HA ' ' HD3' ' A' ' 184' ' ' PRO . 38.9 m-85 -77.78 144.49 68.88 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.198 -171.442 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 184' ' ' PRO . . . . . 0.4 ' HD3' ' HA ' ' A' ' 183' ' ' PHE . 50.1 Cg_exo -54.46 -35.07 84.05 Favored 'Trans proline' 0 N--CA 1.457 -0.625 0 C-N-CA 121.692 1.595 . . . . 0.0 111.171 172.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 185' ' ' VAL . . . . . . . . . . . . . 89.2 t -70.91 129.39 34.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.161 179.083 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 186' ' ' SER . . . . . . . . . . . . . 84.0 p -117.11 4.61 12.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.217 -176.061 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 187' ' ' HIS . . . . . . . . . . . . . 91.4 m-70 -119.98 138.41 53.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.159 -178.401 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 188' ' ' ASN . . . . . 0.491 ' N ' ' CD ' ' A' ' 189' ' ' PRO . 99.5 m-20 -66.85 -46.25 54.95 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.168 -177.511 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 189' ' ' PRO . . . . . 0.491 ' CD ' ' N ' ' A' ' 188' ' ' ASN . 52.2 Cg_exo -55.11 -37.65 93.94 Favored 'Trans proline' 0 N--CA 1.457 -0.627 0 C-N-CA 121.713 1.608 . . . . 0.0 111.189 176.135 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 190' ' ' SER . . . . . . . . . . . . . 67.3 m -69.9 -40.63 75.5 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.167 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 191' ' ' PHE . . . . . . . . . . . . . 21.4 m-85 -54.75 -44.39 73.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.176 174.589 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 192' ' ' GLU . . . . . . . . . . . . . 89.2 tt0 -65.88 -45.95 80.16 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.193 179.608 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 193' ' ' ARG . . . . . . . . . . . . . 36.0 mmt180 -99.99 -49.95 4.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.189 -165.579 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 194' ' ' LEU . . . . . . . . . . . . . 4.9 tt -58.8 -52.55 65.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.227 -179.904 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 195' ' ' LEU . . . . . 0.415 HD23 HD13 ' A' ' 155' ' ' LEU . 88.3 mt -96.88 -64.29 1.06 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.218 -171.591 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 196' ' ' VAL . . . . . . . . . . . . . 55.7 t -66.4 -47.44 83.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.209 -166.134 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 197' ' ' GLU . . . . . . . . . . . . . 42.2 tt0 -55.6 -40.6 72.28 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.202 179.624 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 198' ' ' THR . . . . . . . . . . . . . 71.0 p -77.82 -24.55 48.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.199 -175.839 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 199' ' ' ILE . . . . . 0.423 HG12 ' HB3' ' A' ' 151' ' ' LYS . 83.8 mt -68.38 -43.92 83.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.183 172.06 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 200' ' ' TYR . . . . . . . . . . . . . 79.5 m-85 -106.47 35.54 2.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.2 179.658 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 201' ' ' SER . . . . . . . . . . . . . 40.9 t . . . . . 0 C--O 1.2 -1.529 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.211 179.377 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.606 0 N-CA-C 111.16 -0.776 . . . . 0.0 111.16 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 98.0 mt -99.93 -55.05 6.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.838 0.352 . . . . 0.0 111.224 -179.212 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 96.8 mt -73.32 -48.02 44.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.163 -178.397 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 75.1 mm-40 -91.11 154.98 18.98 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.172 -176.604 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 17.7 mt-10 -77.58 154.36 32.41 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.188 179.745 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.513 ' HB2' ' HA ' ' A' ' 39' ' ' PHE . 90.8 mttt -67.53 136.52 54.67 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.169 178.773 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -127.87 135.29 49.82 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.183 -174.127 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 97.1 mt -86.4 140.63 29.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.226 167.663 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 47.4 t80 -116.86 102.71 9.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.194 175.39 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 71.6 t -104.81 123.58 58.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.176 -172.316 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 69.8 p -115.32 141.43 48.04 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.267 174.814 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 82.5 m -113.48 144.94 41.99 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.186 -174.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -111.71 168.58 12.82 Favored Glycine 0 CA--C 1.523 0.556 0 N-CA-C 111.214 -0.754 . . . . 0.0 111.214 -179.299 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -87.35 54.76 3.26 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.827 0.346 . . . . 0.0 111.166 -173.133 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' THR . . . . . 0.408 ' OG1' ' NE2' ' A' ' 116' ' ' HIS . 29.4 p -128.5 -72.66 0.6 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.182 178.386 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.407 ' HA ' ' HD3' ' A' ' 17' ' ' PRO . 84.8 t -84.1 133.16 46.0 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.168 172.58 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.407 ' HD3' ' HA ' ' A' ' 16' ' ' VAL . 86.9 Cg_exo -51.36 141.8 39.48 Favored 'Trans proline' 0 N--CA 1.457 -0.627 0 C-N-CA 121.643 1.562 . . . . 0.0 111.222 -179.418 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . 0.542 ' N ' ' CD ' ' A' ' 19' ' ' PRO . 14.4 m-30 -63.39 -43.13 78.41 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.203 -173.089 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . 0.542 ' CD ' ' N ' ' A' ' 18' ' ' PHE . 71.1 Cg_exo -54.91 -31.99 76.0 Favored 'Trans proline' 0 N--CA 1.459 -0.556 0 C-N-CA 121.636 1.558 . . . . 0.0 111.252 178.441 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -82.09 -24.66 35.06 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.157 -179.909 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 83.4 mt -75.8 -23.91 55.89 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.204 -179.135 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 27.3 m -99.34 -11.34 8.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.217 -176.854 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 72.9 p -63.48 -31.96 73.28 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.244 -178.26 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 26.1 p -80.58 -41.95 23.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.213 178.615 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 1.4 p -74.4 -19.97 17.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.215 -174.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 92.1 mt -100.1 5.41 44.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.171 -178.81 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 55.0 p -68.03 152.66 45.17 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.264 -178.073 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 94.7 m-20 -64.94 -34.96 79.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.222 179.059 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -69.87 -45.67 67.21 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.269 -179.567 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 78.7 t80 -59.65 -49.44 77.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.184 178.858 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 90.1 m -69.13 -39.87 78.63 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.187 -176.006 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 66.8 tt0 -55.74 -41.89 74.58 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.159 176.619 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 65.6 mm-40 -76.44 -38.2 55.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.224 176.793 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 36.7 tp -57.45 -42.53 82.68 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.16 -173.768 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 42.7 pt -73.61 -7.91 10.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.258 -174.811 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 68.4 mt-30 -93.92 -0.67 55.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.166 178.164 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 72.1 m-85 -109.34 -2.46 17.81 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.266 176.285 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 99.56 -5.86 58.8 Favored Glycine 0 CA--C 1.523 0.579 0 N-CA-C 111.224 -0.75 . . . . 0.0 111.224 178.586 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.513 ' HA ' ' HB2' ' A' ' 6' ' ' LYS . 51.8 m-85 -80.73 124.64 29.21 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.888 0.375 . . . . 0.0 111.208 -178.809 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 85.4 t -122.17 -42.23 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.156 -177.713 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 85.9 mtt180 -91.26 137.95 31.97 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.185 -172.082 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 56.7 tp -129.48 109.24 10.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.224 -176.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 3.0 mp -94.65 106.25 17.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.14 179.167 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 45.6 mm -101.99 102.39 13.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.171 -179.715 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 21.4 tm0? -77.53 127.7 32.95 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.197 174.02 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 47.3 p90 -155.05 158.66 39.43 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.178 171.879 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -111.09 -5.51 26.79 Favored Glycine 0 CA--C 1.524 0.629 0 N-CA-C 111.15 -0.78 . . . . 0.0 111.15 178.723 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -101.9 124.13 47.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.853 0.359 . . . . 0.0 111.231 -179.606 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 56.5 t30 -77.37 68.52 3.49 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.214 -175.782 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 53.8 p90 -98.6 30.49 3.24 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.193 167.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 91.5 p -66.36 -15.44 63.27 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.146 -173.42 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 87.5 p -65.12 -25.04 67.6 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.192 175.154 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 77.2 mm-40 -71.16 -35.17 71.54 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.163 176.343 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 52.2 m-85 -65.47 -38.77 90.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.214 171.712 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 79.0 tt0 -66.99 -36.58 82.48 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.15 178.121 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 34.7 m-70 -70.1 -30.0 67.11 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.192 175.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 57.3 tp -64.55 -46.77 81.38 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.2 179.182 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 28.1 m -72.29 -23.99 21.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.212 -179.515 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 82.6 mt-30 -68.51 -38.73 81.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.179 172.704 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -68.6 -32.3 72.09 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.224 177.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 74.7 mmt-85 -95.0 -16.58 22.64 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.238 -174.037 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 82.7 32.2 27.84 Favored Glycine 0 CA--C 1.523 0.575 0 N-CA-C 111.228 -0.749 . . . . 0.0 111.228 176.193 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -102.81 -164.67 26.02 Favored Glycine 0 CA--C 1.522 0.528 0 N-CA-C 111.216 -0.753 . . . . 0.0 111.216 -179.509 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 95.4 mm-40 -119.72 177.39 4.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.811 0.339 . . . . 0.0 111.151 179.834 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -167.03 150.08 6.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.176 178.401 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 41.3 tt0 -152.83 131.96 12.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.179 -177.593 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 35.3 t -78.75 131.17 36.46 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.205 172.697 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 84.9 mt-30 -136.56 145.01 44.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.202 -175.352 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -84.73 124.98 32.13 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.258 172.908 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.457 ' HB ' ' HB2' ' A' ' 77' ' ' CYS . 48.0 mm -112.39 134.82 21.47 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.273 -171.561 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . 0.437 ' HD3' ' HA ' ' A' ' 70' ' ' ILE . 76.9 Cg_exo -55.44 155.52 20.49 Favored 'Trans proline' 0 N--CA 1.457 -0.62 0 C-N-CA 121.68 1.586 . . . . 0.0 111.239 -176.375 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 96.6 mt -93.09 -47.35 13.77 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.235 176.748 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 99.5 m-20 -64.97 -43.27 93.17 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.147 -177.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 61.9 tp60 -78.17 -31.87 49.88 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.207 -176.163 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 95.7 m-85 -124.93 -59.96 1.39 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.189 -174.507 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 119.98 23.21 3.06 Favored Glycine 0 CA--C 1.523 0.552 0 N-CA-C 111.208 -0.757 . . . . 0.0 111.208 179.587 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' CYS . . . . . 0.457 ' HB2' ' HB ' ' A' ' 70' ' ' ILE . 66.4 m -115.1 165.96 12.34 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.766 0.317 . . . . 0.0 111.202 -172.168 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -104.3 -140.44 10.54 Favored Glycine 0 CA--C 1.523 0.588 0 N-CA-C 111.196 -0.762 . . . . 0.0 111.196 175.859 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 52.8 p-10 -106.61 22.94 15.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.823 0.344 . . . . 0.0 111.192 178.724 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 68.2 p -115.65 38.46 3.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.155 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -109.95 138.27 46.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.175 174.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 82.9 mtp180 -128.96 122.0 29.22 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.229 -177.766 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 63.9 tt0 -87.33 135.62 33.25 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.118 -179.89 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 95.1 m-85 -129.54 132.71 46.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.218 -177.635 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 96.0 t -103.55 117.92 49.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.187 -174.689 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 80.7 mt -129.61 167.55 17.78 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.157 -177.155 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 94.7 mmm 59.63 30.43 20.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.16 177.225 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 96.4 m-20 64.97 33.76 9.51 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.201 178.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 95.45 -2.16 64.89 Favored Glycine 0 CA--C 1.523 0.551 0 N-CA-C 111.238 -0.745 . . . . 0.0 111.238 176.164 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 99.7 mttt -83.6 -14.63 51.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.831 0.348 . . . . 0.0 111.21 -178.902 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.437 ' HG ' HG21 ' A' ' 93' ' ' VAL . 39.4 tp -126.02 126.21 43.91 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.218 178.634 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -112.13 92.57 4.08 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.242 -179.093 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . 0.437 HG21 ' HG ' ' A' ' 91' ' ' LEU . 99.2 t -97.86 119.65 46.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.218 -177.609 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 72.0 mt -118.74 119.88 62.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.122 179.638 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -87.29 134.61 12.59 Favored Glycine 0 CA--C 1.522 0.497 0 N-CA-C 111.253 -0.739 . . . . 0.0 111.253 178.842 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 96.9 m-85 -120.17 101.58 7.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.801 0.334 . . . . 0.0 111.186 -178.652 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 55.4 t0 -84.91 75.22 10.39 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.17 -175.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . 0.428 ' CZ ' ' HA ' ' A' ' 77' ' ' CYS . 45.7 p90 -176.17 172.97 2.26 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.142 174.276 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 86.6 p -64.85 -176.88 0.29 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.198 -177.398 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 47.4 p -75.05 70.35 2.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.147 -177.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -97.93 -3.12 39.09 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.2 179.431 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 71.8 mtm -82.15 65.05 7.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.243 -174.285 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 97.7 mm-40 -90.01 -4.86 57.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.257 -169.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 38.3 m -98.3 -38.38 9.28 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.182 173.046 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 90.1 mt -58.57 -48.66 84.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.258 171.613 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 13.1 tt -63.96 -13.88 14.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.232 -175.39 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 78.7 ttt-85 -87.13 -63.66 1.27 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.253 -178.415 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 58.5 m-20 -106.17 -34.77 7.42 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.209 -167.515 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' TYR . . . . . . . . . . . . . 76.5 m-85 -80.4 -41.9 23.75 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.192 -173.251 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 39.4 t -61.76 136.08 57.85 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.219 178.397 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 30.5 m-20 -116.09 -28.37 6.63 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.174 176.136 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 10.0 tt -138.62 130.92 28.6 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.166 172.38 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 84.3 t -95.1 126.65 47.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.212 -173.551 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 114' ' ' ILE . . . . . 0.435 HG12 ' HB ' ' A' ' 133' ' ' ILE . 84.1 mt -121.24 121.53 65.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.164 174.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 40.0 m -127.04 138.37 53.22 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.203 -179.72 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 116' ' ' HIS . . . . . 0.408 ' NE2' ' OG1' ' A' ' 15' ' ' THR . 74.8 t60 -93.58 131.48 38.81 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.204 173.041 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -61.22 126.3 26.86 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.257 179.057 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 121.12 21.6 3.09 Favored Glycine 0 CA--C 1.523 0.533 0 N-CA-C 111.234 -0.746 . . . . 0.0 111.234 -175.772 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 60.3 m -114.61 -48.23 2.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.745 0.307 . . . . 0.0 111.209 -175.441 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 102.07 -39.11 2.88 Favored Glycine 0 CA--C 1.522 0.514 0 N-CA-C 111.252 -0.739 . . . . 0.0 111.252 -177.04 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 82.4 p -70.48 -15.01 62.76 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.771 0.32 . . . . 0.0 111.183 179.669 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 122' ' ' ILE . . . . . . . . . . . . . 19.6 tt -51.13 -30.04 9.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.195 173.463 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 97.4 mt -65.0 -27.97 69.19 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.224 -176.333 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 68.6 m-20 -104.07 -23.32 13.32 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.164 -178.075 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 52.4 p -75.35 -18.05 60.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.222 -176.146 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . 0.423 HD12 HD11 ' A' ' 195' ' ' LEU . 85.4 mt -93.87 -0.48 55.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.229 -178.065 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 51.6 ptt85 -118.1 40.08 3.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.157 178.762 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 90.6 mt -107.67 5.08 26.48 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.196 -176.07 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 96.4 m-20 64.97 35.31 8.3 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.197 -178.393 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 50.8 mttm -127.54 158.2 70.61 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.225 177.062 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_exo -53.82 138.75 68.97 Favored 'Trans proline' 0 N--CA 1.458 -0.614 0 C-N-CA 121.722 1.615 . . . . 0.0 111.255 173.444 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 64.2 mt -122.54 124.46 43.59 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.187 -165.493 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 133' ' ' ILE . . . . . 0.435 ' HB ' HG12 ' A' ' 114' ' ' ILE . 82.7 mt -123.71 129.6 74.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.203 167.93 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 71.9 t -124.91 131.75 72.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.136 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 135' ' ' CYS . . . . . . . . . . . . . 52.7 t -108.25 124.75 50.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.174 179.198 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 28.7 m -78.63 168.86 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.204 -179.812 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 25.2 p30 -120.14 -176.19 3.15 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.206 -174.297 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 70.7 m-20 -95.32 -18.08 21.1 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.232 -174.202 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 66.8 p -75.93 -20.87 57.63 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.246 -178.213 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 92.1 mt -61.48 144.76 53.66 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.248 169.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 141' ' ' MET . . . . . . . . . . . . . 98.9 mtp -72.5 163.1 28.57 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.163 176.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 98.9 m-20 -54.7 -39.53 68.25 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.179 177.335 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 98.7 m-20 -69.51 -34.69 74.64 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.206 177.4 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 144' ' ' HIS . . . . . . . . . . . . . 57.7 m170 -64.11 -50.15 69.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.173 178.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 145' ' ' GLN . . . . . . . . . . . . . 92.7 mt-30 -61.82 -38.33 87.76 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.175 -178.464 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 146' ' ' GLN . . . . . . . . . . . . . 73.0 tp60 -66.54 -51.63 54.5 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.17 179.085 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 147' ' ' GLN . . . . . . . . . . . . . 99.5 mm-40 -73.73 -37.66 65.02 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.182 -172.168 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 148' ' ' ILE . . . . . . . . . . . . . 85.9 mt -64.82 -44.9 96.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.177 179.386 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -63.99 -39.44 94.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.197 177.04 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 93.4 m-20 -66.58 -37.64 85.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.217 178.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 151' ' ' LYS . . . . . . . . . . . . . 96.9 mttt -67.65 -40.63 84.55 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.198 176.749 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 152' ' ' PHE . . . . . . . . . . . . . 12.1 m-30 -59.91 -46.53 89.05 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.228 179.007 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 153' ' ' VAL . . . . . . . . . . . . . 75.3 t -73.63 -41.97 55.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.211 -179.286 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -55.58 -44.29 76.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.189 178.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 155' ' ' LEU . . . . . . . . . . . . . 95.4 mt -73.83 -41.43 62.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.128 178.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . 81.17 19.5 66.85 Favored Glycine 0 CA--C 1.523 0.555 0 N-CA-C 111.236 -0.746 . . . . 0.0 111.236 166.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 157' ' ' TYR . . . . . . . . . . . . . 79.8 m-85 -116.63 12.09 14.89 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.768 0.318 . . . . 0.0 111.216 179.126 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 158' ' ' VAL . . . . . . . . . . . . . 9.0 p -160.0 134.12 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.2 178.639 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 159' ' ' TRP . . . . . 0.483 ' HA ' ' CE3' ' A' ' 159' ' ' TRP . 3.7 m95 -79.31 139.99 37.67 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.216 176.511 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 160' ' ' SER . . . . . . . . . . . . . 46.7 t -100.7 110.74 22.88 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.199 177.91 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 161' ' ' CYS . . . . . . . . . . . . . 85.5 m -110.14 149.5 29.98 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.162 -179.415 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -93.6 158.4 36.79 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.188 175.695 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 163' ' ' PRO . . . . . . . . . . . . . 85.5 Cg_endo -74.94 66.1 5.98 Favored 'Trans proline' 0 N--CA 1.458 -0.585 0 C-N-CA 121.687 1.592 . . . . 0.0 111.229 176.863 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 164' ' ' THR . . . . . . . . . . . . . 13.7 t -150.73 179.25 8.36 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.208 -177.02 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 165' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -66.19 -32.5 73.96 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.267 -168.399 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 166' ' ' THR . . . . . . . . . . . . . 75.2 p -106.77 15.96 24.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.176 -176.413 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 167' ' ' GLY . . . . . . . . . . . . . . . -64.67 -51.75 48.95 Favored Glycine 0 CA--C 1.523 0.551 0 N-CA-C 111.21 -0.756 . . . . 0.0 111.21 179.666 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 168' ' ' LEU . . . . . . . . . . . . . 79.3 mt -80.32 -24.08 40.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.817 0.341 . . . . 0.0 111.192 -178.554 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 93.0 mt -64.62 -41.92 93.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.177 175.513 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 170' ' ' ALA . . . . . . . . . . . . . . . -62.53 -44.37 96.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.144 176.636 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 171' ' ' GLY . . . . . . . . . . . . . . . -66.61 -38.78 93.55 Favored Glycine 0 CA--C 1.522 0.53 0 N-CA-C 111.153 -0.779 . . . . 0.0 111.153 178.792 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 62.7 tp -63.0 -43.42 98.85 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.761 0.315 . . . . 0.0 111.184 179.095 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 173' ' ' ARG . . . . . . . . . . . . . 97.1 mtt180 -75.19 -28.28 59.95 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.185 178.112 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -64.04 -34.63 78.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.201 177.121 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 75.4 m -61.63 -30.12 70.5 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.214 176.559 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 176' ' ' GLN . . . . . . . . . . . . . 66.6 tt0 -75.2 -39.18 60.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.213 175.572 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 177' ' ' THR . . . . . . . . . . . . . 92.4 m -64.6 -53.82 41.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.235 -179.761 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 178' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -129.25 144.55 51.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.306 176.891 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 179' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -62.12 124.96 22.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.265 -178.759 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 180' ' ' LEU . . . . . . . . . . . . . 66.0 tp -89.37 114.39 25.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.234 -177.36 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 181' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -115.19 152.72 47.04 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.245 -176.135 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 182' ' ' PRO . . . . . . . . . . . . . 70.0 Cg_endo -72.67 164.55 35.26 Favored 'Trans proline' 0 N--CA 1.458 -0.576 0 C-N-CA 121.749 1.632 . . . . 0.0 111.171 178.758 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 183' ' ' PHE . . . . . . . . . . . . . 33.6 m-85 -68.69 137.54 90.51 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.171 175.786 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 184' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_endo -69.66 169.79 17.96 Favored 'Trans proline' 0 N--CA 1.458 -0.581 0 C-N-CA 121.765 1.643 . . . . 0.0 111.178 173.761 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 185' ' ' VAL . . . . . . . . . . . . . 33.3 m -67.67 -16.54 21.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.249 -177.902 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 186' ' ' SER . . . . . . . . . . . . . 95.4 p -80.89 -16.88 52.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.164 178.283 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 187' ' ' HIS . . . . . . . . . . . . . 60.4 m170 -106.92 2.57 25.41 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.175 -176.899 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 188' ' ' ASN . . . . . 0.461 ' N ' ' HD2' ' A' ' 189' ' ' PRO . 98.4 m-20 -69.92 -50.94 15.85 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.248 173.675 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 189' ' ' PRO . . . . . 0.461 ' HD2' ' N ' ' A' ' 188' ' ' ASN . 84.9 Cg_endo -76.61 -12.59 18.4 Favored 'Trans proline' 0 N--CA 1.458 -0.578 0 C-N-CA 121.733 1.622 . . . . 0.0 111.156 177.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 190' ' ' SER . . . . . . . . . . . . . 71.1 m -78.1 -5.76 52.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.195 178.209 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 191' ' ' PHE . . . . . 0.431 ' HA ' ' HB3' ' A' ' 194' ' ' LEU . 17.9 m-30 -63.64 -20.32 65.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.154 176.527 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 192' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -58.18 -49.85 75.58 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.188 175.043 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 193' ' ' ARG . . . . . . . . . . . . . 39.2 mmt180 -89.85 -17.4 28.16 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.203 -175.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 194' ' ' LEU . . . . . 0.431 ' HB3' ' HA ' ' A' ' 191' ' ' PHE . 62.8 tp -80.73 -57.56 3.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.23 177.721 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 195' ' ' LEU . . . . . 0.423 HD11 HD12 ' A' ' 126' ' ' LEU . 71.3 mt -108.81 -44.88 3.92 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.195 -167.302 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 196' ' ' VAL . . . . . . . . . . . . . 74.7 t -70.81 -40.76 77.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.203 -174.58 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 197' ' ' GLU . . . . . . . . . . . . . 43.8 tt0 -64.2 -41.1 97.21 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.216 179.822 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 198' ' ' THR . . . . . . . . . . . . . 71.0 p -95.65 -56.48 2.67 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.199 -170.543 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 199' ' ' ILE . . . . . . . . . . . . . 95.8 mt -82.34 -50.21 16.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.193 -171.065 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 200' ' ' TYR . . . . . . . . . . . . . 63.7 m-85 -105.77 34.92 3.07 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.214 -172.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 201' ' ' SER . . . . . . . . . . . . . 43.4 t . . . . . 0 C--O 1.2 -1.517 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.191 178.491 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.576 0 N-CA-C 111.169 -0.772 . . . . 0.0 111.169 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 44.8 pt -115.01 15.01 8.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-O 120.766 0.317 . . . . 0.0 111.189 179.852 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 38.7 mm -104.09 127.7 58.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.157 -177.014 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 88.9 tt0 -54.11 140.0 33.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.245 175.074 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . 0.401 ' HA ' ' HB ' ' A' ' 40' ' ' VAL . 95.2 mt-10 -97.75 80.73 2.81 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.183 -174.355 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -85.25 159.91 19.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.181 166.468 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -100.48 114.1 27.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.201 -171.84 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 49.9 tp -102.45 119.91 39.62 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.218 170.518 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 40.2 t80 -104.68 120.17 40.72 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.174 178.691 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 97.1 t -114.85 128.89 71.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.148 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 11.8 t -138.75 150.2 45.87 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.194 178.776 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 72.4 m -125.11 155.0 40.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.189 -173.824 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -79.24 173.79 55.27 Favored Glycine 0 CA--C 1.524 0.612 0 N-CA-C 111.169 -0.772 . . . . 0.0 111.169 170.914 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -93.37 -9.76 37.62 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.736 0.303 . . . . 0.0 111.152 -178.581 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 98.7 m -65.4 -43.88 89.22 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.189 -177.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.401 ' HA ' ' HD3' ' A' ' 17' ' ' PRO . 66.1 t -112.68 133.98 21.77 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.17 -178.633 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.401 ' HD3' ' HA ' ' A' ' 16' ' ' VAL . 88.3 Cg_exo -51.71 142.74 40.11 Favored 'Trans proline' 0 N--CA 1.459 -0.545 0 C-N-CA 121.667 1.578 . . . . 0.0 111.229 -179.194 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . 0.534 ' HB3' ' HD3' ' A' ' 19' ' ' PRO . 81.6 t80 -58.15 -43.82 98.7 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.22 -177.755 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . 0.534 ' HD3' ' HB3' ' A' ' 18' ' ' PHE . 83.0 Cg_exo -53.89 -31.36 62.44 Favored 'Trans proline' 0 N--CA 1.459 -0.532 0 C-N-CA 121.595 1.53 . . . . 0.0 111.224 -179.029 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 97.4 mttt -85.56 -31.66 22.56 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.211 -176.397 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 92.0 mt -82.04 -33.98 29.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.24 -179.294 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 6.6 p -70.96 -17.27 20.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.148 -175.677 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 85.4 p -63.69 -17.21 62.74 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.156 -178.201 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 99.4 m -83.75 -15.01 50.17 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.155 -178.389 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 26.9 m -119.97 12.29 6.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.249 -177.486 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 94.2 mt -108.57 2.3 22.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.188 174.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 3.9 t -60.1 140.0 57.15 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.174 177.282 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 98.1 m-20 -63.24 -35.11 79.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.22 175.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 77.8 mm-40 -75.12 -36.67 61.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.156 177.662 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.413 ' CE2' HD11 ' A' ' 34' ' ' LEU . 82.6 t80 -55.97 -51.09 68.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.206 175.71 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 98.5 m -76.45 -29.06 56.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.19 -176.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 68.9 tp60 -65.1 -31.49 72.72 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.153 177.688 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 69.6 mm-40 -79.7 -38.25 33.91 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.244 179.05 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.413 HD11 ' CE2' ' A' ' 30' ' ' PHE . 36.3 mt -54.54 -41.26 69.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.232 -178.761 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 48.1 pt -76.41 -7.57 10.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.203 -177.168 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 65.6 mt-30 -94.86 -5.67 44.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.258 173.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 30.1 m-85 -110.99 -10.36 14.38 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.179 172.166 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 94.66 33.55 6.69 Favored Glycine 0 CA--C 1.524 0.631 0 N-CA-C 111.228 -0.749 . . . . 0.0 111.228 173.488 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 84.4 m-85 -99.19 130.2 45.48 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.822 0.344 . . . . 0.0 111.208 174.594 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.401 ' HB ' ' HA ' ' A' ' 5' ' ' GLU . 81.7 t -133.15 -40.03 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.233 177.288 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 97.1 mtt180 -82.97 109.95 17.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.184 -173.164 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.455 HD21 HG23 ' A' ' 93' ' ' VAL . 63.3 tp -107.68 111.28 23.41 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.187 -178.42 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 84.3 mt -101.83 117.96 47.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.135 176.815 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 92.8 mt -112.8 123.33 68.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.22 -173.895 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 66.5 tt0 -98.75 145.04 27.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.219 176.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 46.6 p90 -153.66 163.73 39.5 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.224 172.161 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -106.28 -135.77 8.16 Favored Glycine 0 CA--C 1.523 0.58 0 N-CA-C 111.197 -0.761 . . . . 0.0 111.197 -173.485 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 98.1 mtt180 -109.09 -32.52 7.2 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.813 0.339 . . . . 0.0 111.21 179.206 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 99.3 m-20 -72.4 -17.02 61.84 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.188 177.328 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 33.1 p90 -149.02 155.03 40.19 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.157 178.268 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 91.4 p -144.39 160.31 41.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.173 -171.795 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 40.8 t -107.62 119.33 39.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.214 179.167 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 88.1 tt0 -144.89 120.67 10.55 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.154 -179.605 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 76.5 m-85 -121.41 26.8 8.65 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.186 -177.503 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 69.1 mm-40 -54.35 -52.89 60.16 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.178 -179.583 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 86.3 t60 -66.11 -42.63 88.96 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.251 -179.402 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 66.4 tp -53.98 -51.95 62.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.206 -179.585 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 54.8 t -69.46 -40.04 79.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.228 -177.484 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 71.6 tp60 -64.67 -35.06 79.82 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.185 179.509 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -69.62 -42.33 74.49 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.185 177.008 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 94.9 mtt-85 -73.52 -24.27 60.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.196 179.65 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 84.99 31.94 22.1 Favored Glycine 0 CA--C 1.523 0.563 0 N-CA-C 111.262 -0.735 . . . . 0.0 111.262 -179.859 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -94.9 -162.2 34.63 Favored Glycine 0 CA--C 1.522 0.516 0 N-CA-C 111.25 -0.74 . . . . 0.0 111.25 -179.216 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 97.3 mm-40 -113.73 161.8 17.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.738 0.304 . . . . 0.0 111.241 179.511 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 33.2 ptt-85 -160.01 144.78 14.88 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.226 176.046 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -162.45 143.49 10.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.24 -171.519 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 75.0 m -83.19 124.96 31.04 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.175 171.805 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 80.1 mt-30 -133.47 153.32 51.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.202 -175.063 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -113.05 104.85 12.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.182 -174.151 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 65.9 mt -119.97 128.86 25.64 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.215 -175.034 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . 0.402 ' HB2' ' HB2' ' A' ' 74' ' ' GLN . 77.7 Cg_exo -52.47 117.92 4.14 Favored 'Trans proline' 0 N--CA 1.458 -0.568 0 C-N-CA 121.658 1.572 . . . . 0.0 111.22 179.899 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 94.6 mt -63.83 -41.88 94.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.21 176.025 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 16.0 p-10 -76.53 -11.4 59.87 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.205 -169.303 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . 0.402 ' HB2' ' HB2' ' A' ' 71' ' ' PRO . 98.6 mm-40 -110.06 -30.86 7.59 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.217 -177.411 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 99.0 m-85 -121.12 -35.03 3.38 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.262 -174.149 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 97.95 -1.37 59.45 Favored Glycine 0 CA--C 1.524 0.602 0 N-CA-C 111.199 -0.761 . . . . 0.0 111.199 -176.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 72.3 m -94.08 158.07 15.79 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.796 0.331 . . . . 0.0 111.203 177.86 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -65.0 140.6 42.21 Favored Glycine 0 CA--C 1.524 0.632 0 N-CA-C 111.215 -0.754 . . . . 0.0 111.215 -168.039 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 92.7 m-20 -65.53 -26.22 67.79 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.783 0.325 . . . . 0.0 111.175 177.11 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 66.6 p -135.01 69.94 1.44 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.185 169.303 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -95.93 156.11 16.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.18 -168.634 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 22.3 tpt180 -100.04 112.14 24.44 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.229 173.795 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . 0.48 ' HA ' ' O ' ' A' ' 93' ' ' VAL . 32.9 tt0 -93.13 133.13 36.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.21 -176.427 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . 0.506 ' HB2' ' HB ' ' A' ' 93' ' ' VAL . 98.5 m-85 -121.14 139.99 52.6 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.185 173.892 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 91.6 t -102.5 113.97 40.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.211 -179.511 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 93.5 mt -123.88 166.36 15.77 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.245 179.197 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 98.6 mmm 60.52 30.02 19.44 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.246 176.503 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 96.4 m-20 64.98 34.24 9.1 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.246 177.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 94.84 -3.56 67.69 Favored Glycine 0 CA--C 1.523 0.555 0 N-CA-C 111.192 -0.763 . . . . 0.0 111.192 176.248 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 99.7 mttt -80.08 -19.87 46.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.872 0.367 . . . . 0.0 111.21 -178.897 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 69.0 tp -119.73 118.8 31.85 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.184 174.379 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -104.06 99.2 8.94 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.151 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . 0.506 ' HB ' ' HB2' ' A' ' 84' ' ' TYR . 58.1 t -88.11 127.59 41.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.172 -171.839 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 67.8 mt -124.96 95.59 3.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.22 -178.073 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -89.7 131.18 10.59 Favored Glycine 0 CA--C 1.524 0.628 0 N-CA-C 111.184 -0.766 . . . . 0.0 111.184 179.78 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 82.8 t80 -166.34 143.43 5.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.822 0.344 . . . . 0.0 111.155 176.756 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 60.3 t0 -77.79 103.71 7.89 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.2 177.631 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 95.3 m-85 -95.91 149.98 20.94 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.208 -179.353 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 82.3 p -96.1 175.34 6.5 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.211 172.701 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 87.0 m -63.18 -33.62 75.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.192 176.201 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -65.03 -29.17 70.05 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.168 173.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 64.6 mtt -84.42 -21.78 30.63 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.182 177.598 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 93.5 mt-30 -66.69 -39.14 87.97 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.216 171.481 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 86.7 p -69.37 -15.05 63.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.188 177.328 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 96.6 mt -88.91 -46.77 15.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.22 173.648 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 87.2 mt -65.2 -30.24 49.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.249 -176.41 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 39.2 ptt180 -61.07 -19.32 61.27 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.209 179.124 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 71.5 m-20 -89.75 -18.72 25.8 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.152 176.913 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' TYR . . . . . . . . . . . . . 59.5 m-85 -119.97 67.23 0.82 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.225 -179.84 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 43.4 t -156.69 143.25 18.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.223 -177.418 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 60.9 m-20 -109.73 -31.66 7.37 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.192 174.756 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 54.7 tp -141.44 135.58 30.45 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.261 174.561 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 97.7 t -112.81 138.67 41.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.156 175.699 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 93.9 mt -121.84 129.53 75.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.23 171.42 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 32.4 t -118.94 119.78 35.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.217 -174.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 98.5 m-70 -98.07 119.64 37.06 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.24 -179.057 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . 54.19 44.25 29.41 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.207 175.283 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -166.7 157.46 29.95 Favored Glycine 0 CA--C 1.524 0.596 0 N-CA-C 111.181 -0.768 . . . . 0.0 111.181 178.857 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 69.4 p -131.83 -6.55 3.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.726 0.298 . . . . 0.0 111.168 179.898 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -64.52 -29.62 75.63 Favored Glycine 0 CA--C 1.523 0.564 0 N-CA-C 111.159 -0.776 . . . . 0.0 111.159 -178.663 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 82.6 p -71.32 -20.02 62.24 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.793 0.33 . . . . 0.0 111.155 -179.72 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 122' ' ' ILE . . . . . 0.479 ' HA ' HD13 ' A' ' 132' ' ' LEU . 94.8 mt -64.95 -33.44 63.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.169 -177.081 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 61.4 tp -46.49 -52.39 13.36 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.201 -178.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 90.9 m-20 -68.43 -45.66 71.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.146 -176.715 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 23.0 t -61.98 -57.52 11.38 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.208 -169.581 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 73.6 mt -73.66 -26.36 60.71 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.257 -173.634 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 77.2 ttt180 -63.42 -29.99 71.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.136 175.176 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 88.8 mt -97.26 9.47 42.16 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.247 177.345 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 96.3 m-20 65.01 35.06 8.37 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.152 178.047 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 130' ' ' LYS . . . . . 0.444 ' HA ' ' HD3' ' A' ' 131' ' ' PRO . 95.9 mttt -110.41 137.75 20.74 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.191 179.68 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 131' ' ' PRO . . . . . 0.444 ' HD3' ' HA ' ' A' ' 130' ' ' LYS . 50.3 Cg_exo -60.67 143.65 99.44 Favored 'Trans proline' 0 N--CA 1.458 -0.59 0 C-N-CA 121.717 1.611 . . . . 0.0 111.227 -176.732 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 132' ' ' LEU . . . . . 0.479 HD13 ' HA ' ' A' ' 122' ' ' ILE . 9.0 tt -137.57 138.91 40.06 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.177 172.185 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 68.0 mt -116.77 132.14 67.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.164 177.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 89.7 t -95.83 100.12 10.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.159 173.383 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 135' ' ' CYS . . . . . . . . . . . . . 88.1 m -98.2 128.36 44.63 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.228 176.3 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 35.9 m -125.27 157.85 33.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.241 -179.117 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 53.3 p30 -100.57 -166.14 1.29 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.201 179.632 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 57.5 p-10 -95.33 16.31 17.1 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.189 -169.641 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 51.8 p -77.04 -19.27 57.38 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.187 174.785 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 89.4 mt -87.38 152.1 22.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.13 176.764 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 141' ' ' MET . . . . . . . . . . . . . 58.7 ttm -62.52 142.15 58.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.186 174.541 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 98.8 m-20 -50.76 -40.04 53.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.182 -178.748 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 99.5 m-20 -64.94 -35.78 82.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.218 177.078 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 144' ' ' HIS . . . . . . . . . . . . . 57.8 m170 -73.51 -32.88 64.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.17 -179.381 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 145' ' ' GLN . . . . . . . . . . . . . 79.9 mt-30 -65.0 -43.29 93.04 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.193 177.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 146' ' ' GLN . . . . . . . . . . . . . 72.8 tp60 -69.96 -37.11 75.7 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.23 175.778 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 147' ' ' GLN . . . . . 0.459 ' NE2' ' O ' ' A' ' 201' ' ' SER . 29.8 tt0 -57.75 -34.6 69.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.2 -179.033 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 148' ' ' ILE . . . . . 0.412 HG12 ' HA ' ' A' ' 199' ' ' ILE . 84.5 mt -56.79 -58.11 6.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.264 178.08 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -68.2 -31.58 71.21 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.184 -175.831 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 85.4 m-20 -51.18 -45.11 61.68 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.209 -174.737 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 151' ' ' LYS . . . . . 0.47 ' HD3' ' HA ' ' A' ' 151' ' ' LYS . 48.1 mmtt -100.03 -35.03 9.84 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.172 -173.54 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 152' ' ' PHE . . . . . . . . . . . . . 9.8 m-30 -65.72 -32.65 74.31 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.194 -178.637 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 153' ' ' VAL . . . . . . . . . . . . . 90.5 t -94.18 -39.98 11.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.233 -178.329 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 86.7 tt0 -53.44 -44.58 68.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.142 175.387 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 155' ' ' LEU . . . . . . . . . . . . . 96.4 mt -75.44 -24.84 57.09 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.306 -0.407 . . . . 0.0 111.191 177.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . 75.34 41.89 29.55 Favored Glycine 0 CA--C 1.524 0.625 0 N-CA-C 111.179 -0.768 . . . . 0.0 111.179 179.335 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 157' ' ' TYR . . . . . . . . . . . . . 13.6 m-30 -108.61 -39.9 5.25 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.865 0.364 . . . . 0.0 111.257 -172.566 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 158' ' ' VAL . . . . . . . . . . . . . 10.4 p -156.3 146.39 11.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.16 -178.243 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 159' ' ' TRP . . . . . . . . . . . . . 51.7 m95 -82.85 162.56 21.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.183 -176.648 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 160' ' ' SER . . . . . . . . . . . . . 40.8 t -140.6 138.87 34.73 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.213 -177.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 161' ' ' CYS . . . . . . . . . . . . . 62.0 m -128.37 130.8 48.25 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.199 -177.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -86.42 159.14 53.72 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.168 171.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 163' ' ' PRO . . . . . . . . . . . . . 98.5 Cg_endo -76.38 65.36 7.25 Favored 'Trans proline' 0 N--CA 1.458 -0.586 0 C-N-CA 121.746 1.63 . . . . 0.0 111.144 -179.237 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 164' ' ' THR . . . . . . . . . . . . . 35.9 p -134.97 174.77 10.23 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.231 176.441 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 165' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -64.96 -31.08 72.14 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.172 -174.348 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 166' ' ' THR . . . . . . . . . . . . . 82.3 p -106.92 -24.27 12.08 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.215 -179.066 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 167' ' ' GLY . . . . . . . . . . . . . . . -67.81 -35.63 85.48 Favored Glycine 0 CA--C 1.523 0.55 0 N-CA-C 111.236 -0.746 . . . . 0.0 111.236 -177.573 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 168' ' ' LEU . . . . . . . . . . . . . 95.7 mt -77.02 -10.58 59.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.794 0.33 . . . . 0.0 111.197 -176.872 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 46.1 pt -120.63 -3.77 9.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.191 179.723 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 170' ' ' ALA . . . . . . . . . . . . . . . -62.18 -42.07 98.93 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.17 175.551 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 171' ' ' GLY . . . . . . . . . . . . . . . -70.35 -34.51 68.82 Favored Glycine 0 CA--C 1.523 0.587 0 N-CA-C 111.171 -0.772 . . . . 0.0 111.171 177.7 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 80.3 mt -63.99 -36.17 83.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.814 0.34 . . . . 0.0 111.221 179.141 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 173' ' ' ARG . . . . . . . . . . . . . 17.5 tpp85 -79.82 -36.48 36.85 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.239 175.44 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -66.42 -27.91 68.2 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.162 -178.661 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 41.6 p -60.06 -24.93 64.97 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.198 178.811 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 176' ' ' GLN . . . . . . . . . . . . . 90.6 mm-40 -102.51 7.0 40.27 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.215 -178.765 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 177' ' ' THR . . . . . . . . . . . . . 88.7 m -104.11 -52.1 3.01 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.205 -175.022 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 178' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -129.63 151.26 50.43 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.233 -178.511 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 179' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -86.67 134.38 33.61 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.15 178.273 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 180' ' ' LEU . . . . . . . . . . . . . 99.2 mt -85.3 147.09 26.72 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.204 -178.697 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 181' ' ' LYS . . . . . 0.411 ' HA ' ' HD3' ' A' ' 182' ' ' PRO . 99.4 mttt -110.52 150.0 41.05 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.242 172.516 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 182' ' ' PRO . . . . . 0.411 ' HD3' ' HA ' ' A' ' 181' ' ' LYS . 39.2 Cg_exo -62.49 151.79 81.0 Favored 'Trans proline' 0 N--CA 1.459 -0.549 0 C-N-CA 121.691 1.594 . . . . 0.0 111.185 -178.774 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 183' ' ' PHE . . . . . . . . . . . . . 45.5 m-85 -69.82 150.44 96.52 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.164 169.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 184' ' ' PRO . . . . . . . . . . . . . 60.7 Cg_endo -63.8 -20.36 68.44 Favored 'Trans proline' 0 N--CA 1.458 -0.589 0 C-N-CA 121.734 1.623 . . . . 0.0 111.171 169.461 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 185' ' ' VAL . . . . . . . . . . . . . 90.9 t -74.96 125.02 33.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.238 177.805 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 186' ' ' SER . . . . . . . . . . . . . 82.0 p -117.92 5.94 12.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.19 179.525 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 187' ' ' HIS . . . . . . . . . . . . . 92.3 m-70 -120.71 143.52 48.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.228 -176.715 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 188' ' ' ASN . . . . . 0.486 ' N ' ' CD ' ' A' ' 189' ' ' PRO . 97.8 m-20 -68.63 -46.55 35.01 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.146 -178.597 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 189' ' ' PRO . . . . . 0.486 ' CD ' ' N ' ' A' ' 188' ' ' ASN . 53.8 Cg_exo -54.96 -34.38 86.32 Favored 'Trans proline' 0 N--CA 1.457 -0.632 0 C-N-CA 121.71 1.607 . . . . 0.0 111.229 177.072 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 190' ' ' SER . . . . . . . . . . . . . 71.9 m -78.62 -31.1 46.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.183 -179.855 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 191' ' ' PHE . . . . . . . . . . . . . 6.7 m-85 -65.99 -33.64 76.27 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.151 172.106 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 192' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -63.89 -36.42 83.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.182 176.091 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 193' ' ' ARG . . . . . . . . . . . . . 80.2 ttt180 -64.93 -45.82 84.22 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.151 173.646 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 194' ' ' LEU . . . . . . . . . . . . . 59.0 tp -57.03 -44.99 83.43 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.161 173.697 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 195' ' ' LEU . . . . . . . . . . . . . 44.3 tp -54.8 -51.25 66.38 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.223 179.362 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 196' ' ' VAL . . . . . . . . . . . . . 62.7 t -66.29 -47.19 85.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.22 -176.443 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 197' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -73.15 -35.12 66.41 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.203 -169.387 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 198' ' ' THR . . . . . . . . . . . . . 96.9 m -97.95 -51.36 4.08 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.185 -171.717 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 199' ' ' ILE . . . . . 0.412 ' HA ' HG12 ' A' ' 148' ' ' ILE . 96.2 mt -87.61 -54.66 7.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.206 -169.917 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 200' ' ' TYR . . . . . . . . . . . . . 16.5 m-30 -69.78 -50.2 45.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.209 -175.119 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 201' ' ' SER . . . . . 0.459 ' O ' ' NE2' ' A' ' 147' ' ' GLN . 41.1 t . . . . . 0 C--O 1.201 -1.482 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.22 178.845 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.608 0 N-CA-C 111.195 -0.762 . . . . 0.0 111.195 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . 0.433 ' HA ' ' HA3' ' A' ' 38' ' ' GLY . 93.2 mt -66.35 -31.78 55.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-O 120.86 0.362 . . . . 0.0 111.253 -177.068 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 46.9 pt -79.04 -11.88 13.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.236 -177.739 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -94.61 155.08 17.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.203 178.589 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 -85.99 97.51 10.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.176 178.814 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 75.0 mmtt -89.06 157.6 18.28 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.167 -177.094 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -122.18 134.57 54.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.155 -175.822 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 95.1 mt -97.93 143.25 28.71 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.238 174.653 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 1.2 t80 -118.06 94.97 4.7 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.196 177.458 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 93.9 t -100.23 122.87 52.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.275 -174.441 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 98.9 m -130.93 130.06 42.97 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.154 173.799 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 81.0 m -114.97 145.02 42.68 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.26 -178.109 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -79.88 172.33 54.8 Favored Glycine 0 CA--C 1.523 0.55 0 N-CA-C 111.179 -0.768 . . . . 0.0 111.179 176.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -93.34 -14.18 27.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.758 0.313 . . . . 0.0 111.141 -177.917 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 98.3 m -57.45 -49.51 76.02 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.223 -179.319 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.458 ' HB ' HD11 ' A' ' 21' ' ' LEU . 87.8 t -96.65 135.4 22.3 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.208 175.239 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 74.5 Cg_exo -46.67 132.21 16.45 Favored 'Trans proline' 0 N--CA 1.457 -0.662 0 C-N-CA 121.644 1.563 . . . . 0.0 111.259 -178.421 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . 0.561 ' N ' ' CD ' ' A' ' 19' ' ' PRO . 41.7 m-85 -63.52 -40.59 59.63 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.209 -175.678 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . 0.561 ' CD ' ' N ' ' A' ' 18' ' ' PHE . 87.4 Cg_exo -51.65 -32.41 44.74 Favored 'Trans proline' 0 N--CA 1.458 -0.588 0 C-N-CA 121.789 1.66 . . . . 0.0 111.165 178.376 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 97.4 mttt -78.49 -28.52 46.4 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.192 177.47 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.458 HD11 ' HB ' ' A' ' 16' ' ' VAL . 89.4 mt -91.6 -5.12 54.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.252 -171.798 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 33.0 m -104.21 -12.74 9.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.244 175.78 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 75.7 p -68.68 -16.33 63.79 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.158 179.83 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 73.2 m -86.93 -15.92 37.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.25 -178.109 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 35.5 m -117.07 -7.97 12.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.238 -175.633 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.409 ' HB3' ' HD2' ' A' ' 61' ' ' ARG . 97.5 mt -111.99 5.2 18.63 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.203 -178.245 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 52.4 p -73.69 151.51 40.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.141 -178.407 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 98.8 m-20 -66.01 -35.24 80.02 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.185 -176.542 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 77.2 mm-40 -70.25 -42.65 71.91 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.213 178.1 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.423 ' CE2' HD11 ' A' ' 34' ' ' LEU . 90.0 t80 -59.68 -51.4 69.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.152 -178.598 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 84.4 m -63.0 -31.67 72.86 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.165 -173.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 65.4 tt0 -76.58 -39.66 51.96 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.178 179.832 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 65.6 mm-40 -64.66 -30.93 71.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.226 -177.528 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.423 HD11 ' CE2' ' A' ' 30' ' ' PHE . 86.2 mt -56.11 -33.0 64.7 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.224 178.866 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 95.8 mt -61.25 -39.87 84.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.183 -175.442 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 86.5 mt-30 -84.07 -13.37 53.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.131 -178.371 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 14.9 m-30 -87.9 -26.08 22.92 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.229 177.725 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . 0.433 ' HA3' ' HA ' ' A' ' 2' ' ' ILE . . . 101.53 13.78 31.76 Favored Glycine 0 CA--C 1.524 0.595 0 N-CA-C 111.142 -0.783 . . . . 0.0 111.142 179.715 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 64.8 m-85 -94.62 124.84 38.9 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.754 0.311 . . . . 0.0 111.18 179.893 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 98.4 t -120.11 -40.04 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.179 -176.883 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 43.5 ttp180 -96.04 129.93 43.18 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.203 179.865 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 64.0 tp -123.65 107.05 11.07 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.284 175.283 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 91.3 mt -103.58 122.59 56.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.175 -178.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 80.6 mt -114.84 116.1 51.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.189 -178.369 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 14.2 tm0? -109.98 104.06 12.91 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.18 -172.694 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 19.3 m-30 -110.72 178.22 4.43 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.284 178.123 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -83.91 -136.48 3.11 Favored Glycine 0 CA--C 1.524 0.639 0 N-CA-C 111.194 -0.763 . . . . 0.0 111.194 -172.685 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . 0.404 ' O ' ' CB ' ' A' ' 49' ' ' ASN . 79.4 ttt180 -74.03 88.32 1.89 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.783 0.325 . . . . 0.0 111.231 -168.393 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . 0.404 ' CB ' ' O ' ' A' ' 48' ' ' ARG . 97.0 m-20 87.12 86.15 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.162 167.24 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 97.3 m-85 -138.76 -21.71 0.98 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.23 171.692 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 50.0 m -55.97 -31.02 62.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.188 175.422 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 90.8 p -74.27 -19.68 60.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.218 179.176 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 76.6 mm-40 -81.36 -31.98 33.11 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.213 174.606 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.434 ' HA ' ' HB2' ' A' ' 57' ' ' LEU . 37.2 m-85 -65.18 -20.43 66.44 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.197 175.72 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -59.78 -29.4 68.17 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.201 176.162 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 97.5 m-70 -104.43 -21.36 13.48 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.196 -177.801 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.434 ' HB2' ' HA ' ' A' ' 54' ' ' PHE . 87.5 mt -66.45 -39.93 89.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.211 174.207 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 6.4 p -69.17 -25.47 29.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.173 177.314 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 91.2 mt-30 -72.03 -35.57 69.42 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.202 175.37 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -71.52 -31.28 66.89 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.231 173.227 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . 0.409 ' HD2' ' HB3' ' A' ' 26' ' ' LEU . 5.7 mmp_? -79.99 -25.9 40.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.235 179.572 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 86.87 30.64 20.16 Favored Glycine 0 CA--C 1.524 0.594 0 N-CA-C 111.224 -0.751 . . . . 0.0 111.224 177.339 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -95.3 -165.83 35.17 Favored Glycine 0 CA--C 1.523 0.583 0 N-CA-C 111.254 -0.738 . . . . 0.0 111.254 178.871 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 64.3 tp60 -125.12 120.03 30.26 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.769 0.318 . . . . 0.0 111.211 177.503 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 67.1 ttp85 -80.08 128.82 33.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.208 174.428 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 56.7 mt-10 -141.92 60.9 1.47 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.203 177.585 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 30.8 t -60.93 129.89 43.7 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.149 -176.556 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 92.4 mm-40 -112.99 165.01 12.75 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.221 177.261 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -84.95 81.64 8.81 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.214 176.018 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.431 ' HA ' ' HD3' ' A' ' 71' ' ' PRO . 97.4 mt -61.91 122.6 73.05 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.218 -173.336 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . 0.431 ' HD3' ' HA ' ' A' ' 70' ' ' ILE . 53.0 Cg_exo -59.95 146.4 95.98 Favored 'Trans proline' 0 N--CA 1.458 -0.574 0 C-N-CA 121.69 1.593 . . . . 0.0 111.201 -179.163 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 96.7 mt -74.03 -42.09 52.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.247 173.147 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 98.9 m-20 -67.05 -35.02 78.96 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.139 -177.512 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 64.8 tp60 -77.38 -61.09 2.1 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.212 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 56.0 t80 -101.56 -59.72 1.65 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.234 -178.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 123.15 39.53 0.51 Allowed Glycine 0 CA--C 1.523 0.556 0 N-CA-C 111.167 -0.773 . . . . 0.0 111.167 -173.718 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 12.0 t -140.05 -174.7 4.0 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.821 0.343 . . . . 0.0 111.149 179.464 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -127.16 -134.0 3.89 Favored Glycine 0 CA--C 1.523 0.552 0 N-CA-C 111.194 -0.763 . . . . 0.0 111.194 176.538 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 53.3 p-10 -104.96 23.76 13.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.77 0.319 . . . . 0.0 111.219 177.669 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 59.5 p -93.8 -18.25 22.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.233 179.72 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -77.3 159.52 29.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.196 178.034 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 90.1 mmt-85 -131.35 120.02 22.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.146 -179.837 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 81.7 mt-30 -95.71 140.91 29.83 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.221 -179.352 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 76.9 m-85 -136.21 135.89 39.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.243 -175.661 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 97.5 t -103.27 117.7 49.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.24 178.621 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 91.2 mt -122.73 160.35 26.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.214 177.869 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 84.6 mmm 61.96 29.96 17.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.21 175.177 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 96.5 m-20 65.02 34.71 8.62 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.218 177.185 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 96.17 -0.88 62.36 Favored Glycine 0 CA--C 1.523 0.584 0 N-CA-C 111.213 -0.755 . . . . 0.0 111.213 174.599 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -82.1 -20.85 37.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.814 0.34 . . . . 0.0 111.157 -178.843 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 67.2 tp -127.45 120.51 28.56 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.168 175.871 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 47.1 tptt -104.1 111.06 23.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.151 176.78 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 57.7 t -110.14 124.99 67.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.162 -177.588 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 60.0 mt -126.41 122.84 62.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.207 -179.625 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -93.22 140.07 14.89 Favored Glycine 0 CA--C 1.524 0.619 0 N-CA-C 111.182 -0.767 . . . . 0.0 111.182 178.519 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 91.5 m-85 -125.56 149.76 48.06 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.828 0.347 . . . . 0.0 111.168 176.655 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 96.2 m-20 -104.31 32.25 4.14 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.208 173.433 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 7.5 m-30 -64.97 147.22 53.84 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.223 -173.565 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 60.3 p -74.9 -177.27 3.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.262 177.823 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 75.8 p -73.81 -7.23 51.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.238 174.149 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 96.4 mttt -98.75 -40.51 8.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.235 173.586 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 92.2 mtp -74.96 -15.28 60.68 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.168 -176.729 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 29.7 pt20 -63.65 -20.01 65.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.198 -179.679 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 93.3 p -66.16 -22.05 66.35 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.269 176.508 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 96.0 mt -66.6 -55.37 18.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.139 173.518 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 82.2 mt -61.77 -33.31 57.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.21 179.61 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 61.1 ttp180 -48.01 -39.64 20.28 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.211 177.161 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 98.0 m-20 -77.05 -9.85 58.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.149 -173.523 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' TYR . . . . . . . . . . . . . 77.6 m-85 -115.27 40.72 2.61 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.14 -175.723 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 87.2 p -140.02 154.82 47.23 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.176 -173.384 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 54.3 m-20 -116.7 -31.09 5.6 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.165 175.819 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . 0.405 ' C ' HD21 ' A' ' 112' ' ' LEU . 10.4 tt -138.22 130.06 28.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.181 177.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 95.8 t -103.6 135.36 41.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.191 -172.698 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 80.7 mt -126.9 116.77 45.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.19 -176.355 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 21.1 t -107.69 116.25 31.6 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.172 -176.03 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 116' ' ' HIS . . . . . 0.413 ' HB3' HD23 ' A' ' 21' ' ' LEU . 43.4 m170 -101.35 123.71 45.86 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.2 178.596 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . 52.86 47.8 23.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.214 172.499 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 178.37 171.35 41.59 Favored Glycine 0 CA--C 1.522 0.516 0 N-CA-C 111.17 -0.772 . . . . 0.0 111.17 179.603 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 70.9 p -132.21 -2.84 3.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.853 0.359 . . . . 0.0 111.178 -176.871 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -60.8 -34.1 85.61 Favored Glycine 0 CA--C 1.523 0.549 0 N-CA-C 111.176 -0.77 . . . . 0.0 111.176 -174.778 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 87.5 p -87.1 -10.13 53.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.775 0.321 . . . . 0.0 111.19 -174.453 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 122' ' ' ILE . . . . . . . . . . . . . 84.8 mt -74.33 -41.85 50.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.211 -173.776 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 50.5 tp -63.73 -35.38 80.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.22 176.274 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 99.6 m-20 -66.48 -38.9 88.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.182 176.005 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 31.8 t -63.98 -37.77 88.64 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.248 174.359 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 61.5 tp -63.71 -44.04 94.8 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.236 177.508 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -67.99 -33.74 75.21 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.197 176.72 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 18.0 tp -72.91 -24.67 60.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.192 174.582 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 78.5 m-20 69.57 42.32 1.14 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.199 179.711 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 39.7 mmtm -119.95 157.46 52.66 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.186 179.176 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_exo -54.4 148.82 40.67 Favored 'Trans proline' 0 N--CA 1.457 -0.622 0 C-N-CA 121.68 1.587 . . . . 0.0 111.242 178.12 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 132' ' ' LEU . . . . . 0.526 ' C ' HD13 ' A' ' 132' ' ' LEU . 3.3 tm? -139.1 114.72 9.89 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.201 -166.721 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 76.4 mt -104.71 139.28 26.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.218 177.037 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 98.0 t -118.55 123.91 72.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.224 175.316 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 135' ' ' CYS . . . . . 0.423 ' HA ' ' HB3' ' A' ' 161' ' ' CYS . 52.6 t -103.16 127.43 50.46 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.207 177.194 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 136' ' ' VAL . . . . . 0.412 ' HA ' HG23 ' A' ' 199' ' ' ILE . 30.6 m -88.44 170.23 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.14 179.211 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 36.6 p30 -82.13 -174.97 5.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.238 179.895 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 55.2 p-10 -102.89 20.15 17.99 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.222 -169.79 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 88.4 p -103.21 -7.22 21.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.26 177.558 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 51.1 tp -79.0 122.2 25.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.255 -176.578 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 141' ' ' MET . . . . . . . . . . . . . 58.0 ttm -65.17 142.44 58.34 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.232 -179.289 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 96.8 m-20 -53.64 -35.16 60.67 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.139 -177.091 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 99.4 m-20 -65.06 -29.12 69.99 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.195 -178.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 144' ' ' HIS . . . . . . . . . . . . . 92.5 m-70 -100.09 -10.71 21.21 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.19 -175.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 145' ' ' GLN . . . . . . . . . . . . . 80.0 mt-30 -64.91 -44.0 91.01 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.221 176.397 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 146' ' ' GLN . . . . . . . . . . . . . 72.8 tp60 -69.67 -36.99 76.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.144 178.861 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 147' ' ' GLN . . . . . . . . . . . . . 89.3 mt-30 -64.61 -47.24 79.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.16 -178.653 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 148' ' ' ILE . . . . . . . . . . . . . 85.7 mt -70.31 -36.54 67.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.201 178.845 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -58.57 -41.78 86.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.185 174.098 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 94.0 m-20 -62.92 -38.78 92.32 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.23 176.793 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 151' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -69.38 -33.97 73.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.166 179.172 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 152' ' ' PHE . . . . . . . . . . . . . 12.2 m-30 -63.18 -36.92 85.24 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.208 174.588 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 153' ' ' VAL . . . . . . . . . . . . . 65.2 t -65.87 -38.95 83.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.207 173.289 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -64.44 -31.32 72.48 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.267 178.68 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 155' ' ' LEU . . . . . . . . . . . . . 85.1 mt -64.78 -41.89 95.51 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.188 176.681 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . 95.43 3.91 61.11 Favored Glycine 0 CA--C 1.523 0.59 0 N-CA-C 111.223 -0.751 . . . . 0.0 111.223 166.172 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 157' ' ' TYR . . . . . 0.434 ' CD2' ' O ' ' A' ' 157' ' ' TYR . 67.6 t80 -146.0 25.05 1.3 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.785 0.326 . . . . 0.0 111.173 178.826 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 158' ' ' VAL . . . . . . . . . . . . . 60.7 t -136.77 118.06 18.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.215 -177.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 159' ' ' TRP . . . . . . . . . . . . . 22.1 m95 -87.66 144.06 26.85 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.211 168.276 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 160' ' ' SER . . . . . . . . . . . . . 45.6 t -101.73 108.91 20.57 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.207 -176.446 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 161' ' ' CYS . . . . . 0.423 ' HB3' ' HA ' ' A' ' 135' ' ' CYS . 15.7 t -99.94 125.08 45.9 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.183 175.713 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -72.36 155.04 91.74 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.234 176.712 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 163' ' ' PRO . . . . . . . . . . . . . 86.9 Cg_endo -78.35 60.01 7.32 Favored 'Trans proline' 0 N--CA 1.458 -0.577 0 C-N-CA 121.76 1.64 . . . . 0.0 111.136 -179.241 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 164' ' ' THR . . . . . . . . . . . . . 24.1 p -133.76 -176.92 4.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.224 177.338 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 165' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -82.82 -4.09 57.58 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.155 176.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 166' ' ' THR . . . . . . . . . . . . . 75.4 p -127.09 -8.6 5.94 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.19 -176.331 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 167' ' ' GLY . . . . . . . . . . . . . . . -61.81 -38.59 96.22 Favored Glycine 0 CA--C 1.523 0.567 0 N-CA-C 111.177 -0.769 . . . . 0.0 111.177 -179.087 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 168' ' ' LEU . . . . . . . . . . . . . 26.5 tp -70.83 -31.17 67.8 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.793 0.33 . . . . 0.0 111.158 -179.428 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 96.7 mt -57.58 -44.86 85.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.188 175.598 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 170' ' ' ALA . . . . . . . . . . . . . . . -64.66 -35.08 79.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.229 178.913 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 171' ' ' GLY . . . . . . . . . . . . . . . -62.82 -42.27 99.71 Favored Glycine 0 CA--C 1.523 0.575 0 N-CA-C 111.182 -0.767 . . . . 0.0 111.182 176.855 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 85.2 mt -66.95 -34.88 78.73 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.878 0.37 . . . . 0.0 111.183 177.703 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 173' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -65.23 -38.46 90.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.254 173.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -66.49 -36.76 83.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.227 -179.379 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 60.0 p -65.04 -22.58 67.0 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.139 -179.274 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 176' ' ' GLN . . . . . . . . . . . . . 92.5 mm-40 -100.21 -27.21 13.63 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.122 -177.423 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 177' ' ' THR . . . . . . . . . . . . . 95.7 m -73.6 -47.25 41.8 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.197 178.435 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 178' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -127.75 156.93 41.66 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.152 -176.439 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 179' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -105.0 135.42 46.38 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.274 -177.468 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 180' ' ' LEU . . . . . . . . . . . . . 97.7 mt -83.2 157.82 22.57 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.186 178.806 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 181' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -109.5 158.75 33.78 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.245 176.671 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 182' ' ' PRO . . . . . . . . . . . . . 75.5 Cg_exo -52.66 117.61 3.86 Favored 'Trans proline' 0 N--CA 1.457 -0.618 0 C-N-CA 121.712 1.608 . . . . 0.0 111.211 178.44 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 183' ' ' PHE . . . . . 0.462 ' CE2' ' HB ' ' A' ' 185' ' ' VAL . 2.7 t80 -70.0 113.05 14.71 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.189 -175.103 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 184' ' ' PRO . . . . . . . . . . . . . 76.6 Cg_exo -54.97 -35.87 90.92 Favored 'Trans proline' 0 N--CA 1.458 -0.576 0 C-N-CA 121.724 1.616 . . . . 0.0 111.15 -178.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 185' ' ' VAL . . . . . 0.462 ' HB ' ' CE2' ' A' ' 183' ' ' PHE . 69.7 t -80.64 129.49 37.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.148 -176.361 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 186' ' ' SER . . . . . . . . . . . . . 89.6 p -135.01 5.88 3.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.146 176.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 187' ' ' HIS . . . . . . . . . . . . . 96.0 m-70 -94.35 138.57 32.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.138 -175.66 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 188' ' ' ASN . . . . . 0.477 ' N ' ' CD ' ' A' ' 189' ' ' PRO . 99.1 m-20 -62.99 -46.58 87.16 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.259 -177.516 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 189' ' ' PRO . . . . . 0.477 ' CD ' ' N ' ' A' ' 188' ' ' ASN . 56.1 Cg_exo -54.94 -36.84 93.13 Favored 'Trans proline' 0 N--CA 1.457 -0.64 0 C-N-CA 121.704 1.602 . . . . 0.0 111.215 177.308 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 190' ' ' SER . . . . . . . . . . . . . 74.6 m -71.87 -39.77 69.43 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.263 179.082 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 191' ' ' PHE . . . . . . . . . . . . . 33.4 m-85 -60.66 -33.29 72.6 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.174 174.669 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 192' ' ' GLU . . . . . 0.465 ' HA ' ' HB ' ' A' ' 196' ' ' VAL . 88.3 tt0 -67.98 -49.84 59.25 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.183 179.658 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 193' ' ' ARG . . . . . . . . . . . . . 41.9 mmt180 -75.57 -26.64 58.1 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.232 -172.603 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 194' ' ' LEU . . . . . . . . . . . . . 97.2 mt -88.39 -53.82 4.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.269 -177.73 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 195' ' ' LEU . . . . . . . . . . . . . 92.4 mt -101.85 -59.0 1.77 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.195 -169.067 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 196' ' ' VAL . . . . . 0.465 ' HB ' ' HA ' ' A' ' 192' ' ' GLU . 61.9 t -51.11 -48.17 30.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.193 -170.48 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 197' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -61.2 -33.25 73.16 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.174 179.912 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 198' ' ' THR . . . . . . . . . . . . . 72.5 p -91.99 -14.29 29.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.19 -176.33 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 199' ' ' ILE . . . . . 0.412 HG23 ' HA ' ' A' ' 136' ' ' VAL . 90.7 mt -80.61 -40.21 19.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.205 175.135 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 200' ' ' TYR . . . . . . . . . . . . . 22.3 m-30 -91.15 -12.8 34.37 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.104 -175.814 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 201' ' ' SER . . . . . . . . . . . . . 40.7 t . . . . . 0 C--O 1.199 -1.568 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.249 179.925 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.605 0 N-CA-C 111.204 -0.758 . . . . 0.0 111.204 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 48.0 pt -102.0 -9.74 9.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.846 0.355 . . . . 0.0 111.201 -179.495 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 97.5 mt -104.95 -55.07 5.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.235 177.279 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 87.9 tt0 -91.9 147.51 22.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.192 177.109 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . 0.406 ' HB3' HG21 ' A' ' 40' ' ' VAL . 61.3 mt-10 -52.8 110.0 0.47 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.223 178.115 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 36.4 ttmt -54.72 120.18 6.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.127 -178.388 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . 0.439 ' HA ' ' O ' ' A' ' 41' ' ' ARG . . . -107.83 131.47 54.45 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.185 -165.92 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 59.5 tp -118.17 115.69 25.3 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.237 -177.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 86.8 t80 -93.93 125.18 38.4 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.194 -175.372 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 72.7 t -107.17 109.55 28.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.215 174.109 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 88.2 m -69.11 134.28 49.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.232 -179.651 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 77.9 m -131.66 65.41 1.57 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.197 171.556 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -85.44 -164.92 39.62 Favored Glycine 0 CA--C 1.522 0.503 0 N-CA-C 111.195 -0.762 . . . . 0.0 111.195 -175.304 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -67.52 -25.81 66.02 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.816 0.341 . . . . 0.0 111.206 -175.89 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 71.4 p -105.48 4.79 30.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.204 -176.157 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 59.9 t -124.73 104.24 30.7 Favored Pre-proline 0 C--N 1.328 -0.36 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.18 179.52 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.41 ' HB2' ' HB2' ' A' ' 20' ' ' LYS . 50.4 Cg_exo -55.77 141.7 84.37 Favored 'Trans proline' 0 N--CA 1.458 -0.573 0 C-N-CA 121.708 1.605 . . . . 0.0 111.187 177.893 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . 0.572 ' HB3' ' HD3' ' A' ' 19' ' ' PRO . 51.1 t80 -65.8 -52.23 43.41 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.216 -173.229 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . 0.572 ' HD3' ' HB3' ' A' ' 18' ' ' PHE . 70.3 Cg_endo -75.48 -21.67 14.75 Favored 'Trans proline' 0 N--CA 1.457 -0.639 0 C-N-CA 121.699 1.599 . . . . 0.0 111.251 -172.556 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.41 ' HB2' ' HB2' ' A' ' 17' ' ' PRO . 87.6 tttt -55.17 -44.01 74.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.216 -175.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 75.3 mt -109.85 -34.44 6.44 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.24 -174.023 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 53.7 t -69.1 -45.88 79.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.177 -173.197 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 59.6 p -66.98 -16.42 64.34 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.192 -176.435 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . 0.478 ' SG ' ' HB3' ' A' ' 165' ' ' GLU . 80.9 m -90.96 -45.85 8.5 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.217 177.882 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 55.4 t -60.78 -29.87 46.03 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.229 177.085 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 77.6 mt -98.96 16.31 22.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.163 -178.344 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 48.8 p -73.37 163.69 27.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.216 175.46 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 99.2 m-20 -62.01 -31.36 71.74 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.177 178.449 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -76.65 -47.36 22.41 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.262 -178.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 7.6 m-85 -65.7 -44.94 84.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.215 -177.406 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 63.9 m -60.65 -41.79 95.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.223 -178.779 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 66.6 tt0 -61.63 -45.98 91.74 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.154 176.419 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 73.1 mm-40 -64.74 -37.85 88.99 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.165 179.17 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 69.5 mt -65.78 -41.42 92.03 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.233 -177.24 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 35.8 mm -57.91 -38.04 64.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.25 173.729 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 99.3 mm-40 -75.0 -25.76 59.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.193 177.643 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 21.9 m-30 -87.8 -8.9 55.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.219 179.809 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 100.95 -3.66 55.8 Favored Glycine 0 CA--C 1.524 0.598 0 N-CA-C 111.218 -0.753 . . . . 0.0 111.218 174.044 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 83.2 m-85 -81.92 117.85 22.49 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.843 0.354 . . . . 0.0 111.164 -178.346 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.406 HG21 ' HB3' ' A' ' 5' ' ' GLU . 30.2 m -131.49 -6.78 2.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.112 -173.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . 0.439 ' O ' ' HA ' ' A' ' 7' ' ' ALA . 35.6 ttm180 -123.05 92.42 3.7 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.138 178.861 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 30.2 mt -92.57 135.15 34.32 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.21 -176.232 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 86.0 mt -115.37 113.4 43.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.152 -176.267 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 47.6 mm -112.74 113.76 45.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.23 -174.189 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 59.9 tt0 -76.14 126.91 31.86 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.176 174.38 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 8.6 m-30 -73.25 140.44 46.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.246 175.088 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -95.1 -146.69 21.32 Favored Glycine 0 CA--C 1.524 0.619 0 N-CA-C 111.126 -0.79 . . . . 0.0 111.126 178.32 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . 0.663 ' O ' ' CB ' ' A' ' 49' ' ' ASN . 59.0 ttt85 -81.81 60.07 4.54 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.833 0.349 . . . . 0.0 111.267 178.595 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . 0.663 ' CB ' ' O ' ' A' ' 48' ' ' ARG . 60.7 t30 106.92 67.99 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.189 172.157 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 98.5 m-85 -134.83 14.12 3.64 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.143 178.512 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 74.3 m -61.13 -47.56 85.67 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.196 176.423 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 93.9 p -82.5 -20.85 35.97 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.241 179.468 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 77.0 mm-40 -69.12 -42.96 75.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.186 177.718 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.51 ' HD1' ' O ' ' A' ' 54' ' ' PHE . 1.1 t80 -68.1 -39.83 82.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.213 173.014 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 83.0 tt0 -52.94 -39.86 63.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.198 173.68 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 62.8 m170 -66.93 -34.85 78.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.222 -179.156 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 91.7 mt -63.06 -33.7 76.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.226 -176.908 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 96.2 t -96.67 -36.73 6.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.17 -176.13 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 72.8 tp60 -64.9 -37.9 89.19 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.193 179.554 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -71.23 -30.82 66.82 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.2 177.245 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -71.98 -28.89 63.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.257 174.114 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 89.78 29.31 16.18 Favored Glycine 0 CA--C 1.523 0.541 0 N-CA-C 111.157 -0.777 . . . . 0.0 111.157 179.377 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -86.1 -168.28 44.59 Favored Glycine 0 CA--C 1.523 0.554 0 N-CA-C 111.268 -0.733 . . . . 0.0 111.268 179.058 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 97.7 mm-40 -109.69 165.28 11.8 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.838 0.351 . . . . 0.0 111.225 178.439 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 47.6 ptt85 -167.31 154.71 8.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.179 -176.087 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 88.3 tt0 -159.7 130.9 5.96 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.234 177.8 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 74.6 m -69.89 145.29 52.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.141 -178.665 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 91.8 mm-40 -124.89 145.11 49.98 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.169 -173.625 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -93.41 70.29 4.31 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.221 176.464 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 41.4 mm -71.28 131.17 86.98 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.202 -176.007 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -72.71 139.81 31.41 Favored 'Trans proline' 0 N--CA 1.458 -0.586 0 C-N-CA 121.706 1.604 . . . . 0.0 111.17 -176.464 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 96.4 mt -82.88 -43.03 18.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.191 178.438 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 99.1 m-20 -68.09 -40.09 82.73 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.168 -177.681 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 71.3 tp60 -85.03 -65.35 1.02 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.213 -176.909 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 48.2 t80 -80.73 -45.72 16.63 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.212 -171.195 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 115.68 16.0 7.17 Favored Glycine 0 CA--C 1.522 0.528 0 N-CA-C 111.205 -0.758 . . . . 0.0 111.205 170.761 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' CYS . . . . . 0.469 ' SG ' HD13 ' A' ' 106' ' ' ILE . 86.9 m -131.27 160.09 35.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.76 0.314 . . . . 0.0 111.192 179.599 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -77.22 178.93 50.97 Favored Glycine 0 CA--C 1.523 0.558 0 N-CA-C 111.187 -0.765 . . . . 0.0 111.187 -178.4 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 58.8 p-10 -92.31 15.12 14.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.797 0.332 . . . . 0.0 111.175 -176.654 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 73.4 p -92.75 2.63 56.64 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.159 174.539 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -66.46 154.56 39.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.173 176.221 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 41.4 ttm180 -145.88 132.73 20.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.216 -176.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 59.8 tt0 -84.72 135.59 34.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.166 176.353 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 97.0 m-85 -120.15 147.28 45.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.21 174.62 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 92.8 t -113.76 118.78 59.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.163 -174.513 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 94.9 mt -125.13 169.64 11.99 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.19 179.724 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 97.3 mmm 60.03 30.01 19.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.172 176.834 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 96.4 m-20 64.88 34.58 9.08 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.194 176.019 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 97.32 -5.06 62.65 Favored Glycine 0 CA--C 1.523 0.547 0 N-CA-C 111.247 -0.741 . . . . 0.0 111.247 175.102 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -80.01 -25.7 40.15 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.781 0.324 . . . . 0.0 111.219 -178.713 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 46.1 tp -119.91 123.84 44.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.142 -176.765 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -105.13 116.34 31.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.166 176.099 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 39.2 t -121.76 114.58 43.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.134 -179.501 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 67.3 mt -113.1 125.71 70.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.17 -174.921 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -88.48 132.02 10.99 Favored Glycine 0 CA--C 1.524 0.619 0 N-CA-C 111.228 -0.749 . . . . 0.0 111.228 174.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 95.9 m-85 -119.4 145.65 46.04 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.773 0.32 . . . . 0.0 111.151 -174.665 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 65.8 t0 -105.9 102.74 12.16 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.233 176.646 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 39.0 p90 -159.53 155.04 25.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.209 -178.422 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 59.8 p -85.58 -178.53 6.69 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.243 -173.225 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 82.7 p -73.5 -14.65 61.26 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.2 179.6 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -85.39 -10.69 55.92 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.128 177.905 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 67.5 mtt -105.0 3.05 30.19 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.164 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 90.0 mt-30 -65.77 -41.89 91.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.167 179.449 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 65.1 m -61.47 -32.47 72.48 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.188 178.212 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 96.5 mt -71.74 -50.3 39.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.256 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . 0.469 HD13 ' SG ' ' A' ' 77' ' ' CYS . 17.8 tt -70.37 -21.29 23.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.143 -177.104 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 96.1 mtt180 -72.08 -10.49 59.85 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.113 178.889 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -75.55 -12.49 60.23 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.144 170.718 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 109' ' ' TYR . . . . . . . . . . . . . 94.0 m-85 -112.44 36.99 3.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.22 179.886 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 91.7 p -145.11 160.05 42.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.213 -177.434 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 64.7 m-20 -110.56 -39.66 4.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.213 -179.225 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 59.4 tp -125.99 121.98 34.61 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.207 177.118 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 99.1 t -94.86 136.05 27.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.219 -179.295 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 86.3 mt -112.24 124.75 69.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.232 172.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 43.1 t -140.06 143.12 36.19 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.215 174.408 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 52.3 t-80 -76.72 153.19 35.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.191 161.656 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -61.41 135.44 57.69 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.2 176.014 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 111.7 32.74 2.4 Favored Glycine 0 CA--C 1.524 0.636 0 N-CA-C 111.196 -0.762 . . . . 0.0 111.196 177.15 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 43.8 p -125.03 -26.69 3.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.773 0.321 . . . . 0.0 111.199 -179.536 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 79.73 10.05 86.16 Favored Glycine 0 CA--C 1.523 0.536 0 N-CA-C 111.18 -0.768 . . . . 0.0 111.18 -175.922 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 68.9 m -70.59 -20.14 62.8 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.821 0.343 . . . . 0.0 111.19 -173.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 122' ' ' ILE . . . . . . . . . . . . . 7.8 tp -53.11 -30.84 17.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.146 176.115 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 98.2 mt -82.25 -24.4 34.81 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.208 178.915 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 35.8 t70 -74.65 -42.37 58.64 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.247 174.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 83.0 p -65.16 -25.4 67.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.23 177.125 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 65.7 tp -64.76 -55.37 20.24 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.175 175.81 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 37.6 ptt180 -68.52 -20.32 64.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.209 -179.861 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 97.7 mt -83.65 -26.79 29.6 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.187 172.178 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 77.7 m-20 61.41 39.23 15.4 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.132 -174.458 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 130' ' ' LYS . . . . . 0.421 ' HA ' ' HD3' ' A' ' 131' ' ' PRO . 96.6 mttt -121.03 145.68 42.28 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.191 -172.204 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 131' ' ' PRO . . . . . 0.421 ' HD3' ' HA ' ' A' ' 130' ' ' LYS . 77.2 Cg_exo -55.0 143.68 72.0 Favored 'Trans proline' 0 N--CA 1.457 -0.631 0 C-N-CA 121.673 1.582 . . . . 0.0 111.296 -179.266 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 58.1 tp -139.32 120.25 14.46 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.229 -176.357 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 89.9 mt -81.71 124.92 39.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.227 166.931 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 95.4 t -116.64 111.57 35.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.221 179.405 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 135' ' ' CYS . . . . . . . . . . . . . 50.0 t -92.51 115.52 28.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.201 176.035 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 25.5 m -77.18 161.11 4.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.167 -171.603 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 46.3 p30 -85.1 -174.95 5.53 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.149 177.857 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 57.0 p-10 -97.88 10.74 39.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.219 -172.748 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 78.5 p -91.83 -16.12 27.21 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.218 176.887 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 48.7 tp -80.74 129.43 34.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.203 -179.583 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 141' ' ' MET . . . . . . . . . . . . . 59.5 ttm -60.77 139.85 57.77 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.145 -178.726 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 98.8 m-20 -53.52 -39.19 64.44 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.267 -176.882 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 99.6 m-20 -68.42 -29.11 67.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.225 177.69 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 144' ' ' HIS . . . . . . . . . . . . . 64.2 m170 -86.12 -16.41 38.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.226 -178.831 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 145' ' ' GLN . . . . . . . . . . . . . 80.9 mt-30 -69.12 -32.86 72.55 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.198 175.791 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 146' ' ' GLN . . . . . . . . . . . . . 90.1 mt-30 -82.91 -36.22 25.45 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.223 176.555 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 147' ' ' GLN . . . . . . . . . . . . . 72.1 tp60 -67.52 -43.05 81.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.13 179.221 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 148' ' ' ILE . . . . . . . . . . . . . 12.9 tt -69.93 -25.38 27.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.25 -179.139 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -64.91 -41.89 95.19 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.203 175.451 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 99.5 m-20 -64.99 -30.93 71.95 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.174 176.515 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 151' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -71.39 -33.04 69.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.232 175.603 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 152' ' ' PHE . . . . . . . . . . . . . 11.8 m-30 -72.97 -28.17 62.25 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.259 176.826 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 153' ' ' VAL . . . . . . . . . . . . . 53.6 t -61.09 -35.73 67.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.245 169.771 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 76.6 mm-40 -69.31 -30.14 68.14 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.154 177.2 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 155' ' ' LEU . . . . . . . . . . . . . 82.9 mt -64.71 -26.82 68.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.173 177.468 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . 105.34 -31.39 8.56 Favored Glycine 0 CA--C 1.523 0.586 0 N-CA-C 111.192 -0.763 . . . . 0.0 111.192 164.143 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 157' ' ' TYR . . . . . 0.401 ' HB2' ' HA ' ' A' ' 131' ' ' PRO . 17.4 p90 -139.08 8.14 2.48 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.839 0.352 . . . . 0.0 111.194 -173.24 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 158' ' ' VAL . . . . . . . . . . . . . 58.7 t -109.06 140.07 29.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.226 -178.75 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 159' ' ' TRP . . . . . . . . . . . . . 66.2 t-105 -133.45 133.09 41.86 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.206 177.709 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 160' ' ' SER . . . . . . . . . . . . . 30.0 t -83.22 130.19 35.07 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.206 177.686 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 161' ' ' CYS . . . . . . . . . . . . . 88.6 m -115.02 149.09 38.0 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.211 172.01 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -60.28 156.34 40.83 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.178 -175.575 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 163' ' ' PRO . . . . . . . . . . . . . 78.3 Cg_endo -74.95 70.27 5.3 Favored 'Trans proline' 0 N--CA 1.459 -0.555 0 C-N-CA 121.675 1.583 . . . . 0.0 111.204 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 164' ' ' THR . . . . . . . . . . . . . 14.8 t -152.63 169.07 23.6 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.217 178.89 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 165' ' ' GLU . . . . . 0.478 ' HB3' ' SG ' ' A' ' 24' ' ' CYS . 98.6 mt-10 -71.25 -32.68 69.02 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.156 -168.363 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 166' ' ' THR . . . . . . . . . . . . . 62.2 p -112.17 24.33 12.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.175 -174.647 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 167' ' ' GLY . . . . . . . . . . . . . . . -79.97 -9.67 86.44 Favored Glycine 0 CA--C 1.523 0.542 0 N-CA-C 111.167 -0.773 . . . . 0.0 111.167 -179.679 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 168' ' ' LEU . . . . . . . . . . . . . 93.5 mt -64.25 -25.89 68.26 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.782 0.325 . . . . 0.0 111.177 -175.149 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 169' ' ' ILE . . . . . 0.413 HD13 ' HA ' ' A' ' 169' ' ' ILE . 10.4 tp -62.92 -22.83 31.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.147 -175.788 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 170' ' ' ALA . . . . . . . . . . . . . . . -64.99 -42.59 94.39 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.194 177.503 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 171' ' ' GLY . . . . . . . . . . . . . . . -76.49 -33.29 48.43 Favored Glycine 0 CA--C 1.522 0.531 0 N-CA-C 111.222 -0.751 . . . . 0.0 111.222 179.129 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 98.1 mt -65.78 -36.6 83.98 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.855 0.36 . . . . 0.0 111.271 177.233 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 173' ' ' ARG . . . . . . . . . . . . . 79.4 ttt180 -72.83 -38.57 67.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.157 173.504 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -61.3 -35.54 77.62 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.182 -178.358 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 52.5 p -63.17 -23.72 67.56 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.216 179.18 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 176' ' ' GLN . . . . . . . . . . . . . 92.5 mm-40 -100.88 -25.7 14.0 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.236 -178.453 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 177' ' ' THR . . . . . . . . . . . . . 90.5 m -65.98 -41.21 91.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.24 177.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 178' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -148.16 135.79 20.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.196 -179.881 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 179' ' ' LYS . . . . . . . . . . . . . 88.9 tttt -58.03 121.18 9.99 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.138 178.121 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 180' ' ' LEU . . . . . . . . . . . . . 97.4 mt -84.86 137.42 33.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.181 -179.579 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 181' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -131.99 154.14 81.61 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.158 -172.339 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 182' ' ' PRO . . . . . . . . . . . . . 50.1 Cg_exo -55.76 148.92 52.97 Favored 'Trans proline' 0 N--CA 1.458 -0.604 0 C-N-CA 121.606 1.537 . . . . 0.0 111.252 177.915 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 183' ' ' PHE . . . . . 0.425 ' CE2' ' HB ' ' A' ' 185' ' ' VAL . 15.8 t80 -55.64 115.08 8.54 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.271 178.658 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 184' ' ' PRO . . . . . 0.41 ' HD3' ' HA ' ' A' ' 183' ' ' PHE . 82.0 Cg_exo -58.54 -39.01 86.97 Favored 'Trans proline' 0 N--CA 1.459 -0.543 0 C-N-CA 121.637 1.558 . . . . 0.0 111.198 -172.143 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 185' ' ' VAL . . . . . 0.425 ' HB ' ' CE2' ' A' ' 183' ' ' PHE . 88.5 t -82.96 124.19 39.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.196 -174.196 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 186' ' ' SER . . . . . . . . . . . . . 96.4 p -76.67 -19.53 57.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.255 -172.218 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 187' ' ' HIS . . . . . . . . . . . . . 97.2 m-70 -64.04 130.7 45.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.213 -179.704 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 188' ' ' ASN . . . . . 0.526 ' N ' ' CD ' ' A' ' 189' ' ' PRO . 99.5 m-20 -71.55 -43.33 11.8 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.136 -179.711 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 189' ' ' PRO . . . . . 0.526 ' CD ' ' N ' ' A' ' 188' ' ' ASN . 72.6 Cg_exo -54.86 -39.67 89.0 Favored 'Trans proline' 0 N--CA 1.457 -0.621 0 C-N-CA 121.75 1.633 . . . . 0.0 111.217 -179.614 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 190' ' ' SER . . . . . . . . . . . . . 73.2 m -64.81 -45.25 87.02 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.254 178.849 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 191' ' ' PHE . . . . . . . . . . . . . 87.7 t80 -58.52 -48.83 79.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.214 177.076 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 192' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -69.91 -34.48 73.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.223 -174.27 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 193' ' ' ARG . . . . . . . . . . . . . 80.0 ttt180 -54.63 -36.29 64.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.19 -174.597 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 194' ' ' LEU . . . . . . . . . . . . . 98.2 mt -78.55 -38.37 40.56 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.186 -168.59 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 195' ' ' LEU . . . . . 0.487 ' C ' HD21 ' A' ' 195' ' ' LEU . 8.5 tt -119.27 -50.29 2.35 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.249 -173.81 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 196' ' ' VAL . . . . . . . . . . . . . 76.7 t -67.69 -35.38 72.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.251 -172.585 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 197' ' ' GLU . . . . . . . . . . . . . 75.2 mm-40 -92.06 11.14 26.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.194 -179.738 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 198' ' ' THR . . . . . . . . . . . . . 80.4 p -122.53 -23.22 5.23 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.185 175.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 199' ' ' ILE . . . . . . . . . . . . . 67.2 mt -115.03 -42.54 3.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.159 178.461 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 200' ' ' TYR . . . . . . . . . . . . . 95.8 m-85 -104.97 16.02 26.68 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.199 -173.901 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 201' ' ' SER . . . . . . . . . . . . . 41.2 t . . . . . 0 C--O 1.199 -1.57 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.151 179.041 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.617 0 N-CA-C 111.2 -0.76 . . . . 0.0 111.2 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . 0.439 HG23 HG13 ' A' ' 3' ' ' ILE . 10.8 tp -73.44 -33.01 38.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.774 0.321 . . . . 0.0 111.213 -178.64 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . 0.439 HG13 HG23 ' A' ' 2' ' ' ILE . 97.6 mt -129.76 100.13 5.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.203 173.506 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -119.71 -29.56 5.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.22 175.721 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 33.8 mt-10 -111.61 175.87 5.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.159 -170.72 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 43.6 tptt -50.04 109.99 0.35 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.204 -171.854 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -109.11 128.21 54.8 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.131 -167.354 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 61.2 tp -109.05 111.58 23.3 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.187 176.57 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . 0.439 ' HA ' ' HB ' ' A' ' 43' ' ' ILE . 43.9 t80 -89.82 110.02 20.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.208 -176.111 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 62.1 t -115.86 127.29 73.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.226 178.849 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 30.8 m -124.45 129.99 51.66 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.231 169.654 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 95.6 m -81.63 146.14 30.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.224 -177.221 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -80.54 176.58 54.63 Favored Glycine 0 CA--C 1.523 0.539 0 N-CA-C 111.211 -0.756 . . . . 0.0 111.211 178.144 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -92.42 -15.66 26.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.79 0.328 . . . . 0.0 111.247 -177.455 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 69.4 m -61.79 -44.71 96.34 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.162 -177.618 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 84.9 t -109.94 135.02 20.51 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.125 -178.776 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 81.6 Cg_exo -48.95 137.82 27.73 Favored 'Trans proline' 0 N--CA 1.458 -0.571 0 C-N-CA 121.748 1.632 . . . . 0.0 111.188 179.208 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . 0.54 ' N ' ' CD ' ' A' ' 19' ' ' PRO . 84.3 t80 -60.22 -42.34 89.02 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.188 -176.93 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . 0.54 ' CD ' ' N ' ' A' ' 18' ' ' PHE . 76.8 Cg_exo -53.14 -29.92 47.93 Favored 'Trans proline' 0 N--CA 1.458 -0.592 0 C-N-CA 121.731 1.621 . . . . 0.0 111.133 178.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -86.29 -36.19 19.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.187 -179.92 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 81.6 mt -76.16 -28.93 57.55 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.228 -177.746 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 3.4 p -75.47 -22.98 16.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.169 -177.005 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 60.2 p -76.6 -14.94 59.95 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.197 177.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 76.3 m -85.01 -15.0 45.65 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.231 -179.375 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 33.2 m -111.79 -11.63 11.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.245 178.207 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 90.6 mt -101.1 6.59 43.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.262 173.131 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 3.6 t -60.02 141.69 55.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.146 174.884 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 86.0 m-20 -63.1 -40.35 97.38 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.199 176.127 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -69.04 -39.03 79.42 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.226 178.117 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 73.6 t80 -59.4 -48.75 80.45 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.203 174.524 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 68.9 m -65.47 -39.16 91.65 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.268 -177.369 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 72.4 tp60 -62.48 -45.22 94.01 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.236 177.466 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 61.4 mm-40 -68.25 -38.19 81.55 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.211 176.707 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 43.4 tp -60.15 -40.75 90.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.221 179.458 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 92.9 mt -62.65 -39.96 86.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.261 171.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 71.9 tp60 -62.75 -30.03 71.14 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.24 178.041 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 26.4 m-85 -85.96 1.56 49.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.222 -179.34 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 84.75 19.82 59.13 Favored Glycine 0 CA--C 1.523 0.553 0 N-CA-C 111.186 -0.765 . . . . 0.0 111.186 168.796 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 68.0 m-85 -94.63 145.16 25.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.798 0.333 . . . . 0.0 111.173 178.331 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 84.4 t -116.36 -40.1 2.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.206 -171.71 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 88.3 mtt180 -123.02 103.71 8.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.215 -172.086 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 57.9 tp -78.43 113.81 16.76 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.218 175.17 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.439 ' HB ' ' HA ' ' A' ' 9' ' ' PHE . 96.8 mt -94.8 124.6 47.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.212 179.79 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 76.9 mt -113.78 100.42 10.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.245 176.254 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 69.9 tp60 -105.51 98.04 7.8 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.137 -176.042 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 75.9 t80 -120.17 130.01 54.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.211 -174.771 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . 0.406 ' O ' ' HB3' ' A' ' 48' ' ' ARG . . . -78.12 164.61 51.48 Favored Glycine 0 CA--C 1.523 0.56 0 N-CA-C 111.18 -0.768 . . . . 0.0 111.18 -176.064 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . 0.406 ' HB3' ' O ' ' A' ' 47' ' ' GLY . 76.8 ttt180 75.03 -95.04 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.78 0.324 . . . . 0.0 111.236 177.631 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 61.0 t-20 -133.41 93.16 3.1 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.2 -172.639 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 41.1 t80 -79.55 130.21 35.18 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.132 176.262 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 30.8 t -57.32 109.59 0.7 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.153 175.03 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 58.3 m -110.72 34.08 4.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.143 -169.484 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 22.9 tt0 -144.79 85.56 1.77 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.226 173.752 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 21.7 m-30 -109.12 29.56 7.39 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.212 172.882 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 79.5 tt0 -60.37 -37.72 81.63 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.186 177.061 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 51.0 p-80 -66.08 -23.49 66.53 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.206 179.064 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 59.2 tp -75.63 -55.04 6.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.146 177.489 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 19.1 m -67.65 -22.43 28.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.197 -177.724 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 72.0 tp60 -61.5 -33.87 74.53 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.192 175.782 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 95.4 mt-10 -90.65 -28.05 18.64 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.212 179.747 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 10.9 mpt_? -90.33 4.26 51.3 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.177 -175.55 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 74.99 39.29 38.33 Favored Glycine 0 CA--C 1.524 0.601 0 N-CA-C 111.144 -0.783 . . . . 0.0 111.144 169.367 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -135.43 -174.37 13.38 Favored Glycine 0 CA--C 1.523 0.547 0 N-CA-C 111.151 -0.78 . . . . 0.0 111.151 178.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . 0.424 ' H ' ' HB ' ' A' ' 85' ' ' VAL . 94.4 mm-40 -119.97 -179.98 4.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.868 0.365 . . . . 0.0 111.183 178.431 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 8.1 ppt_? -140.53 149.76 42.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.173 175.735 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 42.6 tt0 -152.4 130.72 12.05 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.206 -178.274 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 29.0 t -87.09 127.22 35.13 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.135 172.621 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 87.6 mt-30 -125.92 152.61 45.39 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.241 -171.602 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -115.14 110.15 19.09 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.258 175.481 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 46.6 mm -101.14 132.85 21.43 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.149 -165.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_exo -50.04 124.55 12.91 Favored 'Trans proline' 0 N--CA 1.459 -0.523 0 C-N-CA 121.677 1.585 . . . . 0.0 111.138 175.026 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 96.8 mt -73.45 -46.17 49.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.21 -176.275 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 99.4 m-20 -63.92 -38.15 90.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.208 -175.76 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 70.8 tp60 -78.2 -46.66 19.88 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.187 -174.603 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 85.2 m-85 -113.8 -23.65 9.55 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.255 -166.743 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 93.96 -7.04 73.33 Favored Glycine 0 CA--C 1.524 0.596 0 N-CA-C 111.206 -0.758 . . . . 0.0 111.206 177.627 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 77.2 m -95.08 155.07 16.88 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.828 0.347 . . . . 0.0 111.178 -179.131 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -97.37 -148.98 24.78 Favored Glycine 0 CA--C 1.523 0.543 0 N-CA-C 111.214 -0.754 . . . . 0.0 111.214 -174.071 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 53.5 p-10 -99.72 14.14 31.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.81 0.338 . . . . 0.0 111.234 -171.391 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 64.6 p -127.57 70.47 1.32 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.201 176.192 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -112.41 122.23 47.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.198 173.79 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 8.9 mmm180 -103.6 116.67 32.79 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.184 -175.746 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 35.7 tt0 -92.9 124.87 37.19 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.163 177.257 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 93.7 m-85 -124.96 143.81 50.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.2 175.486 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . 0.424 ' HB ' ' H ' ' A' ' 64' ' ' GLN . 98.6 t -111.6 123.31 67.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.243 176.286 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 94.3 mt -121.87 167.15 13.37 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.162 178.847 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 70.4 mmm 60.91 34.77 19.43 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.183 173.522 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 77.3 m-20 58.96 34.94 23.89 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.208 177.733 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 94.02 4.53 63.09 Favored Glycine 0 CA--C 1.523 0.567 0 N-CA-C 111.226 -0.75 . . . . 0.0 111.226 172.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -86.34 -18.94 30.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.756 0.312 . . . . 0.0 111.192 -178.286 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 53.0 tp -136.51 134.87 38.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.205 176.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 92.6 mttt -105.44 146.71 29.14 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.168 174.733 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 91.1 t -129.64 124.24 58.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.196 177.879 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 45.1 mm -114.68 113.98 45.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.232 178.19 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -102.43 146.67 16.91 Favored Glycine 0 CA--C 1.523 0.554 0 N-CA-C 111.218 -0.753 . . . . 0.0 111.218 179.203 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 90.2 m-85 -126.47 131.66 51.61 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.766 0.317 . . . . 0.0 111.161 178.393 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 57.7 t0 -115.1 88.32 2.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.213 -177.647 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 87.0 m-85 -134.29 -176.74 4.3 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.229 -178.803 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 72.8 p -76.61 -179.13 5.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.169 175.113 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 82.3 p -78.36 -7.67 57.57 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.256 179.372 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -88.13 -7.84 56.32 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.234 179.512 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 95.2 mtp -114.94 34.92 4.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.202 -179.772 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 28.7 mm100 -86.7 -16.39 36.62 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.159 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' SER . . . . . 0.503 ' O ' ' HB ' ' A' ' 105' ' ' ILE . 12.0 t -94.96 -164.46 1.17 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.202 -177.658 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . 0.503 ' HB ' ' O ' ' A' ' 104' ' ' SER . 86.6 mt 73.64 -65.03 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.183 178.237 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 95.8 mt -57.29 -28.94 31.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.205 -177.17 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 93.1 mtm-85 -59.89 -30.1 68.79 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.186 178.41 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -67.2 -21.57 65.76 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.176 179.2 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 109' ' ' TYR . . . . . . . . . . . . . 62.9 m-85 -96.59 -8.9 30.6 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.171 -177.054 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 83.5 p -86.01 169.71 12.95 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.249 -176.863 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 61.8 m-20 -110.77 -40.07 4.66 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.23 178.301 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 53.5 tp -127.46 129.95 48.39 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.207 175.655 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 94.9 t -108.19 120.38 59.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.234 -177.156 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 114' ' ' ILE . . . . . 0.456 HG12 ' HB ' ' A' ' 133' ' ' ILE . 85.3 mt -103.85 117.1 48.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.194 170.346 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 49.7 m -121.1 135.93 55.08 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.246 -177.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 116' ' ' HIS . . . . . 0.422 ' HA ' ' HB2' ' A' ' 135' ' ' CYS . 24.9 m170 -87.81 146.51 25.58 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.186 175.416 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -63.05 129.73 41.62 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.197 176.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 100.9 25.29 8.55 Favored Glycine 0 CA--C 1.524 0.619 0 N-CA-C 111.141 -0.784 . . . . 0.0 111.141 177.201 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 69.4 p -115.3 -40.97 3.35 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.867 0.365 . . . . 0.0 111.224 176.808 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 94.08 2.61 64.22 Favored Glycine 0 CA--C 1.524 0.652 0 N-CA-C 111.193 -0.763 . . . . 0.0 111.193 -177.028 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 86.4 p -90.78 -7.76 51.54 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.802 0.334 . . . . 0.0 111.143 177.886 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 122' ' ' ILE . . . . . 0.492 HG23 HD22 ' A' ' 132' ' ' LEU . 96.6 mt -63.78 -40.0 87.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.217 179.492 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 96.2 mt -75.37 -17.65 60.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.238 -173.513 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 31.1 t0 -69.39 -52.89 22.7 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.206 -176.087 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 11.2 t -57.06 -34.95 68.78 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.152 178.545 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 89.8 mt -63.01 -48.61 78.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.175 179.24 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 40.1 ptt180 -73.39 -19.98 60.86 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.221 -179.777 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 97.5 mt -85.64 -9.91 56.57 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.203 176.134 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 56.2 t30 63.57 36.18 11.24 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.155 -179.162 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 89.7 mttt -110.82 149.52 40.5 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.154 178.485 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 74.6 Cg_exo -50.95 131.11 33.61 Favored 'Trans proline' 0 N--CA 1.458 -0.567 0 C-N-CA 121.648 1.565 . . . . 0.0 111.178 178.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 132' ' ' LEU . . . . . 0.492 HD22 HG23 ' A' ' 122' ' ' ILE . 40.7 tp -131.31 126.53 35.59 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.182 -171.762 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 133' ' ' ILE . . . . . 0.456 ' HB ' HG12 ' A' ' 114' ' ' ILE . 74.4 mt -111.09 120.95 62.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.235 170.093 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 97.5 t -100.16 123.31 52.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.157 -179.334 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 135' ' ' CYS . . . . . 0.422 ' HB2' ' HA ' ' A' ' 116' ' ' HIS . 89.9 m -98.67 117.21 32.63 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.166 179.212 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 11.4 p -84.89 141.81 14.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.159 -176.159 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 19.7 p30 -141.33 -160.16 1.05 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.176 179.36 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 98.8 m-20 -67.3 -12.61 60.58 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.194 -170.182 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 82.5 p -58.85 -25.82 63.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.229 176.097 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 53.5 tp -90.77 114.97 27.46 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.209 171.879 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 141' ' ' MET . . . . . . . . . . . . . 98.7 mmm -76.26 -20.3 57.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.113 -175.253 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 66.3 t0 -63.84 122.53 16.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.169 176.404 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 98.2 m-20 -61.62 -24.8 66.95 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.134 -179.266 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 144' ' ' HIS . . . . . . . . . . . . . 99.3 m-70 -85.02 65.92 9.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.186 177.118 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 145' ' ' GLN . . . . . . . . . . . . . 96.9 mt-30 -77.42 -27.43 52.28 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.16 -174.724 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 146' ' ' GLN . . . . . . . . . . . . . 85.7 mt-30 -90.4 -18.38 25.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.186 -177.098 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 147' ' ' GLN . . . . . . . . . . . . . 99.1 mm-40 -76.94 -21.78 54.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.169 -173.746 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 148' ' ' ILE . . . . . . . . . . . . . 37.6 pt -67.42 -19.98 25.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.205 -178.713 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -58.98 -28.5 66.4 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.17 -179.383 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 98.8 m-20 -62.51 -32.69 73.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.159 176.653 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 151' ' ' LYS . . . . . . . . . . . . . 75.0 mmtt -87.64 -23.59 24.2 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.269 -179.559 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 152' ' ' PHE . . . . . . . . . . . . . 12.8 m-85 -63.61 -36.96 85.54 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.134 168.146 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 153' ' ' VAL . . . . . . . . . . . . . 61.6 t -63.37 -38.3 81.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.208 171.585 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 76.8 mm-40 -64.84 -32.87 74.77 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.212 178.095 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 155' ' ' LEU . . . . . . . . . . . . . 90.1 mt -64.73 -50.64 66.12 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.142 174.785 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . 83.87 15.07 71.11 Favored Glycine 0 CA--C 1.523 0.538 0 N-CA-C 111.241 -0.744 . . . . 0.0 111.241 167.085 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 157' ' ' TYR . . . . . . . . . . . . . 25.4 p90 -139.92 6.73 2.22 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.886 0.374 . . . . 0.0 111.233 177.317 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 158' ' ' VAL . . . . . . . . . . . . . 7.9 p -159.57 141.08 4.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.219 -178.815 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 159' ' ' TRP . . . . . . . . . . . . . 26.4 m-90 -120.49 136.29 54.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.215 -174.771 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 160' ' ' SER . . . . . . . . . . . . . 28.1 t -100.45 147.19 26.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.149 -178.499 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 161' ' ' CYS . . . . . . . . . . . . . 19.8 p -154.87 -179.37 7.97 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.216 174.079 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -99.25 140.32 21.59 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.231 172.741 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 163' ' ' PRO . . . . . . . . . . . . . 87.4 Cg_endo -78.14 64.96 8.43 Favored 'Trans proline' 0 N--CA 1.458 -0.608 0 C-N-CA 121.689 1.593 . . . . 0.0 111.198 179.841 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 164' ' ' THR . . . . . . . . . . . . . 10.4 p -129.95 -179.93 5.5 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.198 176.619 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 165' ' ' GLU . . . . . . . . . . . . . 25.1 pt-20 -69.69 -8.42 47.67 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.198 179.66 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 166' ' ' THR . . . . . . . . . . . . . 78.6 p -116.6 -36.58 3.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.226 -178.106 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 167' ' ' GLY . . . . . . . . . . . . . . . -72.86 -36.7 57.45 Favored Glycine 0 CA--C 1.523 0.584 0 N-CA-C 111.249 -0.741 . . . . 0.0 111.249 -177.645 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 168' ' ' LEU . . . . . . . . . . . . . 95.4 mt -65.22 -35.14 80.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.844 0.355 . . . . 0.0 111.166 178.202 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 93.8 mt -65.07 -45.46 94.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.203 174.012 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 170' ' ' ALA . . . . . . . . . . . . . . . -62.72 -36.74 83.97 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.244 178.374 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 171' ' ' GLY . . . . . . . . . . . . . . . -64.89 -43.89 95.4 Favored Glycine 0 CA--C 1.523 0.537 0 N-CA-C 111.125 -0.79 . . . . 0.0 111.125 177.799 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 80.5 mt -59.42 -44.94 92.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.839 0.352 . . . . 0.0 111.182 177.577 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 173' ' ' ARG . . . . . . . . . . . . . 55.0 ttm-85 -65.56 -38.32 89.23 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.192 177.487 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -62.72 -40.64 97.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.18 -177.796 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 56.4 p -65.1 -19.97 66.24 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.207 -177.823 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 176' ' ' GLN . . . . . . . . . . . . . 81.5 mt-30 -108.64 -4.56 16.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.221 -179.718 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 177' ' ' THR . . . . . . . . . . . . . 71.3 m -70.06 -47.84 60.3 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.165 177.797 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 178' ' ' GLU . . . . . . . . . . . . . 72.6 mm-40 -95.28 149.45 21.32 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.214 178.569 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 179' ' ' LYS . . . . . . . . . . . . . 88.9 tttt -63.24 125.03 22.73 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.276 179.228 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 180' ' ' LEU . . . . . . . . . . . . . 56.9 tp -72.81 118.56 15.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.191 -178.469 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 181' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -128.62 156.41 77.41 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.177 177.668 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 182' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_exo -52.9 138.99 61.02 Favored 'Trans proline' 0 N--CA 1.457 -0.627 0 C-N-CA 121.674 1.582 . . . . 0.0 111.259 175.199 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 183' ' ' PHE . . . . . 0.432 ' N ' ' CD1' ' A' ' 183' ' ' PHE . 5.5 m-30 -68.39 122.63 85.14 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-N 116.273 -0.422 . . . . 0.0 111.226 -173.031 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 184' ' ' PRO . . . . . . . . . . . . . 77.8 Cg_exo -56.44 -37.54 97.0 Favored 'Trans proline' 0 N--CA 1.458 -0.573 0 C-N-CA 121.644 1.562 . . . . 0.0 111.236 -177.542 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 185' ' ' VAL . . . . . . . . . . . . . 96.8 t -74.87 128.22 36.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.175 -178.372 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 186' ' ' SER . . . . . . . . . . . . . 86.2 p -115.47 6.01 14.63 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.209 -176.403 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 187' ' ' HIS . . . . . . . . . . . . . 91.0 m-70 -119.86 139.39 52.45 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.177 -177.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 188' ' ' ASN . . . . . 0.5 ' N ' ' CD ' ' A' ' 189' ' ' PRO . 99.4 m-20 -69.23 -46.08 28.81 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.177 -178.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 189' ' ' PRO . . . . . 0.5 ' CD ' ' N ' ' A' ' 188' ' ' ASN . 53.1 Cg_exo -55.27 -36.27 93.13 Favored 'Trans proline' 0 N--CA 1.458 -0.586 0 C-N-CA 121.681 1.587 . . . . 0.0 111.235 176.952 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 190' ' ' SER . . . . . . . . . . . . . 74.9 m -73.88 -37.16 64.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.162 -179.426 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 191' ' ' PHE . . . . . . . . . . . . . 6.5 m-85 -59.85 -48.29 82.28 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.17 175.055 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 192' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -68.15 -43.44 78.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.247 -179.178 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 193' ' ' ARG . . . . . . . . . . . . . 79.8 ttt180 -54.96 -56.51 18.85 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.199 177.436 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 194' ' ' LEU . . . . . . . . . . . . . 93.3 mt -63.8 -38.58 91.63 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.267 -176.55 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 195' ' ' LEU . . . . . . . . . . . . . 58.6 tp -55.81 -54.66 41.75 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.13 177.785 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 196' ' ' VAL . . . . . . . . . . . . . 78.6 t -72.05 -39.92 66.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.229 -174.46 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 197' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -63.98 -34.0 77.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.216 178.626 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 198' ' ' THR . . . . . . . . . . . . . 89.0 m -74.81 -48.75 23.58 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.225 178.876 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 199' ' ' ILE . . . . . . . . . . . . . 93.5 mt -65.19 -42.01 93.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.283 -179.105 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 200' ' ' TYR . . . . . . . . . . . . . 93.5 m-85 -102.52 33.1 3.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.142 -178.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 201' ' ' SER . . . . . . . . . . . . . 42.4 t . . . . . 0 C--O 1.2 -1.517 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.232 178.861 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.522 0.523 0 N-CA-C 111.2 -0.76 . . . . 0.0 111.2 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 43.0 pt -115.09 21.39 6.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.767 0.318 . . . . 0.0 111.167 179.596 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 42.6 pt -114.95 23.92 5.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.205 -178.1 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 88.3 tt0 -146.66 139.91 25.6 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.235 179.647 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . 0.414 ' HG3' ' HB ' ' A' ' 40' ' ' VAL . 81.7 tt0 -102.92 99.84 9.77 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.182 -179.115 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.424 ' HB2' ' HA ' ' A' ' 39' ' ' PHE . 90.8 mttt -99.55 153.42 19.05 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.199 179.852 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -110.06 130.2 55.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.214 178.441 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 51.9 tp -122.22 124.46 43.86 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.196 -174.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 42.3 m-85 -103.38 120.38 40.69 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.232 175.372 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 66.3 t -111.54 110.22 31.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.139 177.047 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 99.4 m -95.88 123.57 39.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.272 -174.415 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 41.3 t -77.6 131.5 37.84 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.205 175.789 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -74.82 173.29 52.37 Favored Glycine 0 CA--C 1.523 0.584 0 N-CA-C 111.245 -0.742 . . . . 0.0 111.245 177.275 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -67.95 -35.14 77.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.84 0.352 . . . . 0.0 111.197 -174.638 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 45.1 p -113.99 38.19 3.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.206 -174.813 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 98.1 t -105.61 118.4 55.59 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.237 -179.619 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_exo -54.67 135.0 65.36 Favored 'Trans proline' 0 N--CA 1.457 -0.619 0 C-N-CA 121.717 1.611 . . . . 0.0 111.174 177.278 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . 0.575 ' N ' ' CD ' ' A' ' 19' ' ' PRO . 94.4 m-85 -79.17 -40.96 1.57 Allowed Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.19 -177.767 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . 0.575 ' CD ' ' N ' ' A' ' 18' ' ' PHE . 64.0 Cg_exo -55.47 -27.34 58.51 Favored 'Trans proline' 0 N--CA 1.458 -0.592 0 C-N-CA 121.701 1.601 . . . . 0.0 111.158 178.855 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 91.5 mttt -86.91 -60.74 1.9 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.198 -177.456 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 50.4 tp -58.39 -40.31 82.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.178 -172.034 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 53.7 t -56.83 -43.99 81.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.335 178.912 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 95.6 p -80.49 -17.97 50.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.23 -175.823 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 93.9 m -85.23 -15.79 42.36 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.172 -179.911 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 30.7 m -109.33 -11.53 11.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.132 176.376 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 99.2 mt -113.58 22.06 14.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.211 172.644 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 4.3 t -63.73 147.77 50.84 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.226 174.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 99.8 m-20 -68.88 -18.34 64.12 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.133 178.7 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -97.44 -38.29 9.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.27 177.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 75.9 t80 -57.23 -49.86 74.68 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.114 176.446 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 81.0 m -64.96 -35.74 82.13 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.259 -172.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 87.3 mt-30 -64.19 -48.96 73.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.23 179.341 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 68.6 mm-40 -64.83 -42.62 94.79 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.222 176.362 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 33.3 tp -49.98 -50.07 48.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.211 177.027 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 94.4 mt -63.39 -40.02 87.5 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.19 -179.503 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 88.2 mt-30 -73.95 -12.28 60.6 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.125 -179.057 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 21.9 m-30 -89.68 -5.49 57.02 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.225 174.424 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 97.58 4.39 58.15 Favored Glycine 0 CA--C 1.523 0.58 0 N-CA-C 111.154 -0.778 . . . . 0.0 111.154 176.271 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.424 ' HA ' ' HB2' ' A' ' 6' ' ' LYS . 71.2 m-85 -94.37 122.66 37.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.757 0.313 . . . . 0.0 111.22 -176.734 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.414 ' HB ' ' HG3' ' A' ' 5' ' ' GLU . 97.2 t -118.0 -43.96 3.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.215 -177.182 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 97.7 mtt180 -87.4 83.87 7.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.244 -176.185 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 56.2 tp -81.36 94.56 6.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.17 -179.604 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 79.8 mt -96.79 111.71 27.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.165 -177.228 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 61.1 mt -105.78 117.23 51.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.183 -169.158 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 49.3 tt0 -100.07 106.25 17.98 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.176 -170.708 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 44.3 m-85 -110.06 170.5 8.03 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.218 175.476 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -94.99 -153.5 30.29 Favored Glycine 0 CA--C 1.524 0.594 0 N-CA-C 111.174 -0.77 . . . . 0.0 111.174 -179.281 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 85.6 mtp180 -83.51 -8.49 59.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.829 0.347 . . . . 0.0 111.202 -177.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 95.4 m-20 -91.21 5.68 48.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.159 -173.061 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 86.2 t80 -153.54 129.94 10.59 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.214 176.291 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 95.5 p -74.79 164.51 26.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.212 -178.37 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 68.6 m -84.89 60.0 5.93 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.248 179.258 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 53.3 mt-10 -122.98 113.05 18.55 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.142 -175.871 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 54.0 m-85 -120.93 11.13 10.99 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.179 177.607 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 86.8 tt0 -51.43 -40.0 58.49 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.273 -0.422 . . . . 0.0 111.144 -171.905 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 85.7 t60 -55.94 -59.36 5.0 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.214 -174.406 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 93.5 mt -74.98 -31.55 61.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.178 -174.751 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 51.4 t -70.13 -40.02 77.77 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.224 -178.66 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 97.9 mm-40 -77.14 -32.43 56.37 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.215 177.914 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 88.1 tt0 -57.01 -45.18 83.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.182 173.291 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 32.9 tpt180 -71.34 -41.68 69.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.168 173.404 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 115.03 120.84 3.42 Favored Glycine 0 CA--C 1.523 0.558 0 N-CA-C 111.201 -0.76 . . . . 0.0 111.201 177.707 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 170.42 -175.0 44.45 Favored Glycine 0 CA--C 1.522 0.511 0 N-CA-C 111.149 -0.781 . . . . 0.0 111.149 -178.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 97.4 mm-40 -110.1 156.12 20.99 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.809 0.338 . . . . 0.0 111.219 -179.268 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 7.2 tmm_? -134.96 130.29 35.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.172 -175.332 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 40.2 tt0 -144.83 125.96 14.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.185 177.198 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' SER . . . . . 0.447 ' HA ' ' HG2' ' A' ' 82' ' ' ARG . 66.7 m -71.45 144.82 49.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.216 178.076 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 91.7 mm-40 -127.75 121.48 30.37 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.212 -173.898 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -94.17 81.16 4.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.162 172.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 80.6 mt -94.51 125.38 51.99 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.134 -165.85 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 82.3 Cg_exo -52.53 135.04 54.58 Favored 'Trans proline' 0 N--CA 1.458 -0.611 0 C-N-CA 121.693 1.595 . . . . 0.0 111.22 -174.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 96.7 mt -74.29 -44.13 49.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.196 179.446 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 98.8 m-20 -64.98 -28.42 69.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.171 -176.572 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 99.0 mm-40 -90.05 -47.2 7.98 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.146 -177.275 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 90.5 m-85 -119.9 -40.51 2.73 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.157 -172.478 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 101.69 0.42 52.68 Favored Glycine 0 CA--C 1.523 0.578 0 N-CA-C 111.165 -0.774 . . . . 0.0 111.165 172.804 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 80.3 m -75.06 -46.52 34.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.83 0.348 . . . . 0.0 111.214 -175.62 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 88.03 -161.32 31.67 Favored Glycine 0 CA--C 1.523 0.581 0 N-CA-C 111.169 -0.772 . . . . 0.0 111.169 176.899 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 96.6 m-20 -87.46 -19.7 27.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.867 0.365 . . . . 0.0 111.224 -178.774 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 25.8 p -82.88 57.99 4.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.23 -179.037 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -152.32 144.09 23.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.185 -175.284 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . 0.447 ' HG2' ' HA ' ' A' ' 67' ' ' SER . 81.6 mtt85 -139.98 146.77 39.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.253 -179.016 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 64.4 tt0 -100.21 121.05 40.84 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.154 -178.855 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . 0.515 ' HB2' ' HB ' ' A' ' 93' ' ' VAL . 65.4 m-85 -117.13 109.98 17.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.163 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 92.8 t -113.01 109.61 29.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.194 -177.584 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.477 ' N ' HD21 ' A' ' 86' ' ' LEU . 2.1 pt? -140.76 172.43 12.71 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.252 -166.435 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 94.0 mtp 63.09 53.3 2.33 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.175 178.875 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 95.7 m-20 65.06 24.0 12.5 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.165 179.856 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 76.09 16.35 80.75 Favored Glycine 0 CA--C 1.523 0.542 0 N-CA-C 111.25 -0.74 . . . . 0.0 111.25 179.563 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -87.08 -25.48 24.14 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.788 0.327 . . . . 0.0 111.209 -177.239 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 63.0 tp -114.51 129.58 56.67 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.2 179.665 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -114.12 94.46 4.82 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.201 176.724 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . 0.515 ' HB ' ' HB2' ' A' ' 84' ' ' TYR . 90.9 t -89.26 127.87 41.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.106 178.155 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 88.6 mt -124.33 119.13 55.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.157 -170.657 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -65.03 141.79 43.94 Favored Glycine 0 CA--C 1.523 0.584 0 N-CA-C 111.211 -0.756 . . . . 0.0 111.211 172.712 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 46.0 t80 -169.3 155.0 6.12 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.806 0.336 . . . . 0.0 111.165 -168.566 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 50.1 p30 -141.95 -165.04 1.92 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.159 -179.651 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 95.4 m-85 -82.42 133.35 35.21 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.154 -177.086 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 10.2 t -134.59 -171.62 2.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.182 -172.324 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 40.7 p -125.39 -75.54 0.59 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.216 -172.372 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -56.78 -37.95 71.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.211 -171.075 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 27.1 ptm -82.35 6.53 16.73 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.142 -167.887 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 77.9 mt-30 -64.8 -23.93 67.39 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.2 172.67 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 95.5 p -92.15 -24.95 18.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.185 174.58 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 92.6 mt -69.8 -42.06 79.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.204 176.626 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 97.2 mt -58.25 -36.2 56.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.207 179.846 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 36.0 ttm180 -57.62 -36.54 71.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.211 178.527 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 67.9 m-20 -110.29 39.36 2.2 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.218 178.069 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 109' ' ' TYR . . . . . . . . . . . . . 92.6 t80 -145.06 -54.93 0.31 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.192 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 79.8 p -73.04 163.14 28.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.156 -172.858 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 50.5 m-20 -112.59 -31.89 6.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.184 174.406 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 59.4 tp -146.19 139.73 26.08 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.257 178.427 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 58.3 t -125.22 124.18 66.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.189 175.693 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 97.6 mt -96.4 125.31 49.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.147 175.756 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 48.7 m -119.93 161.49 20.78 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.188 -174.397 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 34.1 t-80 -109.99 144.76 38.06 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.234 -176.455 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -72.27 151.18 42.98 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.207 178.533 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 84.95 3.59 87.72 Favored Glycine 0 CA--C 1.524 0.606 0 N-CA-C 111.193 -0.763 . . . . 0.0 111.193 175.635 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 59.9 p -131.21 -179.71 5.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.795 0.331 . . . . 0.0 111.216 -177.504 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -97.7 5.03 61.86 Favored Glycine 0 CA--C 1.524 0.603 0 N-CA-C 111.2 -0.76 . . . . 0.0 111.2 -178.136 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 95.2 p -66.39 -27.34 67.78 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.763 0.316 . . . . 0.0 111.202 178.345 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 122' ' ' ILE . . . . . . . . . . . . . 92.2 mt -70.08 -46.19 73.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.18 176.197 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 56.5 tp -55.56 -38.75 69.73 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.209 175.825 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 98.9 m-20 -57.61 -50.01 74.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.223 177.133 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 78.2 p -72.75 -20.97 61.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.146 -177.633 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 85.0 mt -74.39 -32.21 62.64 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.218 172.907 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 36.8 mmt180 -82.53 -24.96 33.82 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.232 175.369 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 94.7 mt -74.25 -18.74 60.69 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.243 171.364 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 96.5 m-20 67.16 38.6 3.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.134 178.503 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 37.1 mmtm -110.08 154.11 42.9 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.207 178.78 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_exo -52.92 127.46 24.95 Favored 'Trans proline' 0 N--CA 1.457 -0.64 0 C-N-CA 121.735 1.623 . . . . 0.0 111.237 178.347 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 57.5 tp -95.21 112.18 23.93 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.231 -168.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 87.6 mt -101.45 119.72 50.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.129 165.847 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 96.3 t -102.16 119.83 51.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.152 -177.066 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 135' ' ' CYS . . . . . . . . . . . . . 90.8 m -92.69 131.69 37.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.162 175.351 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 136' ' ' VAL . . . . . 0.439 HG23 ' HA ' ' A' ' 162' ' ' ALA . 30.1 m -78.98 163.81 3.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.137 178.717 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 15.1 t-20 -97.18 170.06 9.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.213 -175.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 98.3 m-20 -80.3 -27.15 38.55 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.196 169.758 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 96.2 p -76.76 -17.4 59.08 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.173 178.566 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 55.1 tp -67.13 128.34 36.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.27 -178.665 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 141' ' ' MET . . . . . . . . . . . . . 58.2 ttm -60.48 139.59 57.66 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.262 -178.935 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 99.1 m-20 -57.38 -35.34 69.86 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.187 -178.016 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 99.3 m-20 -63.96 -35.41 80.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.237 176.174 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 144' ' ' HIS . . . . . . . . . . . . . 67.2 m170 -74.73 -31.07 61.72 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.174 177.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 145' ' ' GLN . . . . . . . . . . . . . 78.2 mt-30 -64.31 -40.71 96.45 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.215 175.343 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 146' ' ' GLN . . . . . . . . . . . . . 72.9 tp60 -70.03 -39.44 75.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.188 174.849 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 147' ' ' GLN . . . . . 0.444 ' OE1' ' OXT' ' A' ' 201' ' ' SER . 39.8 tt0 -55.0 -40.93 70.66 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.194 176.46 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 148' ' ' ILE . . . . . 0.526 HG13 ' O ' ' A' ' 201' ' ' SER . 82.1 mt -60.78 -50.19 81.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.191 175.867 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -62.68 -32.75 73.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.215 -179.258 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 99.1 m-20 -73.4 -48.16 36.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.137 -176.601 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 151' ' ' LYS . . . . . . . . . . . . . 74.7 mmtt -115.01 -59.82 1.97 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.168 -169.722 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 152' ' ' PHE . . . . . . . . . . . . . 90.3 t80 -55.11 -48.25 73.86 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.21 -168.434 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 153' ' ' VAL . . . . . . . . . . . . . 78.1 t -65.9 -30.17 49.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.225 -179.906 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 74.0 mm-40 -84.89 -3.42 58.69 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.168 -174.537 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 155' ' ' LEU . . . . . . . . . . . . . 87.7 mt -61.38 -34.79 75.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.175 178.053 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . 91.79 12.53 59.16 Favored Glycine 0 CA--C 1.523 0.559 0 N-CA-C 111.212 -0.755 . . . . 0.0 111.212 176.595 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 157' ' ' TYR . . . . . . . . . . . . . 95.2 m-85 -112.55 -43.29 3.5 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.839 0.352 . . . . 0.0 111.189 178.715 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 158' ' ' VAL . . . . . . . . . . . . . 66.6 t -131.89 132.11 61.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.128 -173.496 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 159' ' ' TRP . . . . . . . . . . . . . 63.4 t-105 -90.05 139.05 30.99 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.206 171.218 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 160' ' ' SER . . . . . . . . . . . . . 45.8 t -132.31 142.87 49.52 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.184 178.051 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 161' ' ' CYS . . . . . . . . . . . . . 31.6 p -154.14 175.08 13.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.2 -175.341 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 162' ' ' ALA . . . . . 0.439 ' HA ' HG23 ' A' ' 136' ' ' VAL . . . -83.24 140.17 42.23 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.218 176.043 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 163' ' ' PRO . . . . . . . . . . . . . 84.3 Cg_endo -78.18 65.12 8.45 Favored 'Trans proline' 0 N--CA 1.459 -0.557 0 C-N-CA 121.643 1.562 . . . . 0.0 111.22 179.793 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 164' ' ' THR . . . . . . . . . . . . . 18.8 p -125.03 179.93 4.83 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.174 178.616 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 165' ' ' GLU . . . . . . . . . . . . . 22.9 pt-20 -70.07 -10.04 57.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.213 178.685 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 166' ' ' THR . . . . . . . . . . . . . 74.0 p -111.99 -36.78 5.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.169 -178.707 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 167' ' ' GLY . . . . . . . . . . . . . . . -74.3 -37.12 48.7 Favored Glycine 0 CA--C 1.523 0.585 0 N-CA-C 111.161 -0.776 . . . . 0.0 111.161 -177.555 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 168' ' ' LEU . . . . . . . . . . . . . 96.3 mt -67.61 -31.52 71.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.798 0.332 . . . . 0.0 111.208 179.093 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 83.9 mt -64.56 -45.18 96.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.205 175.207 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 170' ' ' ALA . . . . . . . . . . . . . . . -62.68 -37.89 88.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.172 178.102 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 171' ' ' GLY . . . . . . . . . . . . . . . -62.96 -45.82 94.84 Favored Glycine 0 CA--C 1.523 0.578 0 N-CA-C 111.144 -0.782 . . . . 0.0 111.144 176.769 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 84.0 mt -61.43 -42.95 99.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.782 0.325 . . . . 0.0 111.135 179.476 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 173' ' ' ARG . . . . . . . . . . . . . 35.2 ttm180 -64.14 -40.1 95.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.204 178.422 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -64.95 -40.11 94.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.276 -178.26 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 60.5 p -64.98 -25.5 67.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.234 -177.922 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 176' ' ' GLN . . . . . . . . . . . . . 89.7 mm-40 -102.4 -27.6 12.72 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.156 -175.433 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 177' ' ' THR . . . . . . . . . . . . . 96.7 m -99.8 -53.53 3.15 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.168 -175.192 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 178' ' ' GLU . . . . . . . . . . . . . 75.7 mm-40 -82.14 141.74 32.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.236 -173.205 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 179' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -80.06 110.11 15.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.183 177.624 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 180' ' ' LEU . . . . . . . . . . . . . 93.7 mt -105.24 122.65 46.38 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.203 175.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 181' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -80.21 154.96 74.8 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.194 -177.845 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 182' ' ' PRO . . . . . . . . . . . . . 78.2 Cg_exo -55.17 129.14 33.65 Favored 'Trans proline' 0 N--CA 1.457 -0.651 0 C-N-CA 121.693 1.596 . . . . 0.0 111.241 -178.663 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 183' ' ' PHE . . . . . . . . . . . . . 12.3 t80 -60.15 122.25 65.23 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.231 178.196 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 184' ' ' PRO . . . . . . . . . . . . . 94.3 Cg_exo -55.77 -37.31 95.76 Favored 'Trans proline' 0 N--CA 1.459 -0.548 0 C-N-CA 121.643 1.562 . . . . 0.0 111.197 -170.392 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 185' ' ' VAL . . . . . . . . . . . . . 87.2 t -64.63 123.5 17.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.193 -173.898 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 186' ' ' SER . . . . . . . . . . . . . 87.0 p -121.66 0.13 9.8 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.154 176.774 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 187' ' ' HIS . . . . . . . . . . . . . 92.0 m-70 -115.72 149.4 38.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.206 -176.689 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 188' ' ' ASN . . . . . 0.477 ' N ' ' CD ' ' A' ' 189' ' ' PRO . 98.5 m-20 -70.1 -47.22 21.75 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.183 -177.175 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 189' ' ' PRO . . . . . 0.477 ' CD ' ' N ' ' A' ' 188' ' ' ASN . 51.6 Cg_exo -56.83 -39.55 90.59 Favored 'Trans proline' 0 N--CA 1.458 -0.612 0 C-N-CA 121.652 1.568 . . . . 0.0 111.2 178.446 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 190' ' ' SER . . . . . . . . . . . . . 72.7 m -69.13 -39.86 78.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.149 179.323 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 191' ' ' PHE . . . . . . . . . . . . . 62.0 t80 -56.34 -46.95 79.7 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.197 174.638 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 192' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -59.82 -33.45 71.76 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.204 -175.236 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 193' ' ' ARG . . . . . . . . . . . . . 79.9 ttt180 -68.83 -61.37 1.84 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.206 177.222 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 194' ' ' LEU . . . . . . . . . . . . . 1.9 mp -65.15 -24.21 67.33 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.228 -175.194 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 195' ' ' LEU . . . . . 0.417 ' HA ' HD13 ' A' ' 199' ' ' ILE . 61.3 tp -48.74 -44.99 39.02 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.224 178.917 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 196' ' ' VAL . . . . . . . . . . . . . 93.5 t -86.72 -48.07 15.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.136 176.888 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 197' ' ' GLU . . . . . . . . . . . . . 92.3 mt-10 -58.89 -53.63 56.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.188 -167.902 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 198' ' ' THR . . . . . . . . . . . . . 70.6 p -114.36 -38.96 3.94 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.226 -167.738 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 199' ' ' ILE . . . . . 0.417 HD13 ' HA ' ' A' ' 195' ' ' LEU . 93.6 mt -74.52 -58.57 4.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.162 -174.137 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 200' ' ' TYR . . . . . . . . . . . . . 87.7 t80 -71.39 -59.29 2.84 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.137 178.159 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 201' ' ' SER . . . . . 0.526 ' O ' HG13 ' A' ' 148' ' ' ILE . 40.4 t . . . . . 0 C--O 1.2 -1.504 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.215 178.204 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.571 0 N-CA-C 111.218 -0.753 . . . . 0.0 111.218 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 96.7 mt -65.09 -45.0 95.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-O 120.722 0.296 . . . . 0.0 111.152 -179.434 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 97.1 mt -70.02 -49.52 55.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.17 179.282 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -152.72 131.49 12.4 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.181 178.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -95.0 83.44 3.95 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.232 176.661 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 88.8 mttt -74.5 151.47 39.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.211 -174.316 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . 0.413 ' HB1' ' HA ' ' A' ' 110' ' ' SER . . . -120.39 140.87 50.7 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.24 -176.878 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 63.2 tp -123.79 113.95 19.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.196 -173.916 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 62.4 t80 -89.71 106.55 18.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.17 -176.842 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 89.7 t -103.13 115.35 44.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.217 -177.459 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 96.4 m -101.74 110.21 22.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.172 176.566 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 90.1 m -79.81 140.42 36.86 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.233 -179.282 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -84.45 170.27 46.34 Favored Glycine 0 CA--C 1.523 0.574 0 N-CA-C 111.233 -0.747 . . . . 0.0 111.233 -179.231 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -97.53 -5.01 36.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.776 0.322 . . . . 0.0 111.162 -178.113 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 69.5 p -87.63 -19.46 27.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.21 -178.556 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 79.6 t -114.87 130.17 24.4 Favored Pre-proline 0 C--N 1.33 -0.249 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.152 176.458 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 85.6 Cg_exo -48.55 126.87 15.01 Favored 'Trans proline' 0 N--CA 1.459 -0.557 0 C-N-CA 121.674 1.583 . . . . 0.0 111.209 177.611 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . 0.522 ' N ' ' CD ' ' A' ' 19' ' ' PRO . 18.3 m-85 -61.58 -44.55 92.11 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.242 -175.247 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . 0.522 ' CD ' ' N ' ' A' ' 18' ' ' PHE . 67.8 Cg_exo -55.02 -35.15 89.48 Favored 'Trans proline' 0 N--CA 1.458 -0.588 0 C-N-CA 121.725 1.617 . . . . 0.0 111.178 178.289 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -91.87 -18.85 23.19 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.237 -176.215 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 36.6 tp -81.28 -38.85 26.16 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.231 -177.353 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 27.1 m -67.42 -17.17 22.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.208 -175.66 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 60.5 p -66.96 -16.42 64.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.192 179.875 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 78.0 m -84.82 -14.96 46.45 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.246 -179.853 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 35.7 m -118.75 -3.58 10.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.186 -179.089 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 96.2 mt -117.28 12.43 14.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.161 179.11 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 69.6 p -74.97 159.95 31.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.162 178.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 98.9 m-20 -62.87 -36.92 84.87 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.171 177.43 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 76.7 mm-40 -71.99 -43.85 64.42 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.242 -178.755 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 46.8 t80 -64.95 -49.24 71.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.21 -179.096 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 81.2 m -67.62 -40.03 84.69 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.207 -174.518 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 66.3 tt0 -56.7 -55.81 29.41 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.245 175.749 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 69.7 mm-40 -64.39 -40.7 96.33 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.204 179.356 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 37.9 tp -48.07 -50.92 26.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.225 174.459 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 94.3 mt -62.44 -40.06 86.67 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.196 178.582 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 99.8 mm-40 -64.86 -23.87 67.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.236 -179.147 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 13.7 m-30 -87.34 -5.02 59.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.154 -179.802 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 99.63 5.06 55.7 Favored Glycine 0 CA--C 1.524 0.597 0 N-CA-C 111.266 -0.734 . . . . 0.0 111.266 176.201 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 68.4 m-85 -96.24 122.31 38.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.83 0.348 . . . . 0.0 111.213 -175.908 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 34.0 m -130.28 -11.3 2.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.188 -178.492 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 74.9 mtm180 -107.16 88.07 2.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.244 -179.762 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.402 ' HB3' HG23 ' A' ' 93' ' ' VAL . 53.0 tp -90.55 124.71 35.24 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.193 -175.898 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.449 HG23 ' CD1' ' A' ' 96' ' ' PHE . 3.3 mp -109.93 123.05 65.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.214 177.892 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 80.9 mt -118.65 111.69 34.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.111 179.31 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 62.3 tp60 -85.11 126.95 34.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.205 -175.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 52.4 m-85 -110.08 155.02 22.44 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.19 173.117 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -80.34 -171.24 43.06 Favored Glycine 0 CA--C 1.524 0.641 0 N-CA-C 111.145 -0.782 . . . . 0.0 111.145 178.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 83.4 mtp180 -79.96 -19.97 46.69 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.827 0.346 . . . . 0.0 111.215 -176.733 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 72.6 m-80 -104.74 14.88 28.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.208 -178.227 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 81.9 m-85 -130.78 150.49 51.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.17 -176.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 41.1 t -120.75 120.34 35.35 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.215 -174.735 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 60.6 p -69.86 86.61 0.51 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.19 176.497 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -123.19 106.87 11.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.222 177.806 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 23.1 m-85 -114.88 17.96 16.71 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.213 178.742 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 85.8 tt0 -57.49 -35.59 70.41 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.217 -175.925 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 43.0 p-80 -79.56 -10.89 59.88 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.231 -177.719 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 98.9 mt -96.95 -37.19 10.29 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.231 -177.116 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 22.5 m -68.64 -17.15 21.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.206 -179.023 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 88.8 mt-30 -64.54 -27.22 68.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.165 171.049 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 94.2 mt-10 -104.97 18.78 21.76 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.227 176.382 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 89.2 mmt-85 -129.56 -0.02 4.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.142 178.611 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 76.28 39.57 31.04 Favored Glycine 0 CA--C 1.523 0.538 0 N-CA-C 111.208 -0.757 . . . . 0.0 111.208 173.673 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -147.92 -146.37 4.33 Favored Glycine 0 CA--C 1.524 0.616 0 N-CA-C 111.197 -0.761 . . . . 0.0 111.197 -179.266 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 20.4 pt20 -168.57 171.3 8.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.814 0.34 . . . . 0.0 111.163 -172.591 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 67.3 ttp85 -99.97 140.02 34.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.207 179.767 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 87.3 tt0 -147.86 113.51 5.69 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.236 174.343 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 39.9 t -69.93 134.43 48.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.136 174.034 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 17.0 mm-40 -129.57 141.28 50.99 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.19 -176.11 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -95.06 65.02 2.84 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.214 172.455 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 86.7 mt -79.37 133.43 60.13 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.159 -178.615 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 56.0 Cg_endo -72.2 171.09 17.55 Favored 'Trans proline' 0 N--CA 1.458 -0.598 0 C-N-CA 121.699 1.599 . . . . 0.0 111.227 -176.55 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 47.7 pt -81.9 -8.51 11.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.182 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 69.7 m-20 -89.63 -23.31 21.95 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.171 -179.103 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 63.6 tp60 -82.24 -67.28 0.8 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.218 -177.21 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . 0.403 ' HB2' ' SG ' ' A' ' 77' ' ' CYS . 51.0 m-85 -125.7 2.36 7.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.257 -179.835 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 83.26 39.46 9.92 Favored Glycine 0 CA--C 1.524 0.612 0 N-CA-C 111.148 -0.781 . . . . 0.0 111.148 -179.321 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' CYS . . . . . 0.403 ' SG ' ' HB2' ' A' ' 75' ' ' PHE . 72.5 m -112.28 -178.33 3.39 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.838 0.351 . . . . 0.0 111.191 -173.955 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -139.49 -143.39 4.39 Favored Glycine 0 CA--C 1.523 0.541 0 N-CA-C 111.226 -0.75 . . . . 0.0 111.226 176.232 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 55.8 p-10 -102.51 8.45 39.93 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.812 0.339 . . . . 0.0 111.289 -175.252 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 73.2 p -121.39 28.79 7.57 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.241 171.781 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -93.15 137.25 32.66 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.173 171.757 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 95.9 mtt180 -122.39 112.52 18.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.162 -175.27 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 56.3 tt0 -78.58 137.33 37.82 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.213 179.192 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 96.4 m-85 -130.02 134.78 47.64 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.19 178.639 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . 0.454 HG13 ' HA2' ' A' ' 89' ' ' GLY . 86.3 t -91.72 117.21 34.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.166 176.698 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 4.0 mp -122.16 156.54 33.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.206 179.598 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 83.8 mmm 59.96 38.76 20.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.205 174.836 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 78.0 m-20 60.31 34.86 20.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.183 177.075 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . 0.454 ' HA2' HG13 ' A' ' 85' ' ' VAL . . . 94.3 2.94 63.56 Favored Glycine 0 CA--C 1.523 0.562 0 N-CA-C 111.156 -0.777 . . . . 0.0 111.156 172.643 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -85.96 -22.01 27.58 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.775 0.322 . . . . 0.0 111.195 -178.331 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 61.4 tp -123.59 133.01 54.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.131 179.44 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -109.5 108.63 19.18 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.222 177.423 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . 0.402 HG23 ' HB3' ' A' ' 42' ' ' LEU . 60.5 t -108.75 124.45 65.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.199 -178.491 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 82.1 mt -114.71 120.56 64.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.174 178.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -85.0 133.97 12.24 Favored Glycine 0 CA--C 1.523 0.589 0 N-CA-C 111.2 -0.76 . . . . 0.0 111.2 174.861 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' PHE . . . . . 0.449 ' CD1' HG23 ' A' ' 43' ' ' ILE . 61.7 m-85 -114.87 107.77 15.85 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.813 0.34 . . . . 0.0 111.16 -175.013 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 70.4 m-20 -94.31 67.15 3.48 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.23 171.298 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 91.6 m-85 -129.63 164.69 23.35 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.218 -177.199 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 77.3 p -75.12 -176.29 2.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.142 173.176 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 68.6 p -74.89 -5.42 43.6 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.173 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -63.86 -30.07 71.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.226 176.088 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 24.5 mmt -91.33 -0.31 57.64 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.207 -179.439 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 29.2 tt0 -64.27 -60.09 3.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.264 -176.505 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 73.7 m -65.11 -32.8 74.68 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.259 -179.061 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 95.9 mt -61.7 -46.38 96.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.255 179.081 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 84.8 mt -72.61 -38.06 58.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.157 -179.08 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 42.2 mtm105 -61.83 -26.19 67.97 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.21 -176.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 99.0 m-20 -64.36 -23.63 67.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.236 176.441 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 109' ' ' TYR . . . . . . . . . . . . . 96.3 m-85 -97.26 -24.0 15.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.207 -179.909 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 110' ' ' SER . . . . . 0.413 ' HA ' ' HB1' ' A' ' 7' ' ' ALA . 54.6 p -70.65 163.58 26.76 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.246 179.722 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 61.9 m-20 -108.97 -40.48 5.0 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.187 176.068 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 94.4 mt -123.93 154.84 39.17 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.234 173.892 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 94.6 t -124.08 124.96 70.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.228 -179.379 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 97.6 mt -105.85 129.04 59.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.169 174.396 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 33.3 t -115.09 114.45 25.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.151 177.141 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 86.8 m-70 -86.87 143.12 27.58 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.187 -178.792 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . 54.89 50.65 15.15 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.195 170.678 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 128.59 -173.33 19.22 Favored Glycine 0 CA--C 1.524 0.596 0 N-CA-C 111.211 -0.755 . . . . 0.0 111.211 176.682 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 57.9 p -109.32 35.38 3.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.769 0.318 . . . . 0.0 111.187 -173.884 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -58.2 -41.21 94.68 Favored Glycine 0 CA--C 1.523 0.586 0 N-CA-C 111.159 -0.776 . . . . 0.0 111.159 -172.594 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 71.0 m -109.13 30.4 6.61 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.804 0.335 . . . . 0.0 111.219 -175.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 122' ' ' ILE . . . . . . . . . . . . . 48.8 mm -104.81 -52.77 7.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.193 178.572 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 97.9 mt -66.09 -22.8 66.42 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.093 175.711 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 94.9 m-20 -78.66 -17.95 55.18 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.223 177.555 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 39.4 m -114.87 35.0 4.5 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.217 -170.603 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 94.5 mt -89.97 -25.98 20.61 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.235 -179.414 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 98.5 mtt180 -78.02 -22.64 48.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.223 179.233 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 93.7 mt -66.81 -34.6 78.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.233 175.689 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 78.8 m-20 64.97 35.02 8.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.189 -179.813 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 40.5 mmtm -114.03 153.74 46.17 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.185 179.652 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_exo -49.59 123.74 10.98 Favored 'Trans proline' 0 N--CA 1.458 -0.61 0 C-N-CA 121.603 1.535 . . . . 0.0 111.293 175.334 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 81.4 mt -108.2 139.97 42.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.198 -176.832 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 87.3 mt -116.4 130.24 71.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.223 -177.224 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 86.3 t -116.22 125.01 73.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.197 172.283 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 135' ' ' CYS . . . . . . . . . . . . . 47.2 t -105.57 110.02 22.2 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.224 178.75 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 97.0 t -75.71 135.6 26.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.163 -175.344 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 42.1 p30 -80.02 -174.36 4.41 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.19 -175.699 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 57.0 p-10 -99.49 15.28 27.0 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.235 -172.76 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 82.6 p -91.95 -9.98 41.09 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.171 177.442 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 87.9 mt -110.71 162.3 14.9 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.158 178.158 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 141' ' ' MET . . . . . . . . . . . . . 97.2 mmm -89.91 171.73 9.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.179 -176.293 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 99.1 m-20 -65.16 -35.32 80.74 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.245 178.85 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 99.0 m-20 -64.91 -35.78 82.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.224 174.313 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 144' ' ' HIS . . . . . . . . . . . . . 44.1 m170 -64.93 -39.99 94.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.209 174.838 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 145' ' ' GLN . . . . . . . . . . . . . 88.1 mt-30 -62.21 -39.79 93.95 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.202 178.65 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 146' ' ' GLN . . . . . . . . . . . . . 72.4 tp60 -64.93 -44.28 90.02 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.193 179.125 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 147' ' ' GLN . . . . . . . . . . . . . 88.4 mt-30 -64.91 -38.1 89.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.142 179.082 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 148' ' ' ILE . . . . . . . . . . . . . 89.3 mt -64.71 -45.08 96.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.219 175.779 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -64.25 -39.85 94.79 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.163 -179.676 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 95.7 m-20 -58.68 -41.85 87.13 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.196 -179.221 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 151' ' ' LYS . . . . . . . . . . . . . 96.5 mttt -73.66 -30.74 63.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.204 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 152' ' ' PHE . . . . . . . . . . . . . 15.5 m-30 -69.98 -28.45 65.55 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.225 175.395 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 153' ' ' VAL . . . . . . . . . . . . . 55.1 t -69.73 -40.04 78.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.198 171.623 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -61.41 -35.19 76.84 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.168 175.294 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 155' ' ' LEU . . . . . . . . . . . . . 82.2 mt -68.23 -50.21 55.56 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.297 173.15 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . 84.96 16.63 64.83 Favored Glycine 0 CA--C 1.524 0.629 0 N-CA-C 111.19 -0.764 . . . . 0.0 111.19 168.912 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 157' ' ' TYR . . . . . 0.417 ' HA ' HD13 ' A' ' 180' ' ' LEU . 54.4 p90 -143.8 8.12 1.48 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.803 0.335 . . . . 0.0 111.142 175.695 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 158' ' ' VAL . . . . . . . . . . . . . 55.7 t -120.21 134.49 63.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.244 -178.083 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 159' ' ' TRP . . . . . . . . . . . . . 81.0 m95 -97.73 146.64 25.16 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.159 175.431 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 160' ' ' SER . . . . . . . . . . . . . 41.3 t -110.45 115.68 30.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.158 174.139 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 161' ' ' CYS . . . . . . . . . . . . . 92.9 m -114.03 149.64 35.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.222 -178.746 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -81.63 159.62 66.23 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.214 174.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 163' ' ' PRO . . . . . . . . . . . . . 89.9 Cg_endo -78.47 60.75 7.67 Favored 'Trans proline' 0 N--CA 1.458 -0.593 0 C-N-CA 121.763 1.642 . . . . 0.0 111.175 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 164' ' ' THR . . . . . . . . . . . . . 36.7 p -136.05 173.66 11.47 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.197 178.735 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 165' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -70.62 -29.23 65.56 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.198 -178.631 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 166' ' ' THR . . . . . . . . . . . . . 81.9 p -103.55 -21.25 13.78 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.253 -174.083 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 167' ' ' GLY . . . . . . . . . . . . . . . -66.33 -37.43 92.82 Favored Glycine 0 CA--C 1.524 0.604 0 N-CA-C 111.209 -0.756 . . . . 0.0 111.209 -179.274 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 168' ' ' LEU . . . . . . . . . . . . . 52.2 tp -74.89 -47.82 28.05 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.798 0.333 . . . . 0.0 111.2 -177.906 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 10.4 tp -65.27 -25.35 37.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.18 -177.672 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 170' ' ' ALA . . . . . . . . . . . . . . . -65.16 -41.5 94.62 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.215 174.466 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 171' ' ' GLY . . . . . . . . . . . . . . . -69.26 -34.4 75.03 Favored Glycine 0 CA--C 1.524 0.629 0 N-CA-C 111.167 -0.773 . . . . 0.0 111.167 177.846 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 30.6 tp -65.07 -39.96 94.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.81 0.338 . . . . 0.0 111.235 176.12 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 173' ' ' ARG . . . . . . . . . . . . . 40.6 ttm180 -58.96 -46.06 88.98 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.208 171.497 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -57.77 -38.71 75.91 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.199 -177.904 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 73.7 m -57.57 -36.7 72.04 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.23 177.295 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 176' ' ' GLN . . . . . . . . . . . . . 91.7 mm-40 -97.78 -4.96 35.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.104 -173.647 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 177' ' ' THR . . . . . . . . . . . . . 93.3 m -113.82 -50.15 2.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.181 -174.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 178' ' ' GLU . . . . . . . . . . . . . 72.4 mm-40 -93.16 155.11 17.67 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.215 -176.212 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 179' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -95.49 120.4 35.68 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.249 -177.535 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 180' ' ' LEU . . . . . 0.417 HD13 ' HA ' ' A' ' 157' ' ' TYR . 95.2 mt -93.47 160.7 14.68 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.205 173.023 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 181' ' ' LYS . . . . . . . . . . . . . 94.8 mttt -103.0 159.96 27.66 Favored Pre-proline 0 C--N 1.327 -0.388 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.259 -175.572 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 182' ' ' PRO . . . . . . . . . . . . . 65.9 Cg_exo -54.14 147.82 42.72 Favored 'Trans proline' 0 N--CA 1.458 -0.579 0 C-N-CA 121.692 1.595 . . . . 0.0 111.22 179.06 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 183' ' ' PHE . . . . . 0.469 ' HD1' ' N ' ' A' ' 183' ' ' PHE . 2.5 m-30 -69.92 124.55 90.89 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.165 -171.629 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 184' ' ' PRO . . . . . . . . . . . . . 83.7 Cg_endo -78.28 0.21 10.11 Favored 'Trans proline' 0 N--CA 1.459 -0.551 0 C-N-CA 121.668 1.579 . . . . 0.0 111.194 177.661 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 185' ' ' VAL . . . . . . . . . . . . . 5.7 m -66.59 -22.14 29.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.23 -175.234 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 186' ' ' SER . . . . . . . . . . . . . 97.7 p -95.29 0.06 53.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.243 178.484 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 187' ' ' HIS . . . . . . . . . . . . . 97.5 m-70 -129.93 -5.06 4.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.217 -176.699 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 188' ' ' ASN . . . . . . . . . . . . . 64.0 t-20 -152.97 105.96 2.65 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.24 -177.877 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 189' ' ' PRO . . . . . . . . . . . . . 51.9 Cg_exo -63.54 -15.08 46.44 Favored 'Trans proline' 0 N--CA 1.458 -0.596 0 C-N-CA 121.753 1.636 . . . . 0.0 111.178 -173.433 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 190' ' ' SER . . . . . . . . . . . . . 60.9 p -64.79 -11.89 41.75 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.17 -173.924 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 191' ' ' PHE . . . . . . . . . . . . . 7.1 p90 -60.05 -24.49 64.6 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.203 176.703 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 192' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -73.6 -10.54 59.81 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.197 179.346 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 193' ' ' ARG . . . . . . . . . . . . . 79.0 ttt180 -99.98 -39.69 8.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.24 176.525 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 194' ' ' LEU . . . . . . . . . . . . . 93.5 mt -65.84 -35.12 79.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.212 -173.701 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 195' ' ' LEU . . . . . 0.47 ' HA ' HD13 ' A' ' 195' ' ' LEU . 1.1 mm? -84.19 -39.99 18.68 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.208 -177.412 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 196' ' ' VAL . . . . . . . . . . . . . 54.2 t -70.5 -36.5 66.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.166 -173.191 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 197' ' ' GLU . . . . . . . . . . . . . 83.9 mt-10 -61.9 -30.42 70.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.201 -179.634 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 198' ' ' THR . . . . . . . . . . . . . 87.0 m -68.6 -55.33 11.93 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.198 178.852 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 199' ' ' ILE . . . . . . . . . . . . . 15.9 tt -68.02 -22.71 28.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.211 -179.249 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 200' ' ' TYR . . . . . . . . . . . . . 92.6 t80 -67.31 -49.61 63.45 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.213 172.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 201' ' ' SER . . . . . . . . . . . . . 91.7 p . . . . . 0 C--O 1.199 -1.562 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.191 179.539 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.543 0 N-CA-C 111.182 -0.767 . . . . 0.0 111.182 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 46.2 pt -99.52 0.0 10.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.712 0.292 . . . . 0.0 111.148 -179.077 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 97.2 mt -68.56 -51.35 47.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.227 -177.601 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -103.6 -29.99 10.76 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.159 -173.505 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 -87.43 153.22 21.61 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.177 -175.141 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 68.0 mmtt -61.03 111.93 1.88 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.198 -172.608 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -125.23 130.24 51.69 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.227 -175.893 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 60.5 tp -106.54 126.45 52.28 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.195 178.338 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 67.0 t80 -106.77 119.93 40.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.291 -177.634 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 89.7 t -105.64 131.83 54.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.162 177.523 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 96.8 m -113.62 123.23 49.45 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.216 -175.855 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 75.2 m -94.62 144.58 25.49 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.257 166.5 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -63.38 138.08 43.06 Favored Glycine 0 CA--C 1.523 0.562 0 N-CA-C 111.243 -0.743 . . . . 0.0 111.243 -178.594 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.16 -34.13 76.97 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.798 0.332 . . . . 0.0 111.236 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 82.4 p -108.47 -24.93 11.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.215 177.68 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 44.2 t -125.01 87.16 55.8 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.236 179.662 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 57.3 Cg_endo -68.29 154.97 70.95 Favored 'Trans proline' 0 N--CA 1.458 -0.58 0 C-N-CA 121.719 1.613 . . . . 0.0 111.184 177.716 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 78.7 m-85 -127.91 75.02 78.61 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.215 -176.519 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 37.9 Cg_endo -66.59 -24.81 47.98 Favored 'Trans proline' 0 N--CA 1.457 -0.62 0 C-N-CA 121.724 1.616 . . . . 0.0 111.169 -179.209 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -64.6 -38.61 91.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.249 179.261 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 95.1 mt -79.74 -35.86 38.16 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.117 -179.816 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.402 ' HA ' HG23 ' A' ' 25' ' ' VAL . 65.6 t -69.99 -29.76 41.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.174 -179.755 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 56.0 p -65.03 -23.16 67.11 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.206 178.824 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 95.6 m -90.1 -39.68 12.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.174 -175.168 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.402 HG23 ' HA ' ' A' ' 22' ' ' VAL . 18.1 m -70.66 -18.27 20.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.171 -178.832 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 96.4 mt -94.07 -6.57 44.81 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.185 177.41 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 47.8 m -77.31 151.3 35.06 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.186 178.374 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 99.1 m-20 -62.42 -34.07 76.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.235 -175.135 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -61.09 -47.42 86.37 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.237 -178.237 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 52.4 t80 -65.53 -46.42 79.66 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.146 176.811 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 87.0 m -64.98 -29.84 70.79 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.212 -175.065 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 72.2 tp60 -64.45 -47.61 78.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.189 176.717 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 69.9 mm-40 -68.69 -37.73 79.78 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.2 175.921 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 48.8 tp -54.93 -53.28 57.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.202 177.583 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 97.7 mt -64.91 -36.36 77.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.242 178.126 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 71.9 tp60 -60.03 -29.99 68.88 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.213 176.926 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 16.5 m-30 -83.77 -6.54 59.46 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.189 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 106.8 -4.69 36.58 Favored Glycine 0 CA--C 1.524 0.615 0 N-CA-C 111.206 -0.757 . . . . 0.0 111.206 177.179 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 57.0 m-85 -88.53 123.33 32.93 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.757 0.313 . . . . 0.0 111.233 -174.58 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 29.3 m -124.6 -4.91 6.45 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.25 -174.255 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 87.0 mtt-85 -122.29 133.83 54.67 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.152 176.731 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 64.5 tp -135.79 114.84 12.26 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.258 -175.163 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 4.7 mp -115.32 120.07 63.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.257 -173.61 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 5.1 mp -110.2 116.13 51.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.21 -177.158 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 1.2 tm0? -86.18 128.81 34.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.296 176.501 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 33.8 p90 -146.58 179.86 7.26 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.135 178.725 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -137.51 89.01 0.21 Allowed Glycine 0 CA--C 1.525 0.667 0 N-CA-C 111.168 -0.773 . . . . 0.0 111.168 -158.546 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 85.3 mtp180 68.0 -107.93 0.09 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.823 0.344 . . . . 0.0 111.172 165.736 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 97.1 m-20 -58.77 -29.89 67.14 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.235 -169.342 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 70.4 t80 -55.57 -33.62 64.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.231 179.186 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 85.9 p -52.91 -31.54 40.46 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.156 -174.399 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 73.6 m -61.68 -39.65 92.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.182 177.493 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 75.6 mm-40 -79.92 -34.25 39.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.255 178.61 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 88.2 t80 -59.09 -48.35 81.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.218 -179.03 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 84.6 tt0 -57.34 -38.62 74.41 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.202 176.516 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 67.0 m170 -69.79 -31.77 69.88 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.227 179.906 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 91.8 mt -70.82 -30.79 67.32 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.203 177.106 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 71.2 t -74.97 -39.09 44.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.212 172.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 98.1 mm-40 -79.78 -8.57 59.34 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.184 179.147 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 52.3 tp10 -65.81 -30.01 70.57 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.243 170.178 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 41.0 mmt180 -109.7 -0.04 18.72 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.159 179.468 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 82.02 38.74 12.69 Favored Glycine 0 CA--C 1.524 0.633 0 N-CA-C 111.146 -0.781 . . . . 0.0 111.146 172.479 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -77.64 174.44 54.74 Favored Glycine 0 CA--C 1.523 0.593 0 N-CA-C 111.151 -0.78 . . . . 0.0 111.151 175.874 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 65.5 tp60 -120.85 120.03 34.36 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.81 0.338 . . . . 0.0 111.236 -179.882 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 62.0 ttp85 -82.27 134.97 35.3 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.234 174.328 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -136.28 142.51 43.95 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.238 178.835 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 38.0 t -90.94 105.66 17.98 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.203 179.427 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 90.7 mm-40 -124.93 153.14 43.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.236 -178.613 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -90.77 74.95 6.56 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.201 177.543 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 49.9 mm -65.99 118.46 52.51 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.263 -175.352 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 77.1 Cg_exo -58.96 156.96 30.93 Favored 'Trans proline' 0 N--CA 1.458 -0.617 0 C-N-CA 121.722 1.615 . . . . 0.0 111.189 -174.315 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 96.8 mt -87.33 -40.2 13.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.16 173.322 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 15.7 p-10 -77.27 -16.32 59.04 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.264 -172.874 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 96.8 mm-40 -108.39 -22.77 12.18 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.196 -179.032 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 84.5 m-85 -129.12 -59.99 1.09 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.127 177.354 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 121.46 24.25 2.43 Favored Glycine 0 CA--C 1.523 0.564 0 N-CA-C 111.16 -0.776 . . . . 0.0 111.16 -178.111 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 76.7 m -112.47 147.05 37.34 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.738 0.304 . . . . 0.0 111.203 -178.763 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -97.91 -137.85 9.88 Favored Glycine 0 CA--C 1.524 0.641 0 N-CA-C 111.179 -0.768 . . . . 0.0 111.179 175.482 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 58.4 p-10 -91.1 10.19 27.86 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.801 0.334 . . . . 0.0 111.213 174.19 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 41.8 p -109.44 37.37 2.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.197 179.042 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . 0.412 ' HA ' ' O ' ' A' ' 95' ' ' GLY . . . -141.34 150.95 43.14 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.218 177.118 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 90.2 mmt-85 -135.53 150.48 49.76 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.202 -174.836 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 30.4 tt0 -92.16 129.97 37.99 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.225 -179.799 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . 0.442 ' HB2' ' HB ' ' A' ' 93' ' ' VAL . 91.1 m-85 -122.9 120.56 33.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.198 -179.796 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 87.4 t -91.91 121.95 42.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.183 -176.547 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 95.3 mt -127.96 163.37 24.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.221 173.308 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 85.6 mmm 62.39 30.03 17.29 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.222 176.122 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 96.4 m-20 64.97 33.97 9.36 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.202 176.79 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 95.96 -3.15 64.54 Favored Glycine 0 CA--C 1.524 0.603 0 N-CA-C 111.202 -0.759 . . . . 0.0 111.202 175.476 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -79.61 -24.99 41.58 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.783 0.325 . . . . 0.0 111.204 -178.564 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 66.2 tp -116.08 120.07 37.89 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.177 176.625 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -98.65 103.2 15.13 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.224 178.119 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . 0.442 ' HB ' ' HB2' ' A' ' 84' ' ' TYR . 81.7 t -97.66 138.47 22.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.164 -177.314 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 86.4 mt -118.84 117.16 53.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.193 175.521 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . 0.412 ' O ' ' HA ' ' A' ' 81' ' ' ALA . . . -83.09 120.59 5.2 Favored Glycine 0 CA--C 1.524 0.597 0 N-CA-C 111.196 -0.762 . . . . 0.0 111.196 171.192 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 49.8 t80 -123.77 118.96 28.36 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.821 0.343 . . . . 0.0 111.225 -170.55 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 65.3 t0 -124.69 100.32 6.58 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.192 177.396 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 22.8 t80 -166.42 164.98 17.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.166 179.824 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 82.8 p -70.01 180.0 2.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.161 179.463 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' THR . . . . . 0.432 ' HA ' ' HB2' ' A' ' 103' ' ' GLN . 80.7 p -71.86 -5.85 37.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.166 -171.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -59.97 -29.73 68.63 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.158 -179.127 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 66.9 mtt -124.94 -4.91 7.48 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.238 -175.475 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' GLN . . . . . 0.432 ' HB2' ' HA ' ' A' ' 100' ' ' THR . 78.1 mt-30 -64.43 -44.21 91.91 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.175 172.347 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 75.1 m -69.17 -25.41 64.34 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.21 -176.014 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 96.4 mt -64.13 -48.15 87.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.228 173.425 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 97.8 mt -66.82 -40.18 85.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.17 176.437 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 86.9 mtm-85 -60.08 -42.57 94.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.14 177.055 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -64.77 -34.85 79.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.238 179.067 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 109' ' ' TYR . . . . . . . . . . . . . 13.9 m-30 -75.91 -35.6 59.73 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.134 178.397 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 59.7 p -70.12 169.75 12.9 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.249 -173.717 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 46.5 m-20 -110.41 -40.61 4.59 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.213 -177.765 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 88.3 mt -124.85 147.82 48.57 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.205 177.332 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 96.9 t -122.46 125.43 72.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.204 173.514 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 114' ' ' ILE . . . . . 0.429 HG12 ' HB ' ' A' ' 133' ' ' ILE . 87.2 mt -115.96 132.3 65.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.164 176.439 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 13.2 t -157.16 -171.46 3.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.235 175.586 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 59.0 t-80 -103.43 160.7 14.48 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.16 177.107 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -50.8 137.38 20.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.263 172.497 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 161.25 167.4 21.66 Favored Glycine 0 CA--C 1.523 0.59 0 N-CA-C 111.169 -0.772 . . . . 0.0 111.169 -175.144 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 40.5 p -73.63 -69.95 0.4 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.898 0.38 . . . . 0.0 111.2 -173.077 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -57.18 -36.94 77.54 Favored Glycine 0 CA--C 1.523 0.584 0 N-CA-C 111.198 -0.761 . . . . 0.0 111.198 179.637 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 39.3 t -58.22 -57.24 13.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.782 0.325 . . . . 0.0 111.21 -178.892 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 122' ' ' ILE . . . . . . . . . . . . . 93.9 mt -62.28 -38.39 80.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.188 -178.702 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 81.2 mt -61.86 -40.42 95.28 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.237 -175.21 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 87.1 m-20 -62.31 -49.96 73.56 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.189 -165.789 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 21.5 t -69.0 -41.94 77.13 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.212 -176.746 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 94.0 mt -75.32 -17.46 60.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.247 -177.441 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 44.9 ttm105 -59.49 -39.05 82.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.13 172.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 87.1 mt -103.58 4.89 36.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.255 178.567 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 92.8 m-20 64.98 34.49 8.88 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.156 177.474 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 33.3 mmtp -92.95 147.05 33.17 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.203 177.141 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_exo -53.5 126.69 22.57 Favored 'Trans proline' 0 N--CA 1.458 -0.588 0 C-N-CA 121.742 1.628 . . . . 0.0 111.188 178.779 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 53.6 tp -118.54 130.85 56.14 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.118 -175.628 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 133' ' ' ILE . . . . . 0.429 ' HB ' HG12 ' A' ' 114' ' ' ILE . 5.4 mp -109.93 117.03 53.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.103 -0.498 . . . . 0.0 111.224 172.07 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 95.0 t -108.77 114.96 48.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.219 -173.679 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 135' ' ' CYS . . . . . . . . . . . . . 93.0 m -78.27 131.27 37.02 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.239 170.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 82.4 t -118.53 106.01 18.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.241 -178.023 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 48.7 p30 -84.88 -171.81 3.84 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.174 176.47 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 58.1 p-10 -90.87 10.06 27.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.221 -171.902 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 57.5 m -88.39 -27.64 21.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.244 177.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 50.1 tp -71.74 129.37 38.49 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.223 177.243 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 141' ' ' MET . . . . . . . . . . . . . 59.0 ttm -58.32 136.92 57.48 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.254 -177.446 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 98.8 m-20 -55.52 -37.52 68.02 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.194 -179.126 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 99.6 m-20 -62.59 -35.57 79.95 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.206 176.128 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 144' ' ' HIS . . . . . . . . . . . . . 66.0 m170 -71.28 -37.69 71.86 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.197 176.428 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 145' ' ' GLN . . . . . . . . . . . . . 80.8 mt-30 -60.46 -34.73 74.43 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.249 -179.616 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 146' ' ' GLN . . . . . . . . . . . . . 88.8 mt-30 -71.64 -24.53 61.88 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.257 178.753 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 147' ' ' GLN . . . . . . . . . . . . . 99.8 mm-40 -100.52 -11.61 19.98 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.21 -179.152 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 148' ' ' ILE . . . . . . . . . . . . . 97.9 mt -113.87 -69.86 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.201 -178.43 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -64.99 -45.28 86.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.182 -173.326 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 96.5 m-20 -71.91 -36.33 69.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.217 -176.293 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 151' ' ' LYS . . . . . . . . . . . . . 47.4 mmtm -79.73 -38.13 34.0 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.188 -174.597 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 152' ' ' PHE . . . . . 0.441 ' HB3' ' HB ' ' A' ' 158' ' ' VAL . 8.1 m-30 -55.05 -47.07 75.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.202 179.55 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 153' ' ' VAL . . . . . . . . . . . . . 70.1 t -76.71 -45.39 32.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.153 -179.192 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 89.1 tt0 -54.61 -40.15 68.61 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.216 178.724 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 155' ' ' LEU . . . . . . . . . . . . . 96.0 mt -84.86 -25.15 28.21 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.25 -177.3 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . 84.99 40.78 7.88 Favored Glycine 0 CA--C 1.523 0.554 0 N-CA-C 111.222 -0.751 . . . . 0.0 111.222 169.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 157' ' ' TYR . . . . . . . . . . . . . 69.2 m-85 -119.21 -30.07 5.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.807 0.337 . . . . 0.0 111.205 178.677 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 158' ' ' VAL . . . . . 0.441 ' HB ' ' HB3' ' A' ' 152' ' ' PHE . 77.5 t -141.04 141.31 31.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.224 179.036 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 159' ' ' TRP . . . . . . . . . . . . . 72.6 t-105 -101.56 120.0 39.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.186 179.22 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 160' ' ' SER . . . . . . . . . . . . . 92.0 p -89.42 152.91 21.23 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.193 176.671 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 161' ' ' CYS . . . . . . . . . . . . . 28.7 p -155.01 175.01 14.36 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.19 177.831 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -80.61 145.49 58.72 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.251 175.602 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 163' ' ' PRO . . . . . . . . . . . . . 85.3 Cg_endo -79.49 63.97 8.79 Favored 'Trans proline' 0 N--CA 1.458 -0.599 0 C-N-CA 121.682 1.588 . . . . 0.0 111.216 -179.265 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 164' ' ' THR . . . . . . . . . . . . . 25.0 p -134.39 174.42 10.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.109 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 165' ' ' GLU . . . . . . . . . . . . . 24.5 pm0 -70.55 -10.89 60.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.199 177.02 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 166' ' ' THR . . . . . . . . . . . . . 82.5 p -103.55 -30.14 10.7 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.24 179.501 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 167' ' ' GLY . . . . . . . . . . . . . . . -75.13 -31.39 57.61 Favored Glycine 0 CA--C 1.523 0.555 0 N-CA-C 111.157 -0.777 . . . . 0.0 111.157 175.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 168' ' ' LEU . . . . . . . . . . . . . 76.3 mt -66.1 -42.79 88.77 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.843 0.354 . . . . 0.0 111.19 174.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 93.1 mt -69.99 -43.27 79.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.169 177.388 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 170' ' ' ALA . . . . . . . . . . . . . . . -61.96 -44.36 96.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.269 -179.909 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 171' ' ' GLY . . . . . . . . . . . . . . . -68.72 -39.67 85.91 Favored Glycine 0 CA--C 1.523 0.547 0 N-CA-C 111.194 -0.762 . . . . 0.0 111.194 178.433 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 65.4 tp -56.11 -48.21 76.62 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.803 0.335 . . . . 0.0 111.24 175.868 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 173' ' ' ARG . . . . . . . . . . . . . 38.7 ttm180 -65.51 -44.36 87.21 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.232 177.22 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -61.24 -38.97 88.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.175 -174.521 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 88.0 p -69.9 -22.01 63.26 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.254 -179.001 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 176' ' ' GLN . . . . . . . . . . . . . 50.1 tt0 -85.13 -36.34 21.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.174 177.355 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 177' ' ' THR . . . . . . . . . . . . . 81.3 p -87.53 -19.86 27.3 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.18 -177.471 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 178' ' ' GLU . . . . . . . . . . . . . 93.5 mt-10 -125.0 94.83 4.29 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.233 178.717 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 179' ' ' LYS . . . . . . . . . . . . . 88.6 tttt -57.73 123.61 16.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.213 179.519 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 180' ' ' LEU . . . . . . . . . . . . . 95.7 mt -88.46 145.06 25.98 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.246 179.217 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 181' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -84.26 156.8 62.89 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.206 -176.707 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 182' ' ' PRO . . . . . . . . . . . . . 59.6 Cg_endo -68.52 154.61 71.33 Favored 'Trans proline' 0 N--CA 1.459 -0.54 0 C-N-CA 121.683 1.589 . . . . 0.0 111.168 175.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 183' ' ' PHE . . . . . 0.423 ' HA ' ' HD3' ' A' ' 184' ' ' PRO . 17.9 t80 -71.02 134.43 85.52 Favored Pre-proline 0 C--N 1.328 -0.361 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.263 -173.901 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 184' ' ' PRO . . . . . 0.423 ' HD3' ' HA ' ' A' ' 183' ' ' PHE . 84.6 Cg_exo -56.13 -41.45 76.62 Favored 'Trans proline' 0 N--CA 1.458 -0.608 0 C-N-CA 121.694 1.596 . . . . 0.0 111.218 -174.738 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 185' ' ' VAL . . . . . . . . . . . . . 90.5 t -86.79 122.41 38.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.17 -168.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 186' ' ' SER . . . . . . . . . . . . . 96.2 p -101.21 -8.3 22.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.239 176.35 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 187' ' ' HIS . . . . . . . . . . . . . 96.2 m-70 -78.14 140.66 39.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.122 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 188' ' ' ASN . . . . . 0.5 ' N ' ' HD2' ' A' ' 189' ' ' PRO . 98.1 m-20 -69.85 -49.89 18.9 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.137 -171.332 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 189' ' ' PRO . . . . . 0.5 ' HD2' ' N ' ' A' ' 188' ' ' ASN . 72.3 Cg_endo -78.26 -27.91 5.08 Favored 'Trans proline' 0 N--CA 1.458 -0.594 0 C-N-CA 121.695 1.596 . . . . 0.0 111.271 -173.741 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 190' ' ' SER . . . . . . . . . . . . . 70.4 m -80.0 -31.39 39.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.204 177.255 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 191' ' ' PHE . . . . . . . . . . . . . 91.6 t80 -57.72 -51.03 71.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.225 175.697 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 192' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -68.12 -51.04 50.69 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.266 177.92 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 193' ' ' ARG . . . . . . . . . . . . . 79.1 ttt180 -44.03 -48.13 8.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.147 178.885 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 194' ' ' LEU . . . . . 0.474 ' O ' HD21 ' A' ' 194' ' ' LEU . 5.1 tt -62.61 -47.37 84.05 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.128 -178.852 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 195' ' ' LEU . . . . . . . . . . . . . 94.1 mt -95.19 7.72 45.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.145 -169.661 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 196' ' ' VAL . . . . . . . . . . . . . 76.7 t -121.52 -39.09 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.19 177.828 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 197' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -113.27 -48.03 2.98 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.231 -173.408 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 198' ' ' THR . . . . . . . . . . . . . 95.1 m -64.38 -50.09 69.05 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.278 -171.004 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 199' ' ' ILE . . . . . . . . . . . . . 47.2 pt -78.04 -11.83 13.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.187 -178.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 200' ' ' TYR . . . . . . . . . . . . . 57.3 m-85 -107.15 15.44 25.16 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.236 178.081 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 201' ' ' SER . . . . . . . . . . . . . 43.3 t . . . . . 0 C--O 1.2 -1.519 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.25 176.643 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.618 0 N-CA-C 111.178 -0.769 . . . . 0.0 111.178 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 97.0 mt -70.64 -46.83 67.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-O 120.785 0.326 . . . . 0.0 111.231 -179.77 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 43.7 pt -115.05 19.93 6.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.261 178.377 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -125.44 153.84 42.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.194 -175.294 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -73.45 129.85 38.87 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.135 178.405 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 90.3 mttt -93.95 145.5 24.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.166 -176.184 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -112.55 127.38 56.06 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.235 178.286 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 22.9 tp -103.4 136.82 42.45 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.184 179.391 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 2.0 t80 -111.87 109.61 19.5 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.237 -179.714 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 87.6 t -106.56 114.99 47.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.174 178.31 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 78.5 p -87.37 134.31 33.59 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.225 179.193 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 20.0 t -144.72 70.27 1.28 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.253 173.006 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -78.34 -175.52 45.37 Favored Glycine 0 CA--C 1.523 0.594 0 N-CA-C 111.147 -0.781 . . . . 0.0 111.147 -179.827 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -57.89 -36.68 72.75 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.817 0.342 . . . . 0.0 111.203 -175.082 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 82.7 p -91.41 5.17 50.41 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.188 -172.712 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 96.0 t -97.68 108.39 45.3 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.19 179.396 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 94.7 Cg_endo -75.31 -109.64 0.01 OUTLIER 'Trans proline' 0 N--CA 1.458 -0.609 0 C-N-CA 121.691 1.594 . . . . 0.0 111.217 175.207 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 95.4 m-85 53.41 57.98 13.73 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.21 176.37 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 38.7 Cg_endo -64.49 -18.93 64.59 Favored 'Trans proline' 0 N--CA 1.459 -0.551 0 C-N-CA 121.716 1.61 . . . . 0.0 111.168 178.447 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 74.0 mmtt -78.37 -33.11 49.13 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.231 177.315 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 70.7 mt -78.57 -26.47 45.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.219 177.32 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 55.7 t -61.28 -38.79 80.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.22 171.493 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 99.2 p -82.26 -27.55 32.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.162 178.047 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 41.8 t -66.11 -46.34 77.95 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.178 -176.497 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 16.3 m -62.54 -19.83 23.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.179 -170.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 91.5 mt -119.53 35.55 4.8 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.246 176.11 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 57.6 p -96.34 163.0 13.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.251 172.338 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 97.5 m-20 -70.02 -39.74 75.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.213 178.732 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -70.23 -42.61 72.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.228 -178.154 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 70.6 t80 -60.74 -54.73 41.64 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.157 179.022 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 96.7 m -64.94 -35.21 80.43 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.247 -174.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 65.8 tt0 -59.6 -58.33 9.05 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.173 179.597 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 90.6 mt-10 -75.04 -26.73 59.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.192 -176.017 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 46.5 tp -53.02 -50.73 63.66 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.267 172.654 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 91.5 mt -60.87 -38.25 78.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.172 176.086 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 88.8 mt-30 -67.74 -20.0 65.2 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.234 178.926 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 22.6 m-30 -84.46 -5.98 59.34 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.191 176.302 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 103.01 0.64 48.35 Favored Glycine 0 CA--C 1.523 0.567 0 N-CA-C 111.224 -0.751 . . . . 0.0 111.224 179.034 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 89.5 m-85 -100.11 99.85 10.63 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.773 0.321 . . . . 0.0 111.212 -175.167 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 31.6 m -103.88 -8.93 9.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.164 172.554 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 83.9 mtt180 -105.28 113.3 26.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.168 172.281 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.467 ' HB3' HG23 ' A' ' 93' ' ' VAL . 58.5 tp -113.5 110.23 19.93 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.237 -179.222 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 93.3 mt -98.52 122.71 50.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.168 177.295 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 65.1 mt -123.21 115.79 46.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.235 178.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . 0.52 ' HG2' ' HA ' ' A' ' 98' ' ' PHE . 51.4 tt0 -105.23 119.64 39.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.148 -178.1 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 38.9 p90 -151.1 167.32 28.08 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.205 -169.864 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -104.36 -170.75 24.86 Favored Glycine 0 CA--C 1.524 0.629 0 N-CA-C 111.223 -0.751 . . . . 0.0 111.223 -176.1 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -72.87 -30.05 63.67 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.747 0.308 . . . . 0.0 111.198 -175.613 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 99.2 m-20 -66.75 -27.7 67.81 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.228 179.716 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 93.7 m-85 -98.55 -22.01 16.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.277 -176.235 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 75.4 p -62.8 -18.98 63.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.208 174.737 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 96.0 p -64.94 -16.04 62.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.248 177.177 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 74.1 mm-40 -103.0 -45.08 5.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.155 179.021 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 59.9 m-85 -61.38 -28.6 69.36 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.238 -170.337 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 -70.02 -24.18 63.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.215 -178.085 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 99.6 m-70 -111.88 -13.94 13.59 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.205 -172.782 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 57.3 mt -65.2 -35.21 80.34 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.189 177.547 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 33.5 m -77.0 -25.23 15.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.2 176.677 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 89.4 mt-30 -72.94 -24.9 60.87 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.108 175.715 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -90.62 8.44 34.2 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.218 176.777 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 90.6 mmt-85 -129.38 -1.17 5.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.206 177.133 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 75.01 26.24 67.15 Favored Glycine 0 CA--C 1.523 0.535 0 N-CA-C 111.191 -0.764 . . . . 0.0 111.191 174.745 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -98.33 -175.71 32.93 Favored Glycine 0 CA--C 1.523 0.589 0 N-CA-C 111.224 -0.75 . . . . 0.0 111.224 -179.178 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 93.7 mm-40 -122.04 174.19 7.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.799 0.333 . . . . 0.0 111.219 -179.837 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 41.1 ptt85 -166.34 153.47 9.56 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.242 175.491 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 89.1 tt0 -162.08 140.01 8.81 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.208 -178.895 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 37.5 t -57.17 116.92 3.55 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.204 176.915 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 63.3 tp60 -131.19 116.03 17.14 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.171 -176.434 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 88.6 tttt -64.94 125.1 23.83 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.163 172.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.423 ' HA ' ' HD3' ' A' ' 71' ' ' PRO . 51.1 mm -91.18 128.3 47.95 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.193 -179.386 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . 0.423 ' HD3' ' HA ' ' A' ' 70' ' ' ILE . 77.3 Cg_exo -53.61 143.55 56.44 Favored 'Trans proline' 0 N--CA 1.457 -0.632 0 C-N-CA 121.704 1.603 . . . . 0.0 111.231 179.487 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 91.3 mt -57.19 -35.84 49.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.243 -177.013 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 98.9 m-20 -52.46 -39.39 61.06 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.221 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 64.8 mt-30 -86.45 -42.57 13.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.196 178.425 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 85.6 t80 -156.37 118.12 3.91 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.273 179.55 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -65.4 144.71 47.84 Favored Glycine 0 CA--C 1.523 0.553 0 N-CA-C 111.226 -0.749 . . . . 0.0 111.226 179.635 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 34.5 t 44.92 62.06 2.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.83 0.348 . . . . 0.0 111.284 -174.626 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -103.2 34.69 5.56 Favored Glycine 0 CA--C 1.523 0.562 0 N-CA-C 111.196 -0.762 . . . . 0.0 111.196 -179.296 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 57.2 p-10 -90.79 8.11 36.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.745 0.307 . . . . 0.0 111.185 -177.818 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 77.5 p -114.96 5.42 15.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.226 173.553 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -81.05 166.0 21.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.186 -177.083 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 32.6 ttm180 -140.06 130.81 25.85 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.201 177.182 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 62.4 tt0 -82.17 132.04 35.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.219 178.746 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . 0.495 ' HB2' ' HB ' ' A' ' 93' ' ' VAL . 88.4 m-85 -115.5 139.99 49.56 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.195 174.325 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 61.6 t -109.99 99.6 9.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.244 -172.531 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.429 HD13 ' HA ' ' A' ' 86' ' ' LEU . 2.5 mm? -117.07 159.25 22.84 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.18 -176.787 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 94.0 mmm 60.25 30.77 20.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.21 -179.25 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 96.4 m-20 65.05 31.22 11.29 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.234 -179.867 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 95.04 -3.35 66.89 Favored Glycine 0 CA--C 1.523 0.575 0 N-CA-C 111.21 -0.756 . . . . 0.0 111.21 176.182 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -75.34 -24.99 57.42 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.876 0.369 . . . . 0.0 111.222 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 52.4 tp -112.48 123.97 51.46 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.23 177.146 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -95.89 100.31 12.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.204 179.884 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . 0.495 ' HB ' ' HB2' ' A' ' 84' ' ' TYR . 60.8 t -104.9 113.42 41.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.242 -175.696 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 44.4 mm -110.0 124.18 66.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.236 -177.277 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -100.01 140.06 14.74 Favored Glycine 0 CA--C 1.523 0.557 0 N-CA-C 111.239 -0.744 . . . . 0.0 111.239 178.133 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 96.4 m-85 -123.46 149.87 44.56 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.853 0.359 . . . . 0.0 111.231 179.63 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 68.1 t0 -72.97 116.04 13.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.179 172.16 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . 0.52 ' HA ' ' HG2' ' A' ' 45' ' ' GLN . 73.6 t80 -47.92 121.43 4.17 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.161 -171.503 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 52.4 m -142.01 120.5 12.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.173 178.101 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 94.7 m -65.58 -36.57 84.14 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.234 -173.726 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -74.87 -15.91 60.7 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.145 -175.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 66.6 mtt -106.06 7.5 31.86 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.16 -174.887 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 77.7 mt-30 -64.63 -44.49 90.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.154 179.495 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 66.8 m -64.72 -29.75 70.74 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.23 -176.73 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 96.9 mt -59.98 -48.43 87.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.169 175.86 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 96.7 mt -70.24 -41.56 78.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.183 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 89.1 mtm-85 -59.46 -43.61 93.16 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.16 -178.591 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 95.9 m-20 -63.19 -41.47 99.2 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.185 178.523 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 109' ' ' TYR . . . . . . . . . . . . . 72.8 t80 -71.29 -33.74 70.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.166 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 78.9 p -73.68 172.45 11.41 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.158 -171.592 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 54.9 m-20 -113.98 -34.6 5.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.198 173.862 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 56.5 tp -132.68 119.96 21.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.148 179.42 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 88.5 t -100.86 133.29 44.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.306 -176.205 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 114' ' ' ILE . . . . . 0.425 HD11 HD11 ' A' ' 168' ' ' LEU . 64.0 mt -113.46 113.67 44.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.174 178.456 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 47.2 t -100.39 154.22 18.69 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.194 176.58 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 80.4 m80 -125.88 113.38 17.14 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.194 -173.112 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . 50.38 47.63 23.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.213 174.294 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 164.63 -166.55 38.01 Favored Glycine 0 CA--C 1.524 0.633 0 N-CA-C 111.21 -0.756 . . . . 0.0 111.21 179.198 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 40.6 p -115.39 -108.08 0.37 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.745 0.307 . . . . 0.0 111.215 176.643 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 60.64 16.22 44.05 Favored Glycine 0 CA--C 1.523 0.54 0 N-CA-C 111.201 -0.76 . . . . 0.0 111.201 -178.373 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 20.0 m -141.05 -29.82 0.64 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.736 0.303 . . . . 0.0 111.162 -169.082 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 122' ' ' ILE . . . . . . . . . . . . . 41.4 pt -75.26 -16.02 15.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.282 -172.194 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 97.8 mt -66.37 -35.35 80.12 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.22 -174.654 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 70.8 m-20 -96.48 -32.77 12.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.227 178.594 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 33.5 t -60.84 -50.52 73.09 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.148 -179.777 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 89.9 mt -65.46 -44.41 87.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.186 -173.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 51.2 ptt85 -69.08 -21.86 64.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.24 -174.289 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 94.5 mt -102.4 6.85 40.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.192 -176.757 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 77.3 m-20 64.53 35.81 9.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.216 177.846 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 89.7 mttt -106.07 141.48 22.82 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.2 -178.178 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 58.5 Cg_endo -68.14 152.78 76.0 Favored 'Trans proline' 0 N--CA 1.458 -0.606 0 C-N-CA 121.695 1.597 . . . . 0.0 111.215 175.497 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 132' ' ' LEU . . . . . 0.451 ' O ' ' HA ' ' A' ' 158' ' ' VAL . 5.2 tt -140.35 129.75 23.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.173 179.578 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 96.6 mt -95.93 141.69 14.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.24 174.782 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 97.7 t -118.94 119.99 62.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.143 174.464 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 135' ' ' CYS . . . . . . . . . . . . . 89.6 m -89.82 134.07 34.39 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.102 174.506 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 66.0 t -105.55 134.93 45.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.142 -175.25 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 47.7 p30 -81.17 -175.0 5.2 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.203 -172.825 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 56.4 p-10 -102.4 18.62 20.64 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.258 -176.492 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 67.1 m -107.61 -34.97 6.85 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.236 -179.746 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 40.4 tp -61.13 134.82 57.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.199 174.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 141' ' ' MET . . . . . . . . . . . . . 59.8 ttm -55.82 136.41 51.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.204 179.851 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 98.9 m-20 -52.97 -39.69 63.16 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.151 -176.185 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 99.2 m-20 -65.05 -35.53 81.45 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.145 176.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 144' ' ' HIS . . . . . . . . . . . . . 66.6 m170 -74.63 -27.42 60.44 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.144 179.568 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 145' ' ' GLN . . . . . . . . . . . . . 82.2 mt-30 -64.54 -43.17 94.81 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.166 177.521 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 146' ' ' GLN . . . . . . . . . . . . . 73.2 tp60 -70.27 -34.26 72.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.188 174.802 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 147' ' ' GLN . . . . . . . . . . . . . 72.1 tp60 -60.41 -43.82 96.35 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.232 -179.465 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 148' ' ' ILE . . . . . . . . . . . . . 42.4 pt -80.06 -24.2 11.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.173 -179.788 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -68.91 -35.54 76.95 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.196 175.291 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 97.2 m-20 -66.07 -32.25 73.6 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.197 177.404 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 151' ' ' LYS . . . . . . . . . . . . . 69.0 mmtt -81.1 -30.32 34.67 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.25 179.657 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 152' ' ' PHE . . . . . . . . . . . . . 19.0 m-30 -63.24 -42.33 99.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.247 171.736 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 153' ' ' VAL . . . . . . . . . . . . . 62.5 t -69.5 -40.54 79.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.15 176.329 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 40.8 tt0 -52.9 -43.54 66.27 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.234 176.429 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 155' ' ' LEU . . . . . . . . . . . . . 56.7 tp -65.97 -52.17 51.99 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.19 174.018 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . 96.32 -5.15 65.1 Favored Glycine 0 CA--C 1.523 0.577 0 N-CA-C 111.143 -0.783 . . . . 0.0 111.143 174.53 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 157' ' ' TYR . . . . . . . . . . . . . 42.1 m-85 -112.12 -1.68 15.22 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.876 0.37 . . . . 0.0 111.235 -178.081 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 158' ' ' VAL . . . . . 0.451 ' HA ' ' O ' ' A' ' 132' ' ' LEU . 73.4 t -130.57 140.97 47.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.158 -179.661 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 159' ' ' TRP . . . . . . . . . . . . . 15.9 m-90 -129.36 140.39 51.39 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.256 -179.614 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 160' ' ' SER . . . . . . . . . . . . . 30.2 t -87.95 131.33 34.65 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.18 179.806 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 161' ' ' CYS . . . . . 0.401 ' SG ' ' HA3' ' A' ' 171' ' ' GLY . 91.1 m -115.49 145.09 42.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.225 173.372 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -78.97 156.16 77.19 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.131 175.662 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 163' ' ' PRO . . . . . . . . . . . . . 88.4 Cg_endo -78.91 61.3 8.07 Favored 'Trans proline' 0 N--CA 1.459 -0.559 0 C-N-CA 121.685 1.59 . . . . 0.0 111.223 -179.584 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 164' ' ' THR . . . . . . . . . . . . . 12.8 p -133.29 -179.87 5.78 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.223 179.841 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 165' ' ' GLU . . . . . . . . . . . . . 99.8 mt-10 -81.24 4.93 18.63 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.215 176.912 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 166' ' ' THR . . . . . . . . . . . . . 82.7 p -127.8 -24.57 3.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.173 -174.724 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 167' ' ' GLY . . . . . . . . . . . . . . . -58.68 -45.8 94.25 Favored Glycine 0 CA--C 1.523 0.581 0 N-CA-C 111.175 -0.77 . . . . 0.0 111.175 -174.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 168' ' ' LEU . . . . . 0.425 HD11 HD11 ' A' ' 114' ' ' ILE . 39.4 tp -68.48 -36.66 79.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.772 0.32 . . . . 0.0 111.109 -176.601 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 97.1 mt -59.42 -43.11 89.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.208 179.217 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 170' ' ' ALA . . . . . . . . . . . . . . . -64.93 -37.99 89.49 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.145 176.784 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 171' ' ' GLY . . . . . 0.401 ' HA3' ' SG ' ' A' ' 161' ' ' CYS . . . -64.97 -38.84 95.97 Favored Glycine 0 CA--C 1.523 0.571 0 N-CA-C 111.229 -0.748 . . . . 0.0 111.229 177.603 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 82.5 mt -64.18 -40.56 96.36 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.841 0.353 . . . . 0.0 111.227 178.004 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 173' ' ' ARG . . . . . . . . . . . . . 29.6 ttm180 -65.02 -41.11 95.6 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.179 175.241 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -64.98 -37.92 89.26 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.241 -177.607 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 59.5 p -65.05 -27.17 68.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.216 -177.495 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 176' ' ' GLN . . . . . . . . . . . . . 90.9 mm-40 -98.67 -26.25 14.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.213 -177.04 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 177' ' ' THR . . . . . . . . . . . . . 90.1 m -72.58 -39.96 66.99 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.194 178.42 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 178' ' ' GLU . . . . . . . . . . . . . 71.1 tt0 -85.55 109.16 18.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.188 -175.26 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 179' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -62.65 130.34 44.55 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.19 177.686 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 180' ' ' LEU . . . . . . . . . . . . . 58.4 mt -108.65 155.2 20.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.13 -175.635 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 181' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -113.19 156.63 42.72 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.233 170.415 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 182' ' ' PRO . . . . . . . . . . . . . 76.3 Cg_exo -52.48 134.87 53.77 Favored 'Trans proline' 0 N--CA 1.458 -0.602 0 C-N-CA 121.63 1.553 . . . . 0.0 111.207 178.705 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 183' ' ' PHE . . . . . 0.692 ' HD1' ' N ' ' A' ' 183' ' ' PHE . 0.5 OUTLIER -70.09 124.92 91.65 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.157 -173.612 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 184' ' ' PRO . . . . . . . . . . . . . 73.8 Cg_exo -49.97 119.7 5.17 Favored 'Trans proline' 0 N--CA 1.458 -0.592 0 C-N-CA 121.733 1.622 . . . . 0.0 111.168 175.4 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 185' ' ' VAL . . . . . . . . . . . . . 74.9 t -66.2 -37.63 80.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.164 -174.466 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 186' ' ' SER . . . . . . . . . . . . . 96.2 p -68.65 -15.77 63.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.188 -178.514 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 187' ' ' HIS . . . . . . . . . . . . . 96.1 m-70 -115.95 26.36 10.04 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.239 -178.766 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 188' ' ' ASN . . . . . 0.466 ' N ' ' HD2' ' A' ' 189' ' ' PRO . 95.4 m-20 -61.59 -50.97 80.06 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.181 170.645 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 189' ' ' PRO . . . . . 0.466 ' HD2' ' N ' ' A' ' 188' ' ' ASN . 93.7 Cg_endo -76.26 -20.3 14.56 Favored 'Trans proline' 0 N--CA 1.457 -0.639 0 C-N-CA 121.656 1.571 . . . . 0.0 111.238 179.51 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 190' ' ' SER . . . . . . . . . . . . . 71.9 m -68.12 -41.93 80.99 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.159 172.313 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 191' ' ' PHE . . . . . . . . . . . . . 16.6 m-30 -67.79 -37.86 82.6 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.178 176.777 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 192' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -63.07 -49.33 74.93 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.191 177.843 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 193' ' ' ARG . . . . . . . . . . . . . 80.4 ttt180 -60.98 -41.91 97.37 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.242 178.07 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 194' ' ' LEU . . . . . . . . . . . . . 62.7 tp -56.23 -54.9 39.81 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.205 177.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 195' ' ' LEU . . . . . . . . . . . . . 90.9 mt -72.13 -30.56 65.17 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.196 -170.165 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 196' ' ' VAL . . . . . . . . . . . . . 52.7 t -69.91 -49.66 54.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.198 176.168 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 197' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -66.22 -30.4 70.84 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.211 179.411 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 198' ' ' THR . . . . . . . . . . . . . 59.0 m -78.57 -53.58 7.05 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.181 -179.147 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 199' ' ' ILE . . . . . . . . . . . . . 84.6 mt -66.43 -37.24 79.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.179 -176.325 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 200' ' ' TYR . . . . . . . . . . . . . 85.7 m-85 -101.46 26.89 6.76 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.25 179.428 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 201' ' ' SER . . . . . . . . . . . . . 42.2 t . . . . . 0 C--O 1.199 -1.558 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.227 178.558 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.584 0 N-CA-C 111.179 -0.768 . . . . 0.0 111.179 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 97.0 mt -70.08 -47.09 70.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-O 120.78 0.324 . . . . 0.0 111.179 179.483 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 45.4 pt -115.05 13.39 8.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.221 176.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 73.6 mm-40 -119.96 175.24 6.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.175 -178.049 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -86.01 126.42 34.14 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.242 179.708 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 96.3 mttt -87.49 151.44 23.02 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.216 173.221 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -107.86 130.73 54.98 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.167 -175.099 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 21.5 tp -113.64 109.58 18.83 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.243 176.341 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 60.5 t80 -94.34 117.25 29.83 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.216 -176.732 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 59.5 t -115.04 118.36 58.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.186 -179.771 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 52.1 m -99.14 115.03 28.11 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.215 175.784 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 74.0 m -87.45 129.56 35.01 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.227 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -113.8 -167.05 16.22 Favored Glycine 0 CA--C 1.523 0.591 0 N-CA-C 111.218 -0.753 . . . . 0.0 111.218 -177.495 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -78.83 -22.45 46.14 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.779 0.323 . . . . 0.0 111.174 179.036 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 8.9 t -85.05 175.01 9.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.184 179.019 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 64.9 t 52.64 114.97 0.01 OUTLIER Pre-proline 0 C--N 1.329 -0.287 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.257 -167.525 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.407 ' O ' ' N ' ' A' ' 21' ' ' LEU . 76.9 Cg_exo -53.15 143.31 52.05 Favored 'Trans proline' 0 N--CA 1.459 -0.535 0 C-N-CA 121.697 1.598 . . . . 0.0 111.148 -177.672 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . 0.543 ' N ' ' HD2' ' A' ' 19' ' ' PRO . 10.5 m-30 -55.05 -48.52 95.86 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.228 -171.779 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . 0.543 ' HD2' ' N ' ' A' ' 18' ' ' PHE . 72.9 Cg_endo -74.34 -13.55 23.0 Favored 'Trans proline' 0 N--CA 1.459 -0.501 0 C-N-CA 121.685 1.59 . . . . 0.0 111.118 -177.953 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -102.87 0.3 32.31 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.239 172.142 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.464 HD21 ' C ' ' A' ' 21' ' ' LEU . 7.1 tt -95.16 -50.01 5.25 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.152 178.924 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 76.4 t -80.25 -34.33 14.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.194 -174.077 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 93.3 p -65.06 -19.76 66.15 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.279 -175.242 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 99.4 m -65.12 -42.65 93.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.208 179.35 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 33.0 m -95.67 -15.06 7.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.239 -174.511 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 2.6 mp -100.04 16.85 22.65 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.192 173.296 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 83.9 p -79.53 165.0 23.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.137 171.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 46.4 m-20 -80.38 -34.25 36.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.184 177.03 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -72.27 -38.6 68.78 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.144 -177.432 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 56.4 t80 -65.02 -51.27 62.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.239 176.447 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 95.5 m -68.13 -29.81 68.8 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.17 -176.42 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 65.2 tt0 -52.57 -58.15 7.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.18 178.558 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 92.8 mt-10 -75.41 -33.11 60.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.18 -179.541 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 31.9 tp -52.69 -49.74 64.71 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.173 178.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 43.6 mm -65.94 -39.16 83.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.121 178.83 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 87.3 mt-30 -68.2 -20.87 64.88 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.181 178.662 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 19.4 m-30 -87.63 -8.42 56.23 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.163 177.699 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 98.28 8.85 54.61 Favored Glycine 0 CA--C 1.523 0.582 0 N-CA-C 111.17 -0.772 . . . . 0.0 111.17 172.743 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 74.4 m-85 -90.03 123.7 34.14 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.829 0.347 . . . . 0.0 111.172 -177.404 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 78.7 t -125.25 -36.24 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.213 -177.745 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 98.4 mtt180 -90.05 88.35 7.25 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.206 -173.389 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.401 HD21 HG23 ' A' ' 93' ' ' VAL . 54.5 tp -82.31 109.95 17.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.19 178.194 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 73.8 mt -109.15 111.29 35.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.188 -171.502 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 43.8 mm -104.42 114.98 45.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.154 -169.366 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 51.1 tt0 -96.94 126.08 41.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.204 172.017 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . 0.464 ' HB2' ' CD1' ' A' ' 50' ' ' TYR . 53.5 p90 -151.17 169.9 20.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.206 178.889 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -94.09 -59.24 1.18 Allowed Glycine 0 CA--C 1.524 0.642 0 N-CA-C 111.248 -0.741 . . . . 0.0 111.248 177.622 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 51.4 ptt85 -170.65 151.7 3.62 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.834 0.35 . . . . 0.0 111.14 179.451 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 52.2 t30 64.95 38.72 6.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.293 178.725 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . 0.464 ' CD1' ' HB2' ' A' ' 46' ' ' PHE . 93.3 m-85 -120.31 -43.63 2.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.202 171.469 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 91.0 p -66.63 -15.12 63.24 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.198 174.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 94.4 p -67.98 -29.84 68.96 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.283 171.321 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 77.3 mm-40 -79.94 -33.22 39.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.197 177.664 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 44.9 m-85 -61.85 -43.28 99.16 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.191 172.6 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 39.7 tt0 -57.0 -48.47 78.38 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.146 176.625 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 82.0 t60 -57.13 -50.38 72.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.224 -178.475 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 93.7 mt -74.15 -39.11 63.49 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.127 -171.037 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 66.8 t -69.91 -39.85 78.08 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.232 179.679 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 73.1 tp60 -65.04 -36.99 86.12 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.19 172.834 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -63.52 -38.0 89.44 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.208 175.246 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 83.4 mtt-85 -71.01 -30.1 66.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.144 175.36 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 88.46 31.08 14.21 Favored Glycine 0 CA--C 1.523 0.54 0 N-CA-C 111.189 -0.764 . . . . 0.0 111.189 178.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -89.56 -165.07 40.65 Favored Glycine 0 CA--C 1.523 0.545 0 N-CA-C 111.174 -0.77 . . . . 0.0 111.174 179.466 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 97.0 mm-40 -103.89 157.61 16.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.791 0.329 . . . . 0.0 111.207 177.642 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 52.0 ptt85 -166.34 154.96 10.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.125 -173.87 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -154.45 131.05 10.64 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.198 176.159 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 33.3 t -79.51 139.89 37.43 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.149 176.904 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 88.9 mm-40 -117.94 147.88 42.72 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.228 -176.429 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 95.8 mttt -124.34 90.01 3.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.228 168.813 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.439 ' HA ' ' HD3' ' A' ' 71' ' ' PRO . 79.5 mt -104.57 132.65 20.73 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.153 -163.713 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . 0.439 ' HD3' ' HA ' ' A' ' 70' ' ' ILE . 74.9 Cg_exo -54.95 130.02 38.45 Favored 'Trans proline' 0 N--CA 1.458 -0.605 0 C-N-CA 121.701 1.601 . . . . 0.0 111.169 179.556 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 97.0 mt -74.12 -39.47 50.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.19 176.067 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 98.3 m-20 -67.04 -26.37 66.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.164 -176.156 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 98.2 mm-40 -98.2 -44.86 6.42 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.166 -174.401 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 90.7 m-85 -115.96 -41.72 3.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.175 -173.894 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 113.05 -13.7 23.99 Favored Glycine 0 CA--C 1.524 0.605 0 N-CA-C 111.195 -0.762 . . . . 0.0 111.195 173.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 86.8 m -75.87 161.44 28.98 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.784 0.326 . . . . 0.0 111.198 177.223 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -100.5 -155.25 27.5 Favored Glycine 0 CA--C 1.522 0.53 0 N-CA-C 111.232 -0.747 . . . . 0.0 111.232 -175.762 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 57.7 p-10 -104.71 5.02 33.1 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.852 0.358 . . . . 0.0 111.207 176.727 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 72.1 p -98.27 -5.64 32.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.153 172.294 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -55.81 133.93 51.43 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.237 175.85 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -139.92 144.98 37.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.252 177.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 84.9 mt-30 -113.28 142.82 45.38 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.222 179.391 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . 0.446 ' HB2' ' HB ' ' A' ' 93' ' ' VAL . 53.5 m-85 -137.42 150.08 47.37 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.158 -176.007 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 74.9 t -118.71 115.11 47.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.149 -179.231 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 93.3 mt -126.92 167.62 15.61 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.204 -175.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 98.2 mmm 59.96 30.48 19.98 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.265 178.323 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 96.4 m-20 64.95 33.88 9.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.189 178.142 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 95.9 -3.92 65.25 Favored Glycine 0 CA--C 1.523 0.565 0 N-CA-C 111.245 -0.742 . . . . 0.0 111.245 176.241 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -79.3 -23.76 43.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.814 0.34 . . . . 0.0 111.229 -179.055 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 68.7 tp -115.0 120.05 38.57 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.218 177.064 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 94.1 mttt -106.64 115.1 29.62 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.267 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . 0.446 ' HB ' ' HB2' ' A' ' 84' ' ' TYR . 50.5 t -109.38 120.8 61.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.162 -172.87 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 80.9 mt -128.39 118.69 48.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.177 176.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -101.71 158.9 18.48 Favored Glycine 0 CA--C 1.523 0.59 0 N-CA-C 111.178 -0.769 . . . . 0.0 111.178 176.14 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 48.9 p90 -154.78 158.34 39.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.818 0.342 . . . . 0.0 111.194 176.619 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 67.7 t0 -82.92 121.24 26.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.218 172.097 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 26.8 p90 -50.09 146.76 4.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.131 -174.083 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 59.5 p -155.03 -177.48 6.57 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.227 179.618 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 75.7 p -95.34 4.83 53.01 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.185 172.856 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 76.0 mmtt -105.93 -24.79 12.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.255 -178.882 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 91.5 mmm -80.07 -8.94 59.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.193 178.232 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 99.1 mm-40 -57.62 -36.82 72.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.192 -173.867 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 45.5 t -67.96 -50.04 58.18 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.213 178.649 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 94.6 mt -59.89 -39.72 80.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.23 -179.866 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 94.9 mt -60.3 -47.38 92.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.193 178.455 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -74.58 -30.03 61.55 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.288 -178.142 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -74.0 -35.04 64.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.179 -178.866 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 109' ' ' TYR . . . . . . . . . . . . . 89.2 m-85 -125.08 80.09 1.85 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.148 -176.278 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 41.2 t -155.31 118.25 4.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.207 176.744 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 60.5 m-20 -110.86 -33.56 6.49 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.223 177.342 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 68.3 tp -128.92 132.02 47.62 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.171 171.487 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 96.0 t -113.62 119.5 61.08 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.189 -176.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 114' ' ' ILE . . . . . 0.414 ' HA ' ' O ' ' A' ' 133' ' ' ILE . 97.2 mt -107.58 130.05 60.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.147 169.729 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 43.0 t -123.4 133.91 54.03 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.217 179.908 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 99.6 m-70 -100.96 81.95 2.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.161 169.771 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . 57.38 50.63 11.08 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.237 -176.243 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -95.5 -178.9 36.78 Favored Glycine 0 CA--C 1.524 0.644 0 N-CA-C 111.224 -0.75 . . . . 0.0 111.224 172.263 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 45.7 m -124.96 -59.44 1.42 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.864 0.364 . . . . 0.0 111.19 176.323 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -64.89 -32.64 84.88 Favored Glycine 0 CA--C 1.524 0.601 0 N-CA-C 111.22 -0.752 . . . . 0.0 111.22 -176.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 75.0 m -66.52 -41.26 89.05 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.903 0.382 . . . . 0.0 111.255 177.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 122' ' ' ILE . . . . . . . . . . . . . 63.8 mt -61.05 -44.97 99.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.163 175.231 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 92.3 mt -70.4 -49.3 50.41 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.224 -174.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 87.3 m-20 -71.95 -31.51 66.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.146 -172.466 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 47.2 t -53.49 -45.3 69.61 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.233 173.321 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 96.2 mt -74.72 -32.14 62.05 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.215 179.794 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 51.4 mtp180 -63.26 -31.33 72.45 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.135 175.459 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 95.7 mt -88.35 -5.0 58.57 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.22 178.808 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 56.5 t30 63.28 41.6 7.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.157 -176.218 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 37.9 mmtm -114.39 146.54 36.07 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.233 179.756 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 61.4 Cg_exo -55.02 141.39 79.17 Favored 'Trans proline' 0 N--CA 1.458 -0.607 0 C-N-CA 121.757 1.638 . . . . 0.0 111.174 179.688 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 63.3 tp -121.32 115.19 22.49 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.15 -174.821 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 133' ' ' ILE . . . . . 0.414 ' O ' ' HA ' ' A' ' 114' ' ' ILE . 70.5 mt -107.1 126.83 63.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.2 173.405 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 77.6 t -120.44 121.91 66.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.215 179.552 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 135' ' ' CYS . . . . . . . . . . . . . 53.9 t -121.76 113.97 20.44 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.14 -178.22 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 28.3 m -135.05 158.39 41.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.141 -169.583 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 58.1 t-20 -111.49 117.98 34.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.257 171.853 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 97.5 m-20 -55.49 -35.25 65.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.199 -173.133 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 86.7 p -80.93 -15.77 55.37 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.201 -172.056 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 96.1 mt -99.26 -12.87 19.99 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.223 178.613 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 141' ' ' MET . . . . . . . . . . . . . 74.8 mtm -88.57 154.9 19.96 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.198 172.852 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 43.0 p30 -88.5 -179.66 6.11 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.203 174.798 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 98.8 m-20 -60.1 -32.46 71.0 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.149 -173.446 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 144' ' ' HIS . . . . . . . . . . . . . 17.8 t-160 -69.25 -55.07 11.63 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.163 -177.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 145' ' ' GLN . . . . . . . . . . . . . 97.7 mm-40 -72.88 -26.03 61.3 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.194 -171.409 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 146' ' ' GLN . . . . . . . . . . . . . 73.5 mt-30 -61.61 -51.58 67.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.224 173.134 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 147' ' ' GLN . . . . . . . . . . . . . 88.5 mt-30 -65.0 -35.08 80.04 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.174 -179.521 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 148' ' ' ILE . . . . . . . . . . . . . 88.4 mt -62.68 -49.95 81.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.173 177.321 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -62.89 -38.63 91.67 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.162 -178.103 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 98.9 m-20 -63.06 -49.11 75.83 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.178 179.822 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 151' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -71.99 -31.75 66.56 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.212 -178.758 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 152' ' ' PHE . . . . . . . . . . . . . 1.3 t80 -61.68 -50.34 72.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.232 -178.55 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 153' ' ' VAL . . . . . . . . . . . . . 8.3 p -75.67 -25.07 17.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.173 178.898 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -63.41 -39.41 94.41 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.258 175.659 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 155' ' ' LEU . . . . . . . . . . . . . 97.6 mt -74.07 -19.57 60.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.179 179.788 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . 83.76 34.07 19.89 Favored Glycine 0 CA--C 1.523 0.531 0 N-CA-C 111.237 -0.745 . . . . 0.0 111.237 173.48 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 157' ' ' TYR . . . . . . . . . . . . . 34.3 m-85 -113.05 18.66 17.86 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.859 0.361 . . . . 0.0 111.267 179.419 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 158' ' ' VAL . . . . . . . . . . . . . 11.6 p -162.02 150.52 4.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.199 -178.146 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 159' ' ' TRP . . . . . . . . . . . . . 19.2 m-90 -96.53 111.85 23.81 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.202 168.93 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 160' ' ' SER . . . . . . . . . . . . . 32.1 t -90.84 130.45 36.79 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.17 -177.421 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 161' ' ' CYS . . . . . . . . . . . . . 89.3 m -118.8 151.4 38.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.147 -178.664 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -72.75 154.95 91.16 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.249 175.79 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 163' ' ' PRO . . . . . . . . . . . . . 88.1 Cg_endo -76.33 64.64 7.2 Favored 'Trans proline' 0 N--CA 1.458 -0.588 0 C-N-CA 121.717 1.611 . . . . 0.0 111.186 179.296 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 164' ' ' THR . . . . . . . . . . . . . 12.5 t -159.97 -179.81 8.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.231 -179.307 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 165' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -64.98 -49.96 68.21 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.161 -171.928 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 166' ' ' THR . . . . . . . . . . . . . 81.2 p -80.89 -17.14 51.6 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.118 -172.143 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 167' ' ' GLY . . . . . . . . . . . . . . . -64.93 -49.58 62.23 Favored Glycine 0 CA--C 1.523 0.576 0 N-CA-C 111.216 -0.754 . . . . 0.0 111.216 179.512 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 168' ' ' LEU . . . . . . . . . . . . . 31.4 tp -70.33 -34.4 72.63 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.87 0.367 . . . . 0.0 111.2 179.417 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 96.8 mt -61.25 -42.14 92.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.186 177.647 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 170' ' ' ALA . . . . . . . . . . . . . . . -60.79 -38.87 86.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.211 175.836 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 171' ' ' GLY . . . . . . . . . . . . . . . -64.77 -41.38 97.62 Favored Glycine 0 CA--C 1.523 0.57 0 N-CA-C 111.244 -0.742 . . . . 0.0 111.244 177.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 59.1 tp -54.94 -48.97 72.45 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.882 0.372 . . . . 0.0 111.229 177.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 173' ' ' ARG . . . . . . . . . . . . . 39.9 ttm180 -65.51 -40.85 93.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.203 176.686 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -65.01 -33.18 75.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.205 -173.643 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 53.2 p -64.96 -21.11 66.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.266 -179.723 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 176' ' ' GLN . . . . . . . . . . . . . 93.7 mm-40 -102.82 -33.45 9.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.206 -177.671 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 177' ' ' THR . . . . . . . . . . . . . 99.0 m -74.56 -43.99 53.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.192 -178.333 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 178' ' ' GLU . . . . . . . . . . . . . 73.4 mm-40 -117.04 175.87 5.39 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.169 -173.289 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 179' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -129.79 166.49 19.8 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.16 177.845 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 180' ' ' LEU . . . . . . . . . . . . . 89.7 mt -90.29 161.57 15.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.213 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 181' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -74.73 156.69 86.48 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.224 179.296 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 182' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -68.49 144.9 62.82 Favored 'Trans proline' 0 N--CA 1.459 -0.55 0 C-N-CA 121.628 1.552 . . . . 0.0 111.213 179.081 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 183' ' ' PHE . . . . . . . . . . . . . 87.7 m-85 -93.56 149.85 37.88 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.23 -174.742 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 184' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_endo -72.45 -14.79 27.95 Favored 'Trans proline' 0 N--CA 1.459 -0.533 0 C-N-CA 121.63 1.553 . . . . 0.0 111.117 177.613 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 185' ' ' VAL . . . . . . . . . . . . . 85.2 t -111.25 126.15 68.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.245 -177.503 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 186' ' ' SER . . . . . . . . . . . . . 88.0 p -92.49 -14.24 28.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.213 -178.046 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 187' ' ' HIS . . . . . . . . . . . . . 99.0 m-70 -75.04 86.6 2.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.237 -179.468 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 188' ' ' ASN . . . . . 0.47 ' N ' ' CD ' ' A' ' 189' ' ' PRO . 99.1 m-20 -57.04 -47.15 99.57 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.227 -168.232 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 189' ' ' PRO . . . . . 0.47 ' CD ' ' N ' ' A' ' 188' ' ' ASN . 95.3 Cg_endo -85.78 1.45 8.05 Favored 'Trans proline' 0 N--CA 1.457 -0.629 0 C-N-CA 121.739 1.626 . . . . 0.0 111.213 -170.613 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 190' ' ' SER . . . . . . . . . . . . . 67.3 m -111.2 14.2 21.76 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.204 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 191' ' ' PHE . . . . . . . . . . . . . 14.5 m-30 -61.56 -30.23 70.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.151 178.802 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 192' ' ' GLU . . . . . . . . . . . . . 24.2 pt-20 -70.28 -10.0 57.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.211 -176.02 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 193' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -120.02 -20.53 7.43 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.164 178.769 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 194' ' ' LEU . . . . . . . . . . . . . 95.4 mt -103.63 -56.37 2.22 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.236 -174.879 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 195' ' ' LEU . . . . . . . . . . . . . 30.0 mt -79.93 -20.81 44.79 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.218 -176.565 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 196' ' ' VAL . . . . . . . . . . . . . 6.4 p -59.17 -27.0 35.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.218 170.213 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 197' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -98.02 -40.78 8.28 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.238 177.924 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 198' ' ' THR . . . . . . . . . . . . . 89.0 m -70.49 -44.5 67.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.195 -176.716 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 199' ' ' ILE . . . . . . . . . . . . . 97.7 mt -105.05 -59.41 3.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.193 -173.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 200' ' ' TYR . . . . . . . . . . . . . 72.6 t80 -63.88 -62.01 1.92 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.219 -168.559 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 201' ' ' SER . . . . . . . . . . . . . 42.8 t . . . . . 0 C--O 1.2 -1.535 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.139 177.614 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.56 0 N-CA-C 111.226 -0.749 . . . . 0.0 111.226 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 46.7 pt -127.52 -6.96 4.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.79 0.329 . . . . 0.0 111.217 174.38 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 49.1 pt -110.2 -8.63 11.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.223 171.047 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -122.13 26.03 8.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.171 173.269 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 7.4 tp10 -166.34 153.97 9.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.206 -176.917 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 46.4 mtmt -56.31 112.04 1.13 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.179 -179.751 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -138.4 149.44 45.53 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.227 179.121 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.401 HD22 HD21 ' A' ' 112' ' ' LEU . 30.9 mt -90.65 141.15 29.08 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.195 177.108 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 75.6 m-85 -129.98 118.02 20.96 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.175 167.124 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.413 HG23 ' HB ' ' A' ' 114' ' ' ILE . 89.7 t -103.11 134.19 44.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.216 -176.88 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 92.7 m -116.58 114.47 24.16 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.207 173.604 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 52.7 t -93.18 124.71 37.35 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.26 172.21 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -75.63 171.61 54.22 Favored Glycine 0 CA--C 1.522 0.525 0 N-CA-C 111.23 -0.748 . . . . 0.0 111.23 177.536 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -68.95 -34.92 76.14 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.784 0.326 . . . . 0.0 111.194 -177.052 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 76.2 p -94.82 -9.32 34.78 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.155 -179.102 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 96.2 t -72.54 128.78 88.05 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.247 -179.587 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 48.1 Cg_endo -66.57 106.36 1.06 Allowed 'Trans proline' 0 N--CA 1.457 -0.661 0 C-N-CA 121.692 1.595 . . . . 0.0 111.218 178.537 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . 0.561 ' N ' ' CD ' ' A' ' 19' ' ' PRO . 80.3 t80 -72.01 -41.62 8.98 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.225 -179.436 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . 0.561 ' CD ' ' N ' ' A' ' 18' ' ' PHE . 80.8 Cg_exo -54.08 -31.76 66.21 Favored 'Trans proline' 0 N--CA 1.458 -0.586 0 C-N-CA 121.69 1.594 . . . . 0.0 111.21 -178.802 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 96.7 mttt -88.77 -37.96 15.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.135 177.317 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 68.9 tp -64.07 -58.37 6.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.233 -176.423 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 9.9 p -62.65 -26.07 39.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.154 -173.57 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 58.6 m -64.76 -50.0 68.54 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.199 175.933 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 97.0 m -64.97 -37.0 86.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.237 177.659 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 56.6 t -64.18 -39.17 84.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.204 179.209 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 82.7 mt -107.33 31.84 5.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.219 -177.577 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 55.7 m -70.58 148.87 47.68 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.242 173.309 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 90.4 m-20 -65.27 -48.36 73.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.203 -176.173 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -68.51 -34.98 76.84 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.177 179.684 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 79.3 t80 -58.26 -52.96 63.39 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.224 175.451 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 85.0 m -70.1 -28.0 65.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.234 -176.733 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 65.8 tt0 -60.95 -60.05 4.41 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.186 178.478 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -67.5 -33.24 74.68 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.182 177.793 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 45.0 tp -54.98 -49.92 70.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.155 178.615 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 87.0 mt -61.31 -37.62 78.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.135 178.433 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 88.8 mt-30 -67.47 -20.88 65.53 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.268 -0.423 . . . . 0.0 111.2 177.331 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 22.4 m-30 -88.78 -4.56 58.47 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.162 179.216 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 98.9 10.9 48.17 Favored Glycine 0 CA--C 1.523 0.59 0 N-CA-C 111.153 -0.779 . . . . 0.0 111.153 174.6 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 75.8 m-85 -104.09 105.59 15.81 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.768 0.318 . . . . 0.0 111.183 177.653 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 34.3 m -119.5 -0.91 8.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.211 -177.692 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 70.9 mtt85 -125.33 139.97 53.22 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.162 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 23.6 tp -143.82 135.91 26.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.163 -176.103 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.5 HG12 ' HB ' ' A' ' 94' ' ' ILE . 46.4 mt -122.07 129.39 75.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.197 166.857 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 81.0 mt -109.4 122.44 64.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.164 -177.253 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 61.3 tt0 -92.45 119.95 32.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.275 178.664 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 48.3 p90 -149.98 164.96 34.11 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.154 -175.005 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -94.96 -166.72 35.88 Favored Glycine 0 CA--C 1.524 0.622 0 N-CA-C 111.216 -0.754 . . . . 0.0 111.216 -175.028 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -76.61 -38.34 54.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.763 0.316 . . . . 0.0 111.217 -177.348 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 99.3 m-20 -74.2 -36.67 64.0 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.167 176.894 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 15.9 m-30 -85.71 60.32 6.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.177 -178.384 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 88.4 p -134.89 -7.54 2.39 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.218 -177.152 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 69.9 m -65.46 -58.95 4.58 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.196 -176.515 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 66.9 mm-40 -75.45 -16.66 60.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.216 -176.234 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 70.4 t80 -55.88 -52.39 64.24 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.183 179.195 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 56.7 mt-10 -87.01 -23.22 25.08 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.245 -175.907 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 62.5 m170 -60.2 -43.71 95.7 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.232 179.701 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 94.2 mt -65.49 -29.65 70.33 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.23 -178.882 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 75.3 t -73.25 -37.67 52.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.209 177.563 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 88.2 mt-30 -66.16 -31.5 72.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.109 176.882 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -64.23 -31.64 72.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.213 176.832 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 74.5 mmt-85 -96.66 -17.13 20.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.188 -175.902 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 87.21 33.89 11.35 Favored Glycine 0 CA--C 1.523 0.587 0 N-CA-C 111.23 -0.748 . . . . 0.0 111.23 176.554 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -75.87 175.77 51.73 Favored Glycine 0 CA--C 1.523 0.565 0 N-CA-C 111.267 -0.733 . . . . 0.0 111.267 177.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 62.4 tp60 -130.1 113.78 14.94 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.873 0.368 . . . . 0.0 111.114 -176.906 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 53.0 ttp180 -61.05 113.15 2.39 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.115 172.196 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 93.8 mt-10 -127.43 118.68 24.53 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.218 176.554 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 39.6 t -73.01 131.12 41.74 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.154 175.363 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 89.8 mm-40 -129.64 137.86 50.89 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.228 -174.78 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 96.9 mttt -95.15 75.52 3.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.174 173.594 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.404 HG23 ' HD2' ' A' ' 71' ' ' PRO . 87.6 mt -87.64 135.91 33.53 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.198 -169.677 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . 0.404 ' HD2' HG23 ' A' ' 70' ' ' ILE . 71.1 Cg_endo -72.42 142.07 36.27 Favored 'Trans proline' 0 N--CA 1.458 -0.58 0 C-N-CA 121.69 1.593 . . . . 0.0 111.23 177.536 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 96.6 mt -82.33 -45.4 19.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.199 177.373 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 99.8 m-20 -63.8 -36.59 84.41 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.157 -175.061 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 99.5 mm-40 -88.48 -66.57 0.9 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.217 -178.249 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 63.0 t80 -77.25 -54.69 6.18 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.21 -174.609 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 123.7 17.61 3.12 Favored Glycine 0 CA--C 1.524 0.627 0 N-CA-C 111.205 -0.758 . . . . 0.0 111.205 176.343 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' CYS . . . . . 0.451 ' HA ' ' SD ' ' A' ' 102' ' ' MET . 42.0 t -136.79 152.14 49.96 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.789 0.328 . . . . 0.0 111.228 -178.328 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -74.0 174.67 48.88 Favored Glycine 0 CA--C 1.523 0.571 0 N-CA-C 111.236 -0.745 . . . . 0.0 111.236 -176.006 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 57.6 p-10 -94.44 15.91 16.57 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.78 0.324 . . . . 0.0 111.17 -173.619 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 40.1 p -113.56 38.33 2.95 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.225 174.472 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -85.85 137.96 32.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.237 -169.261 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 84.2 mtt85 -109.99 99.66 8.73 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.192 169.239 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 62.7 tt0 -85.43 135.21 33.96 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.257 -175.118 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 84.8 m-85 -124.19 145.42 49.34 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.177 178.166 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 88.8 t -102.83 111.72 33.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.249 -171.737 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 93.9 mt -123.8 161.89 24.33 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.149 177.407 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 92.1 mmm 59.93 30.51 20.02 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.235 178.217 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 96.4 m-20 65.09 34.33 8.81 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.215 178.562 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 95.02 -2.92 66.54 Favored Glycine 0 CA--C 1.523 0.589 0 N-CA-C 111.209 -0.756 . . . . 0.0 111.209 175.424 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -82.5 -20.26 37.12 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.726 0.298 . . . . 0.0 111.219 -178.646 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 61.1 tp -120.4 123.54 43.31 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.208 176.083 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -110.38 105.65 14.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.16 -178.405 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 74.0 t -108.41 126.29 65.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.194 -174.73 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . 0.5 ' HB ' HG12 ' A' ' 43' ' ' ILE . 98.7 mt -113.48 131.98 63.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.222 178.686 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -76.21 127.31 8.73 Favored Glycine 0 CA--C 1.523 0.565 0 N-CA-C 111.22 -0.752 . . . . 0.0 111.22 175.18 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 54.5 t80 -64.74 120.78 13.09 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.861 0.362 . . . . 0.0 111.227 -178.732 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 36.7 t0 -145.06 43.58 1.33 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.242 171.043 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 43.3 m-85 -120.01 -179.89 4.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.213 -164.132 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 65.1 p -94.61 -170.05 2.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.146 -177.401 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 16.6 m -62.45 -22.18 66.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.251 -179.439 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -56.88 -32.03 65.44 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.25 177.906 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' MET . . . . . 0.459 ' SD ' HD13 ' A' ' 105' ' ' ILE . 92.5 mmm -88.99 -27.13 21.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.138 177.013 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 92.3 mt-30 -63.59 -33.35 75.41 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.165 176.31 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 41.1 t -65.87 -43.06 89.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.229 170.256 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . 0.459 HD13 ' SD ' ' A' ' 102' ' ' MET . 64.0 mt -65.26 -35.95 76.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.169 -177.926 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 71.6 mt -55.44 -31.69 28.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.213 178.389 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 80.0 mtm180 -109.86 -33.07 6.84 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.137 -170.361 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 67.3 m-20 -102.19 -50.55 3.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.17 -169.635 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 109' ' ' TYR . . . . . . . . . . . . . 93.2 m-85 -95.49 -5.14 43.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.13 -172.674 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 87.5 p -66.05 164.84 14.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.258 170.614 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 34.3 t70 -107.74 -38.55 5.83 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.181 172.713 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . 0.401 HD21 HD22 ' A' ' 8' ' ' LEU . 60.5 tp -138.01 116.01 11.64 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.241 179.878 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 85.2 t -94.2 136.63 25.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.227 -176.645 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 114' ' ' ILE . . . . . 0.413 ' HB ' HG23 ' A' ' 10' ' ' VAL . 90.0 mt -123.19 131.56 73.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.194 176.396 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 22.7 t -162.55 162.44 27.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.198 176.013 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 63.1 t-80 -85.61 146.03 27.06 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.217 176.318 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . 0.433 ' HA ' HD11 ' A' ' 122' ' ' ILE . . . -54.29 132.86 44.56 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.193 177.087 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 107.18 15.27 16.44 Favored Glycine 0 CA--C 1.523 0.591 0 N-CA-C 111.198 -0.761 . . . . 0.0 111.198 172.483 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 48.2 p -106.59 172.55 6.75 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.757 0.313 . . . . 0.0 111.217 174.738 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -85.7 -30.81 22.96 Favored Glycine 0 CA--C 1.523 0.575 0 N-CA-C 111.251 -0.74 . . . . 0.0 111.251 174.096 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 42.7 t -64.74 -38.97 92.81 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.803 0.335 . . . . 0.0 111.14 178.65 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 122' ' ' ILE . . . . . 0.49 HG13 HD11 ' A' ' 132' ' ' LEU . 13.7 tt -69.78 -19.98 23.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.205 -178.805 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 90.7 mt -93.0 -24.75 18.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.161 -179.782 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 87.2 m-20 -64.38 -37.83 88.88 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.151 175.926 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 74.6 m -62.3 -32.59 73.35 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.27 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 81.2 mt -64.3 -49.77 70.49 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.218 178.521 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 46.1 ptt85 -75.1 -20.0 59.67 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.196 -176.554 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 95.9 mt -93.61 -9.31 38.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.199 179.199 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 91.9 m-20 63.46 38.47 9.89 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.253 -179.48 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 12.9 mmmm -101.01 140.78 21.58 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.215 -179.373 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 71.3 Cg_exo -49.83 131.41 29.37 Favored 'Trans proline' 0 N--CA 1.459 -0.535 0 C-N-CA 121.67 1.58 . . . . 0.0 111.157 176.459 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 132' ' ' LEU . . . . . 0.49 HD11 HG13 ' A' ' 122' ' ' ILE . 58.8 tp -140.33 126.99 20.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.188 -168.02 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 89.6 mt -99.29 116.82 43.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.19 167.682 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 93.6 t -92.17 99.05 9.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.245 -177.615 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 135' ' ' CYS . . . . . . . . . . . . . 51.8 t -77.92 138.2 38.75 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.198 -178.514 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 33.3 m -124.23 154.98 31.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.193 178.692 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 46.4 p30 -83.77 -174.86 5.53 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.26 178.595 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 72.7 m-20 -86.75 -9.97 54.68 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.21 -172.19 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 78.9 p -81.89 -10.29 59.34 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.212 -177.016 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 57.4 tp -72.25 128.78 36.71 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.151 179.477 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 141' ' ' MET . . . . . . . . . . . . . 57.7 ttm -65.21 140.05 58.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.213 173.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 99.7 m-20 -59.23 -40.53 86.17 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.234 179.724 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 99.3 m-20 -64.96 -37.73 88.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.235 178.056 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 144' ' ' HIS . . . . . . . . . . . . . 65.1 m170 -69.94 -32.87 71.35 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.193 177.696 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 145' ' ' GLN . . . . . 0.402 ' HG3' ' HD3' ' A' ' 163' ' ' PRO . 19.0 tm0? -64.43 -38.55 91.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.197 176.268 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 146' ' ' GLN . . . . . . . . . . . . . 73.4 tp60 -65.01 -43.44 92.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.247 175.927 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 147' ' ' GLN . . . . . . . . . . . . . 87.9 mt-30 -63.14 -34.97 78.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.23 178.467 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 148' ' ' ILE . . . . . . . . . . . . . 89.6 mt -64.86 -46.33 92.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.271 172.924 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -67.76 -25.07 65.44 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.184 179.305 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 94.4 m-20 -70.49 -14.98 62.75 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.151 179.467 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 151' ' ' LYS . . . . . . . . . . . . . 75.4 mmtt -102.82 -34.03 9.14 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.167 176.07 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 152' ' ' PHE . . . . . . . . . . . . . 16.0 m-30 -74.49 -28.18 60.89 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.141 179.694 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 153' ' ' VAL . . . . . . . . . . . . . 9.9 p -58.45 -24.74 25.85 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.189 178.209 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -81.29 -27.82 34.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.182 178.048 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 155' ' ' LEU . . . . . . . . . . . . . 96.3 mt -68.7 -38.99 80.69 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.144 -176.45 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . 95.03 -45.26 2.11 Favored Glycine 0 CA--C 1.524 0.611 0 N-CA-C 111.147 -0.781 . . . . 0.0 111.147 171.165 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 157' ' ' TYR . . . . . . . . . . . . . 51.8 p90 -108.61 -3.87 17.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.816 0.341 . . . . 0.0 111.178 -177.448 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 158' ' ' VAL . . . . . 0.414 HG23 ' HB3' ' A' ' 132' ' ' LEU . 60.5 t -108.77 125.46 65.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.183 173.771 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 159' ' ' TRP . . . . . . . . . . . . . 89.7 m95 -137.79 142.42 40.86 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.246 -178.867 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 160' ' ' SER . . . . . . . . . . . . . 13.3 t -97.7 149.64 22.06 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.152 -171.495 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 161' ' ' CYS . . . . . 0.481 ' SG ' ' HA ' ' A' ' 168' ' ' LEU . 71.6 m -87.75 162.82 16.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.175 172.149 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -91.49 154.8 44.36 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.187 173.026 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 163' ' ' PRO . . . . . 0.402 ' HD3' ' HG3' ' A' ' 145' ' ' GLN . 97.2 Cg_endo -74.98 67.31 5.94 Favored 'Trans proline' 0 N--CA 1.459 -0.551 0 C-N-CA 121.716 1.611 . . . . 0.0 111.214 178.701 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 164' ' ' THR . . . . . . . . . . . . . 14.1 t -157.95 -178.19 7.12 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.183 -177.309 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 165' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -70.12 -33.48 71.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.222 -173.085 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 166' ' ' THR . . . . . . . . . . . . . 70.3 p -101.84 21.15 15.06 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.214 -179.73 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 167' ' ' GLY . . . . . . . . . . . . . . . -62.6 -48.39 81.99 Favored Glycine 0 CA--C 1.524 0.61 0 N-CA-C 111.208 -0.757 . . . . 0.0 111.208 -178.142 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 168' ' ' LEU . . . . . 0.481 ' HA ' ' SG ' ' A' ' 161' ' ' CYS . 23.2 tp -65.03 -32.94 74.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.84 0.352 . . . . 0.0 111.226 179.815 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 97.3 mt -64.02 -41.4 92.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.265 175.578 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 170' ' ' ALA . . . . . . . . . . . . . . . -65.01 -39.43 93.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.197 176.712 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 171' ' ' GLY . . . . . . . . . . . . . . . -62.86 -45.68 95.19 Favored Glycine 0 CA--C 1.523 0.557 0 N-CA-C 111.167 -0.773 . . . . 0.0 111.167 177.856 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 57.7 tp -59.12 -56.56 20.61 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.81 0.338 . . . . 0.0 111.172 176.212 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 173' ' ' ARG . . . . . . . . . . . . . 38.1 ttm180 -53.88 -45.02 70.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.234 -179.331 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -59.3 -45.45 91.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.231 -177.307 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 68.9 p -73.26 -25.31 60.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.207 -176.145 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 176' ' ' GLN . . . . . . . . . . . . . 89.5 mm-40 -102.68 -6.26 22.89 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.181 -175.062 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 177' ' ' THR . . . . . . . . . . . . . 63.8 m -97.87 -48.76 5.06 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.173 174.577 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 178' ' ' GLU . . . . . . . . . . . . . 73.6 mm-40 -79.97 145.39 32.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.169 -179.561 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 179' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -64.89 129.95 41.64 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.262 -178.363 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 180' ' ' LEU . . . . . . . . . . . . . 85.7 mt -75.29 132.6 41.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.156 176.582 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 181' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -135.32 140.67 35.12 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.2 -178.071 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 182' ' ' PRO . . . . . . . . . . . . . 57.1 Cg_endo -70.38 127.64 14.37 Favored 'Trans proline' 0 N--CA 1.458 -0.576 0 C-N-CA 121.724 1.616 . . . . 0.0 111.203 179.627 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 183' ' ' PHE . . . . . . . . . . . . . 29.5 t80 -87.33 134.65 35.88 Favored Pre-proline 0 C--N 1.327 -0.371 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.217 177.384 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 184' ' ' PRO . . . . . . . . . . . . . 92.3 Cg_exo -52.2 -42.21 61.06 Favored 'Trans proline' 0 C--N 1.328 -0.545 0 C-N-CA 121.711 1.608 . . . . 0.0 111.095 -174.105 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 185' ' ' VAL . . . . . . . . . . . . . 84.6 t -76.76 118.58 23.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.165 -177.499 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 186' ' ' SER . . . . . . . . . . . . . 50.0 m -122.18 24.12 9.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.159 178.658 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 187' ' ' HIS . . . . . . . . . . . . . 92.5 m-70 -120.37 125.13 47.23 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.186 -171.551 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 188' ' ' ASN . . . . . 0.555 ' N ' ' CD ' ' A' ' 189' ' ' PRO . 39.2 t30 -62.05 -41.52 76.36 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.181 178.502 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 189' ' ' PRO . . . . . 0.555 ' CD ' ' N ' ' A' ' 188' ' ' ASN . 61.4 Cg_exo -55.0 -34.18 85.97 Favored 'Trans proline' 0 N--CA 1.458 -0.601 0 C-N-CA 121.685 1.59 . . . . 0.0 111.219 176.302 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 190' ' ' SER . . . . . . . . . . . . . 73.7 m -78.44 -32.07 48.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.18 179.222 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 191' ' ' PHE . . . . . 0.471 ' HA ' ' HB3' ' A' ' 194' ' ' LEU . 41.3 m-85 -74.08 -22.56 59.46 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.256 175.011 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 192' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -52.13 -39.88 60.54 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.199 -176.053 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 193' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -104.37 -22.16 13.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.214 -177.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 194' ' ' LEU . . . . . 0.471 ' HB3' ' HA ' ' A' ' 191' ' ' PHE . 59.2 tp -72.31 -60.04 2.43 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.255 -178.002 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 195' ' ' LEU . . . . . . . . . . . . . 85.5 mt -112.83 -35.31 5.5 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.213 -171.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 196' ' ' VAL . . . . . 0.416 ' HA ' ' HB2' ' A' ' 200' ' ' TYR . 66.0 t -68.25 -40.69 83.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.216 -170.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 197' ' ' GLU . . . . . . . . . . . . . 94.9 mt-10 -99.45 9.43 43.29 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.117 -178.49 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 198' ' ' THR . . . . . . . . . . . . . 91.2 m -115.16 -47.59 2.85 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.194 178.821 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 199' ' ' ILE . . . . . . . . . . . . . 96.7 mt -114.51 -37.6 2.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.263 -172.755 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 200' ' ' TYR . . . . . 0.416 ' HB2' ' HA ' ' A' ' 196' ' ' VAL . 80.9 m-85 -96.93 19.04 13.36 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.155 -178.6 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 201' ' ' SER . . . . . . . . . . . . . 40.5 t . . . . . 0 C--O 1.201 -1.471 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.191 179.576 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.534 0 N-CA-C 111.182 -0.767 . . . . 0.0 111.182 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 98.0 mt -103.89 -53.39 7.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.852 0.358 . . . . 0.0 111.199 179.656 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 90.9 mt -77.93 108.61 11.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.209 174.818 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 94.9 mt-10 -110.0 -0.07 18.28 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.158 -172.749 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -119.56 150.64 39.94 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.224 -176.857 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 85.5 mttt -74.24 157.25 36.2 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.214 175.57 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -164.82 173.8 11.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.193 -171.613 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.456 HD13 ' C ' ' A' ' 8' ' ' LEU . 3.1 tm? -95.89 121.05 37.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.23 172.707 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 85.1 t80 -84.47 125.34 32.29 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.223 -177.469 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.44 ' HB ' HG12 ' A' ' 44' ' ' ILE . 91.5 t -117.85 135.75 57.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.205 174.77 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 93.5 m -95.02 118.36 31.71 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.19 176.574 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 71.7 m -131.81 59.86 1.69 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.211 165.565 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -74.35 170.16 53.67 Favored Glycine 0 CA--C 1.522 0.512 0 N-CA-C 111.205 -0.758 . . . . 0.0 111.205 -175.693 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -73.68 -33.98 64.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.819 0.343 . . . . 0.0 111.24 -172.304 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 99.0 m -73.41 -50.09 23.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.181 -171.206 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.41 ' HA ' ' HD3' ' A' ' 17' ' ' PRO . 95.5 t -78.82 130.45 70.37 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.211 -173.847 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.41 ' HD3' ' HA ' ' A' ' 16' ' ' VAL . 53.0 Cg_exo -57.31 130.89 41.65 Favored 'Trans proline' 0 N--CA 1.457 -0.635 0 C-N-CA 121.68 1.587 . . . . 0.0 111.2 176.468 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 88.8 m-85 -133.98 69.85 74.74 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.226 168.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 36.2 Cg_endo -67.25 -61.5 0.08 OUTLIER 'Trans proline' 0 N--CA 1.458 -0.592 0 C-N-CA 121.736 1.624 . . . . 0.0 111.219 -177.358 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -117.67 4.64 12.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.202 178.878 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 95.9 mt -71.69 -23.8 61.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.21 -175.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 71.5 t -74.41 -40.33 49.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.22 175.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 85.0 p -68.38 -25.14 64.92 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.173 -179.332 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 98.7 m -71.83 -40.1 69.32 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.222 173.503 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 55.5 t -64.46 -37.38 79.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.235 174.495 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 97.4 mt -104.86 34.85 2.99 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.2 -176.651 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 55.4 p -75.88 159.47 30.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.208 173.398 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 97.9 m-20 -63.1 -40.03 96.43 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.172 178.765 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -73.39 -40.28 64.45 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.172 -176.071 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 59.8 t80 -61.85 -52.84 62.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.218 179.39 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 98.8 m -66.16 -36.28 82.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.202 -178.439 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 66.2 tt0 -56.22 -46.02 79.67 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.219 179.69 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 91.0 mt-10 -88.94 -22.38 23.11 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.181 -177.373 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 47.2 tp -53.78 -44.81 70.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.255 179.621 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 45.0 pt -74.21 -13.28 15.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.192 -179.776 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 67.6 mt-30 -94.93 -5.27 45.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.225 179.438 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 40.8 m-85 -105.06 10.83 33.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.217 172.935 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 86.86 27.23 29.56 Favored Glycine 0 CA--C 1.524 0.64 0 N-CA-C 111.114 -0.794 . . . . 0.0 111.114 174.68 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 81.8 m-85 -122.38 74.79 1.2 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.893 0.377 . . . . 0.0 111.206 176.167 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 33.1 m -83.48 -10.09 11.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.152 177.474 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 61.4 ttm-85 -112.19 120.74 42.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.168 172.481 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 63.4 tp -113.2 119.88 39.3 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.133 179.473 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.49 HG23 ' CD1' ' A' ' 96' ' ' PHE . 69.8 mt -114.32 114.88 47.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.228 -175.758 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.44 HG12 ' HB ' ' A' ' 10' ' ' VAL . 62.2 mt -114.64 113.51 43.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.24 -175.42 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 20.0 tm0? -81.62 117.46 22.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.217 178.311 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 70.1 m-85 -104.36 137.76 41.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.247 -178.629 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -83.43 -168.79 43.96 Favored Glycine 0 CA--C 1.523 0.586 0 N-CA-C 111.195 -0.762 . . . . 0.0 111.195 173.833 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 84.2 mtp180 -80.36 -19.83 45.52 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.776 0.322 . . . . 0.0 111.154 -177.605 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 92.8 m-20 -85.27 -13.93 48.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.206 -178.315 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 77.7 m-85 -124.39 104.06 8.55 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.198 -174.551 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 91.5 p -78.74 159.72 27.79 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.223 177.51 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 46.6 t -101.34 90.95 4.28 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.158 178.674 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 61.2 mm-40 -123.65 71.04 1.07 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.204 -177.444 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 82.3 m-85 -118.77 26.4 9.58 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.187 -174.319 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 25.1 pt-20 -73.76 -13.07 60.89 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.141 176.088 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 99.0 m-70 -89.53 -25.3 21.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.174 173.056 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 64.2 tp -60.83 -47.3 86.98 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.246 171.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 19.2 m -75.16 -25.0 17.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.143 179.354 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 66.0 tt0 -63.07 -40.07 96.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.301 178.435 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -73.08 -27.07 61.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.161 179.014 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 80.4 mmt-85 -95.58 -13.81 24.09 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.137 -171.78 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 89.03 22.22 39.32 Favored Glycine 0 CA--C 1.523 0.584 0 N-CA-C 111.166 -0.773 . . . . 0.0 111.166 177.836 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -95.76 -162.9 33.78 Favored Glycine 0 CA--C 1.523 0.589 0 N-CA-C 111.202 -0.759 . . . . 0.0 111.202 -179.569 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . 0.435 ' H ' ' HB ' ' A' ' 85' ' ' VAL . 10.3 mm-40 -129.97 159.95 35.12 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.772 0.32 . . . . 0.0 111.276 -177.119 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 7.0 tmm_? -119.38 120.66 37.53 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.251 175.697 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 -126.24 155.74 41.39 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.26 -177.653 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 88.6 p -87.88 159.39 18.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.193 -179.66 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 65.5 mm-40 -140.03 90.01 2.35 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.195 174.185 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -77.24 80.63 3.75 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.182 -178.618 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 50.0 mm -65.68 123.34 84.42 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.223 -176.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 80.0 Cg_exo -48.8 120.87 5.8 Favored 'Trans proline' 0 N--CA 1.458 -0.612 0 C-N-CA 121.77 1.647 . . . . 0.0 111.188 178.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 96.6 mt -76.8 -37.08 27.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.24 -176.169 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 99.7 m-20 -66.25 -23.0 66.34 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.175 -173.314 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 99.7 mm-40 -82.27 -50.17 9.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.204 -173.451 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 7.9 m-30 -99.98 -40.02 7.86 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.199 -177.494 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 101.52 -0.13 53.18 Favored Glycine 0 CA--C 1.523 0.558 0 N-CA-C 111.154 -0.778 . . . . 0.0 111.154 -174.235 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 29.0 p -88.26 -179.55 6.16 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.736 0.303 . . . . 0.0 111.212 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -80.15 163.41 47.09 Favored Glycine 0 CA--C 1.525 0.66 0 N-CA-C 111.182 -0.767 . . . . 0.0 111.182 -177.707 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 51.2 p-10 -108.49 30.34 6.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.853 0.358 . . . . 0.0 111.236 179.062 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 60.1 p -103.46 19.3 19.99 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.23 -173.801 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -65.35 145.83 55.68 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.194 -179.044 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -132.38 119.76 21.12 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.184 -172.081 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 62.2 tt0 -87.88 137.95 31.88 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.125 -177.653 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 84.8 m-85 -128.89 118.83 23.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.252 178.319 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . 0.435 ' HB ' ' H ' ' A' ' 64' ' ' GLN . 84.7 t -88.44 117.7 32.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.205 -177.943 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 96.4 mt -124.88 168.67 12.94 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.286 179.095 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 82.1 mmm 61.42 30.45 18.93 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.125 175.377 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 96.3 m-20 64.95 33.25 10.0 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.228 176.862 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 97.7 -3.98 61.26 Favored Glycine 0 CA--C 1.523 0.539 0 N-CA-C 111.269 -0.732 . . . . 0.0 111.269 175.339 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -79.99 -23.92 41.23 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.811 0.338 . . . . 0.0 111.203 -178.404 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 60.0 tp -121.52 126.67 49.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.202 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -109.67 102.43 11.25 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.222 175.829 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 59.9 t -101.3 108.65 23.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.162 -178.477 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 73.8 mt -115.33 123.77 71.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.169 -178.174 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -86.9 132.13 10.98 Favored Glycine 0 CA--C 1.523 0.564 0 N-CA-C 111.202 -0.759 . . . . 0.0 111.202 171.108 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' PHE . . . . . 0.49 ' CD1' HG23 ' A' ' 43' ' ' ILE . 59.9 m-85 -114.6 151.66 33.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.79 0.329 . . . . 0.0 111.228 -174.175 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 53.1 t0 -102.04 69.72 1.18 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.178 -179.605 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 88.1 m-85 -103.66 157.45 17.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.201 172.597 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 52.4 p -78.53 178.3 7.88 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.194 172.001 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 74.3 p -74.55 -10.1 59.22 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.154 178.205 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -105.49 -7.01 18.94 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.181 179.745 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 66.6 mtt -103.11 6.55 38.59 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.167 -179.473 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 95.4 mt-30 -60.12 -32.95 71.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.18 178.003 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 73.3 m -57.79 -32.96 68.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.256 -178.169 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 94.1 mt -54.42 -52.87 35.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.249 178.445 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 96.9 mt -67.66 -43.9 86.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.206 179.771 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 88.4 mtm-85 -57.66 -37.16 72.91 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.11 -173.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 95.1 m-20 -62.12 -27.49 68.97 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.159 -178.889 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 109' ' ' TYR . . . . . . . . . . . . . 56.1 m-85 -95.28 -26.93 15.73 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.229 -178.146 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 65.3 p -67.88 162.54 23.94 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.256 -178.726 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 18.6 t70 -111.79 -9.94 14.06 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.232 178.892 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 63.0 tp -153.35 140.04 18.93 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.216 -179.79 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 91.4 t -112.33 121.65 65.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.224 -177.06 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 114' ' ' ILE . . . . . 0.409 HG12 ' HB ' ' A' ' 133' ' ' ILE . 62.1 mt -120.19 111.19 31.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.16 171.45 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 70.6 m -123.33 166.91 14.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.201 178.087 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 89.5 m-70 -110.49 84.58 1.95 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.127 178.571 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . 55.34 53.4 9.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.272 -173.456 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -83.84 -176.97 51.45 Favored Glycine 0 CA--C 1.523 0.541 0 N-CA-C 111.218 -0.753 . . . . 0.0 111.218 -179.763 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 38.4 p -125.05 -69.93 0.77 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.817 0.341 . . . . 0.0 111.139 -179.058 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -62.63 -30.69 77.48 Favored Glycine 0 CA--C 1.524 0.644 0 N-CA-C 111.185 -0.766 . . . . 0.0 111.185 -177.008 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 86.6 p -68.25 -25.86 65.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.857 0.36 . . . . 0.0 111.191 -179.068 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 122' ' ' ILE . . . . . 0.431 HG12 HD22 ' A' ' 132' ' ' LEU . 96.7 mt -62.06 -45.53 98.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.17 174.23 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 59.8 tp -66.06 -49.09 68.84 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.21 -177.484 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 72.5 m-20 -65.85 -35.87 81.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.272 -172.114 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 21.7 t -64.02 -51.98 61.64 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.167 178.132 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 93.9 mt -65.95 -26.89 67.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.179 173.899 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 69.1 ttp85 -69.07 -39.81 78.86 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.234 177.144 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 92.1 mt -87.75 -1.96 58.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.203 -176.474 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 89.9 m-20 67.16 35.05 4.68 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.235 -178.217 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 130' ' ' LYS . . . . . 0.434 ' HA ' ' HD3' ' A' ' 131' ' ' PRO . 74.6 mmtt -114.73 148.69 40.94 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.221 179.482 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 131' ' ' PRO . . . . . 0.434 ' HD3' ' HA ' ' A' ' 130' ' ' LYS . 57.5 Cg_exo -55.04 135.2 67.72 Favored 'Trans proline' 0 N--CA 1.456 -0.688 0 C-N-CA 121.703 1.602 . . . . 0.0 111.204 179.932 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 132' ' ' LEU . . . . . 0.431 HD22 HG12 ' A' ' 122' ' ' ILE . 61.1 tp -108.08 119.65 40.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.173 178.371 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 133' ' ' ILE . . . . . 0.409 ' HB ' HG12 ' A' ' 114' ' ' ILE . 87.5 mt -105.53 122.22 58.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.218 174.541 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 97.6 t -123.19 122.67 65.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.219 -178.642 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 135' ' ' CYS . . . . . . . . . . . . . 46.7 t -99.46 126.78 45.45 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.179 176.606 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 89.0 t -69.31 110.05 2.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.19 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 44.2 p30 -87.37 -172.39 3.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.201 -177.848 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 99.1 m-20 -85.86 -7.74 58.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.233 -172.601 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 74.1 p -84.55 -14.18 49.66 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.211 -175.917 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 95.3 mt -88.51 149.98 23.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.201 176.037 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 141' ' ' MET . . . . . . . . . . . . . 98.8 mtp -83.71 169.72 14.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.162 175.2 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -60.54 -38.55 84.85 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.188 175.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 99.3 m-20 -67.4 -35.97 80.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.223 176.488 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 144' ' ' HIS . . . . . . . . . . . . . 56.6 m170 -63.27 -46.72 85.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.162 175.78 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 145' ' ' GLN . . . . . . . . . . . . . 64.6 tt0 -56.63 -48.3 77.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.218 177.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 146' ' ' GLN . . . . . . . . . . . . . 73.6 tp60 -61.06 -51.61 68.44 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.179 -176.781 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 147' ' ' GLN . . . . . . . . . . . . . 90.2 mt-30 -68.97 -45.48 70.54 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.236 -175.174 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 148' ' ' ILE . . . . . . . . . . . . . 78.9 mt -65.09 -43.32 95.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.139 -177.143 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -65.08 -42.03 94.47 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.159 179.531 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 92.6 m-20 -65.04 -32.21 73.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.19 179.754 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 151' ' ' LYS . . . . . 0.407 ' HD3' ' HA ' ' A' ' 151' ' ' LYS . 67.5 mmtt -79.2 -31.09 43.68 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.219 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 152' ' ' PHE . . . . . . . . . . . . . 15.3 m-30 -61.43 -40.49 94.63 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.159 170.565 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 153' ' ' VAL . . . . . . . . . . . . . 67.6 t -68.4 -45.01 83.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.248 176.26 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 88.1 tt0 -58.47 -42.62 87.87 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.206 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 155' ' ' LEU . . . . . . . . . . . . . 50.6 tp -70.75 -53.41 15.64 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.219 178.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . 90.03 6.92 68.72 Favored Glycine 0 CA--C 1.524 0.604 0 N-CA-C 111.18 -0.768 . . . . 0.0 111.18 172.539 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 157' ' ' TYR . . . . . . . . . . . . . 92.9 m-85 -113.84 0.75 14.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.801 0.334 . . . . 0.0 111.194 178.094 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 158' ' ' VAL . . . . . . . . . . . . . 40.7 t -129.61 134.32 63.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.218 -178.464 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 159' ' ' TRP . . . . . . . . . . . . . 85.8 m95 -98.59 140.42 32.84 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.236 -178.164 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 160' ' ' SER . . . . . . . . . . . . . 42.6 t -105.89 115.92 31.06 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.193 179.581 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 161' ' ' CYS . . . . . . . . . . . . . 74.8 m -114.76 152.72 31.6 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.207 -178.132 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -83.93 156.28 64.16 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.23 173.43 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 163' ' ' PRO . . . . . . . . . . . . . 90.6 Cg_endo -77.16 64.18 7.81 Favored 'Trans proline' 0 N--CA 1.458 -0.576 0 C-N-CA 121.697 1.598 . . . . 0.0 111.233 -179.636 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 164' ' ' THR . . . . . . . . . . . . . 15.9 p -135.52 177.86 7.49 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.197 175.695 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 165' ' ' GLU . . . . . . . . . . . . . 25.2 pt-20 -76.71 -4.74 44.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.187 176.402 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 166' ' ' THR . . . . . . . . . . . . . 82.4 p -112.9 -26.69 8.41 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.162 -175.474 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 167' ' ' GLY . . . . . . . . . . . . . . . -63.9 -40.26 98.15 Favored Glycine 0 CA--C 1.523 0.568 0 N-CA-C 111.18 -0.768 . . . . 0.0 111.18 175.917 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 168' ' ' LEU . . . . . . . . . . . . . 96.0 mt -65.76 -35.53 80.97 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.793 0.33 . . . . 0.0 111.217 177.844 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 97.1 mt -67.78 -42.14 85.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.196 177.678 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 170' ' ' ALA . . . . . . . . . . . . . . . -60.84 -45.73 93.36 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.23 179.207 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 171' ' ' GLY . . . . . . . . . . . . . . . -67.36 -41.76 90.76 Favored Glycine 0 CA--C 1.524 0.606 0 N-CA-C 111.157 -0.777 . . . . 0.0 111.157 177.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 63.0 tp -55.34 -46.3 76.4 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.805 0.336 . . . . 0.0 111.222 177.583 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 173' ' ' ARG . . . . . . . . . . . . . 61.7 ttt85 -68.34 -39.83 81.77 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.202 177.123 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -60.56 -36.94 79.71 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.245 -175.224 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 54.7 p -63.05 -24.42 67.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.177 179.32 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 176' ' ' GLN . . . . . . . . . . . . . 88.9 mm-40 -100.56 2.01 41.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.192 -179.382 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 177' ' ' THR . . . . . . . . . . . . . 96.8 m -95.95 -51.81 4.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.166 -177.69 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 178' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -105.59 111.53 24.26 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.188 -177.643 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 179' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -65.54 129.87 41.28 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.212 174.396 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 180' ' ' LEU . . . . . . . . . . . . . 89.7 mt -85.1 145.14 27.8 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.214 -177.564 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 181' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -103.27 160.44 26.14 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.192 -178.201 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 182' ' ' PRO . . . . . . . . . . . . . 78.3 Cg_exo -54.01 144.76 55.69 Favored 'Trans proline' 0 N--CA 1.458 -0.572 0 C-N-CA 121.656 1.571 . . . . 0.0 111.189 179.761 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 183' ' ' PHE . . . . . . . . . . . . . 79.7 m-85 -74.49 147.48 84.91 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.257 -177.923 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 184' ' ' PRO . . . . . . . . . . . . . 57.6 Cg_endo -68.24 -19.68 44.05 Favored 'Trans proline' 0 N--CA 1.459 -0.545 0 C-N-CA 121.685 1.59 . . . . 0.0 111.186 176.827 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 185' ' ' VAL . . . . . . . . . . . . . 95.6 t -108.92 120.99 61.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.206 178.893 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 186' ' ' SER . . . . . . . . . . . . . 96.1 p -71.41 -21.24 62.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.212 -174.32 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 187' ' ' HIS . . . . . . . . . . . . . 96.8 m-70 -92.63 102.13 14.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.186 179.221 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 188' ' ' ASN . . . . . 0.581 ' N ' ' CD ' ' A' ' 189' ' ' PRO . 82.9 m-20 -72.6 -39.66 6.06 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.168 176.359 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 189' ' ' PRO . . . . . 0.581 ' CD ' ' N ' ' A' ' 188' ' ' ASN . 75.9 Cg_exo -54.82 -30.27 67.03 Favored 'Trans proline' 0 N--CA 1.458 -0.577 0 C-N-CA 121.736 1.624 . . . . 0.0 111.191 178.719 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 190' ' ' SER . . . . . . . . . . . . . 74.6 m -70.45 -16.54 62.94 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.137 -177.195 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 191' ' ' PHE . . . . . . . . . . . . . 18.9 m-30 -60.16 -21.9 62.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.194 -178.852 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 192' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -43.5 -39.83 3.57 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.202 178.69 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 193' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -117.67 -19.77 9.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.181 -178.707 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 194' ' ' LEU . . . . . . . . . . . . . 4.6 mp -72.28 -57.8 3.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.247 -179.589 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 195' ' ' LEU . . . . . . . . . . . . . 85.1 mt -107.41 -47.05 3.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.153 -173.048 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 196' ' ' VAL . . . . . 0.42 HG23 HG22 ' A' ' 122' ' ' ILE . 71.5 t -56.91 -52.41 55.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.154 -167.736 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 197' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -66.72 -31.15 71.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.215 -179.603 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 198' ' ' THR . . . . . . . . . . . . . 96.7 m -71.13 -45.69 63.09 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.242 -176.769 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 199' ' ' ILE . . . . . . . . . . . . . 39.4 pt -86.92 -15.01 9.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.174 -169.904 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 200' ' ' TYR . . . . . . . . . . . . . 25.2 t80 -102.96 39.96 1.46 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.205 174.523 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 201' ' ' SER . . . . . . . . . . . . . 47.1 t . . . . . 0 C--O 1.2 -1.515 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.223 -178.14 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.561 0 N-CA-C 111.173 -0.771 . . . . 0.0 111.173 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 96.9 mt -71.87 -44.97 66.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.791 0.329 . . . . 0.0 111.214 -179.682 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 46.3 pt -115.07 8.02 7.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.088 -179.485 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -145.01 109.75 5.02 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.198 179.37 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 93.9 mt-10 -124.95 72.32 1.22 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.233 -179.833 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -80.85 150.02 29.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.14 -178.402 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . 0.489 ' HB1' ' HA ' ' A' ' 110' ' ' SER . . . -122.84 144.29 49.3 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.237 -176.408 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 92.6 mt -111.37 146.45 37.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.222 -178.634 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . 0.445 ' CD1' ' C ' ' A' ' 9' ' ' PHE . 1.0 OUTLIER -120.01 93.0 3.91 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.19 177.798 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 98.4 t -81.43 121.88 35.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.235 -176.44 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 75.5 m -125.06 116.07 21.52 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.195 169.438 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . 0.4 ' HA ' ' HB2' ' A' ' 116' ' ' HIS . 79.3 m -80.28 151.01 29.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.216 -176.601 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -94.96 -164.92 35.39 Favored Glycine 0 CA--C 1.523 0.587 0 N-CA-C 111.209 -0.757 . . . . 0.0 111.209 -179.388 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -101.47 -30.19 11.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.757 0.313 . . . . 0.0 111.209 -174.378 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 95.7 m -60.16 -50.77 72.37 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.193 -173.755 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 96.6 t -92.82 134.82 26.96 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.16 178.813 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 89.7 Cg_exo -46.81 133.31 17.46 Favored 'Trans proline' 0 N--CA 1.458 -0.581 0 C-N-CA 121.7 1.6 . . . . 0.0 111.183 179.378 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . 0.554 ' HB3' ' HD3' ' A' ' 19' ' ' PRO . 89.7 t80 -58.14 -44.72 99.52 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.132 -172.289 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . 0.554 ' HD3' ' HB3' ' A' ' 18' ' ' PHE . 76.7 Cg_exo -55.22 -37.31 94.42 Favored 'Trans proline' 0 N--CA 1.458 -0.612 0 C-N-CA 121.753 1.635 . . . . 0.0 111.226 -179.864 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -73.92 -40.55 63.04 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.202 -175.185 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 89.4 mt -64.95 -35.72 82.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.231 178.636 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 70.0 t -72.54 -40.98 63.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.206 177.092 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 48.4 t -59.86 -41.06 90.64 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.169 -178.419 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 86.8 m -62.19 -30.74 71.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.175 178.613 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 73.7 t -82.89 -30.98 8.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.17 -179.233 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 96.7 mt -87.76 2.89 50.06 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.2 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 9.7 t -56.04 140.02 44.89 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.184 175.36 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 97.0 m-20 -64.8 -39.22 93.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.18 179.412 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -72.5 -37.93 68.26 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.151 179.068 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 69.9 t80 -56.12 -48.7 75.69 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.231 173.47 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 87.4 m -67.49 -38.88 85.03 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.197 179.617 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 66.6 tt0 -55.6 -41.26 73.17 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.197 178.51 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 71.0 mm-40 -65.03 -43.11 93.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.174 179.102 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.401 HD22 HD13 ' A' ' 172' ' ' LEU . 81.7 mt -59.36 -35.72 74.4 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.23 -178.853 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 91.2 mt -59.57 -40.05 81.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.167 179.255 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 90.2 mt-30 -75.37 -34.43 61.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.215 179.236 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 13.7 m-30 -65.07 -41.16 95.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.154 -177.181 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 121.58 21.16 3.05 Favored Glycine 0 CA--C 1.524 0.639 0 N-CA-C 111.221 -0.752 . . . . 0.0 111.221 -177.597 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 92.3 m-85 -99.81 133.33 44.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.805 0.336 . . . . 0.0 111.204 176.641 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 87.5 t -121.14 -35.53 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.185 -173.65 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 81.9 mtt85 -110.22 109.95 20.61 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.213 -178.342 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 65.3 tp -110.63 101.49 10.14 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.156 -177.307 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.487 HG12 ' HB ' ' A' ' 94' ' ' ILE . 96.0 mt -101.81 134.49 42.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.14 -174.797 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 78.4 mt -121.19 130.57 74.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.223 177.851 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 66.2 tt0 -75.18 127.72 33.85 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.216 174.032 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . 0.486 ' CB ' ' HA3' ' A' ' 47' ' ' GLY . 72.6 m-85 -119.76 158.33 26.75 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.234 177.715 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . 0.486 ' HA3' ' CB ' ' A' ' 46' ' ' PHE . . . 123.12 18.4 3.13 Favored Glycine 0 CA--C 1.524 0.627 0 N-CA-C 111.247 -0.741 . . . . 0.0 111.247 5.707 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 96.9 mtt180 65.03 56.86 1.01 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.823 0.344 . . . . 0.0 111.192 173.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 76.4 m-20 52.91 44.95 29.73 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.253 174.734 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 28.0 t80 -66.83 -18.41 65.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.173 -179.209 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 31.7 m -49.7 -35.41 21.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.192 175.503 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 88.8 p -69.77 -18.29 63.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.178 -177.111 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 73.6 mm-40 -80.94 -19.9 43.19 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.252 -178.799 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 72.2 m-85 -73.73 -15.62 61.21 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.183 177.54 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 75.2 mm-40 -63.26 -18.42 63.54 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.21 173.482 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 98.4 m-70 -108.92 -34.94 6.49 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.149 178.075 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 60.7 tp -73.05 -57.72 3.83 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.211 -178.761 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 71.8 t -65.08 -38.81 83.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.141 -178.651 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 68.7 tp60 -65.1 -40.7 94.95 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.196 179.332 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 89.1 tt0 -66.67 -40.16 88.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.214 176.476 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -74.49 -22.24 59.17 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.267 -179.077 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 85.68 31.88 20.14 Favored Glycine 0 CA--C 1.524 0.616 0 N-CA-C 111.233 -0.747 . . . . 0.0 111.233 174.571 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -95.01 -166.28 35.7 Favored Glycine 0 CA--C 1.523 0.556 0 N-CA-C 111.163 -0.775 . . . . 0.0 111.163 -179.758 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 95.8 mm-40 -122.53 154.61 37.65 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.805 0.336 . . . . 0.0 111.222 176.736 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 33.5 ptt-85 -155.54 133.97 11.72 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.215 -173.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -150.93 138.81 19.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.188 -176.894 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 87.2 p -72.76 164.02 27.2 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.215 -172.277 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 64.3 tt0 -130.63 129.52 42.79 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.121 179.142 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -95.16 75.6 3.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.238 -176.131 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.451 ' HA ' ' HD3' ' A' ' 71' ' ' PRO . 95.1 mt -75.01 129.58 82.74 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.182 174.719 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . 0.451 ' HD3' ' HA ' ' A' ' 70' ' ' ILE . 87.9 Cg_exo -55.03 129.18 33.94 Favored 'Trans proline' 0 N--CA 1.458 -0.591 0 C-N-CA 121.754 1.636 . . . . 0.0 111.128 -174.873 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 96.4 mt -71.21 -38.06 68.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.238 174.279 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 99.3 m-20 -64.42 -37.38 87.31 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.229 -178.608 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 64.6 tt0 -85.68 -43.78 13.13 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.141 -174.697 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 97.5 m-85 -114.98 -44.33 3.04 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.222 -174.852 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 96.19 16.4 38.08 Favored Glycine 0 CA--C 1.522 0.504 0 N-CA-C 111.233 -0.747 . . . . 0.0 111.233 -177.701 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' CYS . . . . . 0.425 ' SG ' ' HB3' ' A' ' 81' ' ' ALA . 45.3 t -65.35 139.96 58.62 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.751 0.31 . . . . 0.0 111.221 -179.727 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -82.88 -164.73 36.1 Favored Glycine 0 CA--C 1.524 0.601 0 N-CA-C 111.156 -0.778 . . . . 0.0 111.156 -179.318 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 58.5 p-10 -95.68 11.94 31.57 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.792 0.329 . . . . 0.0 111.235 -174.352 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 81.2 p -88.48 -15.09 36.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.191 178.596 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . 0.425 ' HB3' ' SG ' ' A' ' 77' ' ' CYS . . . -55.54 111.62 0.94 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.199 178.1 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 42.8 ttt180 -148.53 140.25 23.68 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.157 178.681 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 78.5 mt-30 -96.93 144.35 26.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.174 177.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' TYR . . . . . 0.426 ' N ' ' O ' ' A' ' 93' ' ' VAL . 60.5 m-85 -129.72 92.07 3.26 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.14 -173.674 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 91.8 t -74.36 113.08 12.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.191 -175.007 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 91.0 mt -128.69 172.82 10.87 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.174 -172.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 85.2 mmm 70.01 33.13 2.84 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.218 177.479 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 96.5 m-20 64.89 35.06 8.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.18 -178.883 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 75.08 40.04 35.84 Favored Glycine 0 CA--C 1.524 0.61 0 N-CA-C 111.183 -0.767 . . . . 0.0 111.183 179.125 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -119.03 -20.0 8.25 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.826 0.346 . . . . 0.0 111.212 -178.693 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 50.0 tp -141.03 129.99 23.17 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.173 174.667 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -100.53 102.89 14.18 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.245 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . 0.426 ' O ' ' N ' ' A' ' 84' ' ' TYR . 89.2 t -89.64 124.99 42.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.225 177.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . 0.487 ' HB ' HG12 ' A' ' 43' ' ' ILE . 64.8 mt -122.47 134.92 64.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.203 -172.381 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -114.98 134.13 11.44 Favored Glycine 0 CA--C 1.524 0.625 0 N-CA-C 111.213 -0.755 . . . . 0.0 111.213 -173.308 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 70.6 m-85 -130.03 143.37 50.76 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.837 0.351 . . . . 0.0 111.197 166.904 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 60.0 t0 -94.96 82.79 3.86 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.216 169.464 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 5.6 m-30 -116.01 140.02 49.68 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.209 -166.361 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 59.6 p -76.31 -179.02 4.84 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.17 169.736 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 77.1 p -71.01 -14.3 62.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.269 178.136 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -92.86 -8.85 42.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.195 177.758 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 64.2 mtt -105.01 1.59 28.79 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.176 179.527 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 95.0 mt-30 -62.32 -31.44 72.06 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.161 179.56 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' SER . . . . . 0.455 ' HA ' ' HG2' ' A' ' 107' ' ' ARG . 39.2 m -64.94 -24.84 67.64 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.209 -178.169 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 96.4 mt -63.08 -43.75 99.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.176 176.674 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 86.3 mt -74.54 -42.05 48.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.207 -175.073 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . 0.455 ' HG2' ' HA ' ' A' ' 104' ' ' SER . 24.9 ptt180 -70.33 -10.08 57.99 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.243 -175.67 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 97.0 m-20 -73.15 -17.61 61.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.137 169.453 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 109' ' ' TYR . . . . . . . . . . . . . 72.2 m-85 -112.3 -26.68 8.64 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.259 177.534 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 110' ' ' SER . . . . . 0.489 ' HA ' ' HB1' ' A' ' 7' ' ' ALA . 75.2 m -90.54 157.5 17.5 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.201 -173.428 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 61.0 m-20 -105.01 -56.06 2.23 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.205 177.898 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 8.8 mp -105.82 109.44 21.39 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.188 -174.544 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . 0.453 HG22 ' HB2' ' A' ' 124' ' ' ASP . 9.9 p -71.47 141.74 16.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.144 173.856 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 89.8 mt -120.19 109.69 26.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.198 176.683 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 37.6 t -101.15 109.58 21.48 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.202 -178.11 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 116' ' ' HIS . . . . . 0.443 ' HA ' ' HB3' ' A' ' 135' ' ' CYS . 83.7 m-70 -82.39 143.66 31.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.171 -178.915 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . 55.05 54.5 8.84 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.179 171.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 121.53 -171.03 14.91 Favored Glycine 0 CA--C 1.523 0.564 0 N-CA-C 111.244 -0.742 . . . . 0.0 111.244 174.12 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 41.3 p -107.14 36.51 2.66 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.791 0.329 . . . . 0.0 111.14 -172.382 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -58.75 -46.95 92.7 Favored Glycine 0 CA--C 1.523 0.59 0 N-CA-C 111.213 -0.755 . . . . 0.0 111.213 -174.859 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 9.8 m -105.01 24.95 11.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.817 0.342 . . . . 0.0 111.218 -175.225 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 122' ' ' ILE . . . . . 0.424 HD12 HG22 ' A' ' 158' ' ' VAL . 16.1 tt -65.19 -20.01 26.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.155 -179.281 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 92.0 mt -96.64 -8.97 30.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.221 -172.612 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 124' ' ' ASP . . . . . 0.453 ' HB2' HG22 ' A' ' 113' ' ' VAL . 89.1 m-20 -68.34 -46.58 69.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.199 -171.773 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 63.1 m -98.74 3.11 47.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.097 -179.541 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 66.3 tp -62.67 -52.67 62.41 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.208 176.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -66.75 -24.66 66.24 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.213 178.921 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 96.5 mt -77.06 -11.67 59.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.238 179.443 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 77.5 m-20 66.6 34.91 5.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.237 -179.82 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 40.9 mmtm -113.06 155.76 43.82 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.164 -178.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_exo -54.94 138.06 77.19 Favored 'Trans proline' 0 N--CA 1.458 -0.613 0 C-N-CA 121.71 1.606 . . . . 0.0 111.233 178.578 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 132' ' ' LEU . . . . . 0.417 ' HB2' HG23 ' A' ' 158' ' ' VAL . 78.9 mt -102.82 130.69 49.9 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.163 -177.822 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 42.4 mm -108.94 118.53 56.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.219 176.392 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 76.9 t -124.9 124.95 68.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.194 179.82 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 135' ' ' CYS . . . . . 0.443 ' HB3' ' HA ' ' A' ' 116' ' ' HIS . 47.4 t -104.05 130.26 51.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.233 175.651 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 32.8 m -85.03 151.32 3.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.21 177.251 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 48.1 p30 -96.87 -168.46 1.71 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.24 -179.2 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 57.6 p-10 -103.45 12.24 35.46 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.233 -176.153 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 60.1 p -100.23 -29.95 12.17 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.203 176.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 83.2 mt -58.92 130.52 47.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.236 175.066 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 141' ' ' MET . . . . . . . . . . . . . 60.5 ttm -59.76 144.11 49.17 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.254 179.42 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 98.9 m-20 -49.87 -41.84 46.35 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.278 -176.146 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 99.1 m-20 -74.96 -30.0 61.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.273 179.271 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 144' ' ' HIS . . . . . . . . . . . . . 16.4 t-160 -71.2 -54.24 11.66 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.222 -178.789 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 145' ' ' GLN . . . . . . . . . . . . . 10.5 pt20 -66.02 -21.86 66.41 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.19 179.368 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 146' ' ' GLN . . . . . . . . . . . . . 72.1 tp60 -70.08 -45.06 67.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.22 172.373 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 147' ' ' GLN . . . . . . . . . . . . . 34.4 tt0 -58.35 -44.14 88.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.246 172.742 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 148' ' ' ILE . . . . . . . . . . . . . 94.1 mt -59.68 -46.38 93.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.237 -179.402 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -67.67 -40.27 84.44 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.177 177.386 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 92.5 m-20 -62.38 -34.2 76.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.258 178.677 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 151' ' ' LYS . . . . . 0.445 ' HD3' ' HA ' ' A' ' 151' ' ' LYS . 61.2 mmtt -80.1 -30.08 39.11 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.194 -178.895 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 152' ' ' PHE . . . . . . . . . . . . . 14.5 m-30 -59.93 -38.65 82.97 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.228 171.253 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 153' ' ' VAL . . . . . . . . . . . . . 79.1 t -68.46 -40.05 81.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.222 176.762 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -76.37 -19.63 57.98 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.145 176.642 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 155' ' ' LEU . . . . . . . . . . . . . 62.8 tp -80.22 -54.47 5.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.19 -177.107 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . 85.18 8.0 82.38 Favored Glycine 0 CA--C 1.523 0.544 0 N-CA-C 111.154 -0.778 . . . . 0.0 111.154 174.454 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 157' ' ' TYR . . . . . . . . . . . . . 98.9 m-85 -116.22 -25.0 7.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.794 0.33 . . . . 0.0 111.229 177.615 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 158' ' ' VAL . . . . . 0.424 HG22 HD12 ' A' ' 122' ' ' ILE . 57.6 t -119.95 140.03 45.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.217 -176.356 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 159' ' ' TRP . . . . . . . . . . . . . 16.9 m-90 -114.93 140.98 48.56 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.232 175.468 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 160' ' ' SER . . . . . . . . . . . . . 35.2 t -87.9 138.14 31.72 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.153 -172.444 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 161' ' ' CYS . . . . . 0.426 ' SG ' ' HA3' ' A' ' 171' ' ' GLY . 73.4 m -122.07 151.7 40.61 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.214 169.777 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -88.64 155.68 50.64 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.218 177.17 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 163' ' ' PRO . . . . . . . . . . . . . 95.2 Cg_endo -77.0 65.04 7.81 Favored 'Trans proline' 0 N--CA 1.458 -0.573 0 C-N-CA 121.667 1.578 . . . . 0.0 111.169 -179.743 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 164' ' ' THR . . . . . . . . . . . . . 13.0 t -159.93 -179.13 7.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.203 176.647 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 165' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -62.92 -45.97 90.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.195 -173.17 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 166' ' ' THR . . . . . . . . . . . . . 71.6 p -89.8 -10.11 46.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.199 -174.165 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 167' ' ' GLY . . . . . . . . . . . . . . . -66.67 -43.34 92.21 Favored Glycine 0 CA--C 1.524 0.598 0 N-CA-C 111.193 -0.763 . . . . 0.0 111.193 -178.549 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 168' ' ' LEU . . . . . . . . . . . . . 42.9 tp -66.05 -50.48 64.01 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.858 0.361 . . . . 0.0 111.128 179.819 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 169' ' ' ILE . . . . . 0.404 HD13 ' HA ' ' A' ' 169' ' ' ILE . 8.6 tp -67.37 -23.69 30.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.212 -175.854 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 170' ' ' ALA . . . . . . . . . . . . . . . -69.74 -43.03 73.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.25 174.176 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 171' ' ' GLY . . . . . 0.426 ' HA3' ' SG ' ' A' ' 161' ' ' CYS . . . -71.64 -30.61 66.14 Favored Glycine 0 CA--C 1.522 0.513 0 N-CA-C 111.241 -0.743 . . . . 0.0 111.241 177.148 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 172' ' ' LEU . . . . . 0.401 HD13 HD22 ' A' ' 34' ' ' LEU . 81.6 mt -69.53 -34.52 74.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.753 0.311 . . . . 0.0 111.17 174.571 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 173' ' ' ARG . . . . . . . . . . . . . 37.1 ttm180 -66.71 -39.99 88.26 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.25 168.444 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -65.02 -33.57 76.37 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.234 -176.687 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 47.4 p -64.89 -18.28 65.05 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.163 178.195 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 176' ' ' GLN . . . . . . . . . . . . . 93.5 mm-40 -106.63 -26.96 11.12 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.211 -176.36 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 177' ' ' THR . . . . . . . . . . . . . 79.3 p -115.04 -42.87 3.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.189 -171.254 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 178' ' ' GLU . . . . . . . . . . . . . 18.5 tp10 -84.95 107.86 17.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.259 -172.394 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 179' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -80.21 119.35 22.85 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.25 175.036 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 180' ' ' LEU . . . . . . . . . . . . . 74.0 mt -102.84 168.63 9.1 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.225 178.396 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 181' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -79.98 118.15 70.98 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.174 -175.03 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 182' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_exo -58.22 129.09 31.21 Favored 'Trans proline' 0 N--CA 1.458 -0.598 0 C-N-CA 121.706 1.604 . . . . 0.0 111.167 178.529 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 183' ' ' PHE . . . . . . . . . . . . . 9.6 t80 -71.87 139.99 83.28 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.259 172.693 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 184' ' ' PRO . . . . . . . . . . . . . 95.7 Cg_exo -50.93 -37.71 56.75 Favored 'Trans proline' 0 N--CA 1.459 -0.552 0 C-N-CA 121.699 1.599 . . . . 0.0 111.211 -176.705 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 185' ' ' VAL . . . . . . . . . . . . . 98.8 t -75.97 130.76 35.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.255 -178.909 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 186' ' ' SER . . . . . . . . . . . . . 84.2 p -116.99 5.09 12.81 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.201 178.504 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 187' ' ' HIS . . . . . . . . . . . . . 96.2 m-70 -90.06 120.45 31.26 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.195 -177.673 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 188' ' ' ASN . . . . . 0.521 ' N ' ' CD ' ' A' ' 189' ' ' PRO . 98.5 m-20 -64.92 -44.58 72.48 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.207 178.953 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 189' ' ' PRO . . . . . 0.521 ' CD ' ' N ' ' A' ' 188' ' ' ASN . 73.2 Cg_exo -53.95 -34.89 78.5 Favored 'Trans proline' 0 N--CA 1.458 -0.572 0 C-N-CA 121.628 1.552 . . . . 0.0 111.24 179.518 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 190' ' ' SER . . . . . . . . . . . . . 74.6 m -70.56 -38.81 74.19 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.217 177.827 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 191' ' ' PHE . . . . . 0.466 ' HA ' ' HB3' ' A' ' 194' ' ' LEU . 22.3 m-85 -71.71 -15.81 62.21 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.26 -175.264 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 192' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -60.1 -25.39 65.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.187 -179.628 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 193' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -123.84 -28.65 3.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.163 175.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 194' ' ' LEU . . . . . 0.466 ' HB3' ' HA ' ' A' ' 191' ' ' PHE . 59.5 tp -65.13 -37.49 87.6 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.193 -176.504 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 195' ' ' LEU . . . . . . . . . . . . . 48.2 mt -51.63 -54.02 32.34 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.186 -178.695 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 196' ' ' VAL . . . . . . . . . . . . . 68.6 t -63.09 -39.72 86.31 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.151 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 197' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -58.27 -43.91 88.16 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.165 -178.017 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 198' ' ' THR . . . . . . . . . . . . . 82.8 p -90.1 -31.26 17.2 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.182 -172.069 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 199' ' ' ILE . . . . . . . . . . . . . 92.2 mt -71.11 -50.62 40.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.248 178.647 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 200' ' ' TYR . . . . . . . . . . . . . 91.4 m-85 -99.86 25.12 7.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.162 -176.325 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 201' ' ' SER . . . . . . . . . . . . . 42.2 t . . . . . 0 C--O 1.2 -1.535 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.243 177.792 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 60.2 mm-40 . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.821 0.343 . . . . 0.0 111.229 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -83.36 151.99 25.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.22 179.162 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -154.72 144.32 21.45 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.186 -176.579 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 63.2 tp -111.2 122.56 48.19 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.228 176.118 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 70.6 t80 -102.45 129.61 48.99 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.234 -174.182 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 97.2 t -115.32 128.88 72.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.274 177.932 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 9.1 t -136.66 147.38 46.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.193 174.215 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 75.7 m -121.99 151.98 40.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.185 -176.264 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -91.77 -166.89 40.13 Favored Glycine 0 CA--C 1.523 0.57 0 N-CA-C 111.145 -0.782 . . . . 0.0 111.145 174.793 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -98.46 5.89 47.67 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.806 0.336 . . . . 0.0 111.267 178.595 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 90.3 m -60.22 -45.96 91.4 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.206 -176.148 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 27.7 m -132.73 162.17 59.0 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.26 178.756 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_exo -55.09 137.59 76.89 Favored 'Trans proline' 0 N--CA 1.458 -0.575 0 C-N-CA 121.699 1.6 . . . . 0.0 111.163 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' PHE . . . . . 0.537 ' N ' ' CD ' ' A' ' 19' ' ' PRO . 69.6 t80 -66.53 -42.99 50.09 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.212 -178.6 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' PRO . . . . . 0.537 ' CD ' ' N ' ' A' ' 18' ' ' PHE . 79.8 Cg_exo -51.61 -35.7 57.83 Favored 'Trans proline' 0 N--CA 1.458 -0.571 0 C-N-CA 121.644 1.563 . . . . 0.0 111.173 -178.918 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -73.18 -24.02 60.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.127 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 87.0 mt -87.18 -9.06 56.16 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.236 -179.091 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 75.4 t -73.07 -40.9 59.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.19 178.06 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 84.1 p -71.14 -19.73 62.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.217 -179.867 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 87.0 m -78.51 -16.65 57.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.248 -179.628 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 26.8 m -120.76 3.96 6.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.243 -178.66 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 91.1 mt -126.26 31.71 5.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.188 171.676 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 51.5 p -79.64 164.98 23.35 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.23 178.196 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 89.0 m-20 -59.55 -46.28 89.34 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.244 -178.508 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -73.91 -40.86 62.84 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.181 -178.56 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 57.4 t80 -55.08 -46.15 75.43 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.18 -177.048 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 89.5 m -75.9 -42.43 49.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.133 -178.336 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 65.2 tt0 -65.99 -33.67 76.35 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.242 -173.778 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 73.4 mm-40 -80.03 -39.72 29.27 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.229 -174.706 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.469 HD21 HD13 ' A' ' 172' ' ' LEU . 40.1 mt -65.7 -36.32 83.3 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.204 -172.901 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 49.4 pt -69.05 -11.63 15.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.206 179.257 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 61.0 mt-30 -101.33 -12.42 18.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.244 174.217 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 19.2 m-30 -90.26 -27.59 19.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.219 178.463 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 113.55 22.82 5.31 Favored Glycine 0 CA--C 1.523 0.531 0 N-CA-C 111.199 -0.761 . . . . 0.0 111.199 -177.568 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 88.4 m-85 -118.3 75.09 0.99 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.783 0.325 . . . . 0.0 111.183 177.178 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 31.1 m -94.09 -6.43 10.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.199 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 92.0 mtt-85 -109.48 93.52 4.55 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.2 175.653 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 60.1 tp -104.08 116.24 31.87 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.252 -175.63 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 5.3 mp -114.18 119.54 61.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.198 -179.276 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 65.4 mt -115.54 124.79 72.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.162 -175.469 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 3.5 pp0? -102.42 144.82 30.4 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.232 -169.209 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 31.9 p90 -151.79 160.09 43.69 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.238 172.431 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -102.56 -27.92 6.56 Favored Glycine 0 CA--C 1.522 0.499 0 N-CA-C 111.27 -0.732 . . . . 0.0 111.27 -178.544 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 96.6 mtt-85 -111.8 146.68 37.2 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.778 0.323 . . . . 0.0 111.163 175.998 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 57.9 t-20 -59.36 109.33 0.85 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.195 -174.298 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 74.0 m-85 -124.81 27.65 6.73 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.161 172.0 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 92.9 p -66.38 -22.39 66.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.242 -172.137 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 93.3 p -71.99 -25.45 61.84 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.218 179.355 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 73.2 mm-40 -75.59 -26.85 58.24 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.202 178.665 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 98.3 m-85 -80.14 -45.46 18.12 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.23 176.154 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 88.2 tt0 -63.46 -36.69 84.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.219 178.184 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 83.9 t60 -56.58 -54.59 44.21 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.272 -178.86 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 84.2 mt -68.54 -25.4 64.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.217 -173.979 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 55.1 t -66.77 -42.45 89.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.245 171.136 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 88.2 mt-30 -70.35 -21.45 62.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.188 176.433 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 77.5 mm-40 -81.15 -2.42 48.41 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.202 176.634 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 90.6 mmt-85 -126.18 -3.11 6.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.228 175.138 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 74.62 27.03 66.03 Favored Glycine 0 CA--C 1.523 0.576 0 N-CA-C 111.226 -0.75 . . . . 0.0 111.226 174.897 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -86.32 -172.24 48.45 Favored Glycine 0 CA--C 1.523 0.555 0 N-CA-C 111.197 -0.761 . . . . 0.0 111.197 -178.452 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 97.1 mm-40 -115.03 171.89 7.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.757 0.313 . . . . 0.0 111.195 178.822 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -168.04 150.01 5.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.182 176.279 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 44.5 tt0 -151.0 130.46 12.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.181 -175.06 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 69.7 m -72.86 121.0 19.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.277 172.623 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 89.5 mt-30 -130.01 154.87 46.96 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.264 -168.348 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -80.08 70.31 6.65 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.174 175.726 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 46.1 mm -62.07 123.37 77.62 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.232 -176.705 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 58.4 Cg_exo -57.66 129.9 36.01 Favored 'Trans proline' 0 N--CA 1.458 -0.584 0 C-N-CA 121.704 1.603 . . . . 0.0 111.19 -177.941 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 93.9 mt -71.24 -36.49 62.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.226 171.379 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 99.0 m-20 -61.93 -37.08 83.36 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.173 178.865 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 50.9 tp60 -79.96 -65.3 1.02 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.246 -179.514 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 95.5 m-85 -97.73 -43.47 7.15 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.187 -173.613 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 112.97 -15.62 23.41 Favored Glycine 0 CA--C 1.522 0.482 0 N-CA-C 111.175 -0.77 . . . . 0.0 111.175 -176.351 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 71.6 m -71.66 159.91 33.58 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.845 0.355 . . . . 0.0 111.127 176.536 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -92.85 -166.96 38.9 Favored Glycine 0 CA--C 1.523 0.56 0 N-CA-C 111.239 -0.745 . . . . 0.0 111.239 -174.088 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 99.1 m-20 -84.66 -7.09 59.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.805 0.336 . . . . 0.0 111.213 -174.381 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 69.7 p -96.9 0.82 49.67 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.204 178.665 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -65.23 144.7 57.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.231 176.731 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 43.4 ttm180 -114.14 132.49 56.05 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.129 -179.054 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 49.7 tt0 -91.38 129.9 37.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.147 173.747 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 84' ' ' TYR . . . . . 0.433 ' HB2' ' HB ' ' A' ' 93' ' ' VAL . 76.8 m-85 -111.59 140.15 46.44 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.223 178.312 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 92.4 t -105.47 111.72 35.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.252 -174.416 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 92.8 mt -125.83 158.43 35.04 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.157 179.621 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 76.8 mmm 60.56 33.0 20.53 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.161 178.346 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 96.5 m-20 65.08 34.09 9.02 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.144 177.728 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 94.97 -4.08 67.71 Favored Glycine 0 CA--C 1.523 0.567 0 N-CA-C 111.252 -0.739 . . . . 0.0 111.252 175.013 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -74.73 -26.69 59.97 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.781 0.324 . . . . 0.0 111.15 -179.794 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 65.5 tp -117.31 120.78 39.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.176 175.608 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -108.08 117.43 34.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.213 175.855 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 93' ' ' VAL . . . . . 0.433 ' HB ' ' HB2' ' A' ' 84' ' ' TYR . 64.0 t -110.71 125.38 68.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.214 -174.872 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 88.1 mt -105.92 121.47 58.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.158 177.993 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -114.71 135.02 12.05 Favored Glycine 0 CA--C 1.523 0.573 0 N-CA-C 111.188 -0.765 . . . . 0.0 111.188 175.634 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 72.4 t80 -156.82 141.19 16.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.826 0.346 . . . . 0.0 111.143 -173.448 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 63.1 t0 -83.3 105.05 13.94 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.199 173.879 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 69.1 m-85 -83.32 145.0 29.32 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.161 -173.749 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 47.8 t -115.02 -65.0 1.24 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.17 -171.946 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 41.9 p -116.75 -105.2 0.4 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.228 -169.062 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -97.17 0.95 49.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.189 -173.468 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 76.5 mtm -62.97 -29.91 71.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.163 179.462 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 7.8 pt20 -73.17 -22.39 60.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.188 178.879 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 71.5 m -84.84 -29.84 24.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.227 176.82 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 96.8 mt -64.0 -48.59 85.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.128 175.226 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 8.8 tp -66.82 -30.02 48.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.178 -179.819 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 81.3 mtm-85 -63.62 -49.12 74.54 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.201 175.684 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 97.9 m-20 -64.77 -35.92 82.63 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.248 177.187 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 109' ' ' TYR . . . . . . . . . . . . . 88.6 t80 -67.78 -40.23 83.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.213 178.31 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 77.4 p -70.84 166.41 21.13 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.208 -175.045 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 45.7 m-20 -101.31 -34.47 9.61 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.229 178.189 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 64.5 tp -137.3 129.87 29.96 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.199 -172.19 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 99.4 t -104.09 129.53 56.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.187 -176.766 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 114' ' ' ILE . . . . . 0.432 HD11 HD21 ' A' ' 172' ' ' LEU . 96.4 mt -106.39 123.71 61.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.245 173.881 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 48.1 t -108.47 113.77 27.07 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.232 175.847 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 93.0 m-70 -83.73 89.88 7.22 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.193 172.494 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . 47.55 45.05 17.52 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.22 -177.673 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -88.2 175.05 44.31 Favored Glycine 0 CA--C 1.523 0.564 0 N-CA-C 111.252 -0.739 . . . . 0.0 111.252 -179.133 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 38.0 p -125.09 -70.38 0.75 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.832 0.349 . . . . 0.0 111.187 177.858 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -65.83 -27.81 73.08 Favored Glycine 0 CA--C 1.524 0.639 0 N-CA-C 111.153 -0.779 . . . . 0.0 111.153 177.722 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 84.5 p -65.18 -30.77 71.71 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.798 0.332 . . . . 0.0 111.174 178.644 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 122' ' ' ILE . . . . . . . . . . . . . 95.0 mt -69.13 -44.37 80.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.214 173.907 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 81.5 mt -61.46 -35.27 77.15 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.242 174.926 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 96.1 m-20 -65.95 -50.41 64.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.17 -175.912 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 21.1 t -62.71 -40.46 97.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.181 179.516 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 88.4 mt -73.42 -20.64 60.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.199 -179.851 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 80.8 ttt180 -85.81 -35.11 20.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.183 176.727 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 97.0 mt -89.05 2.92 53.32 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.238 -176.031 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 33.0 m120 65.84 37.32 5.63 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.228 177.426 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 71.7 mmtt -108.78 145.71 32.23 Favored Pre-proline 0 C--N 1.33 -0.257 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.209 176.383 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_endo -65.02 143.97 80.68 Favored 'Trans proline' 0 N--CA 1.459 -0.52 0 C-N-CA 121.693 1.596 . . . . 0.0 111.163 175.16 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 61.0 tp -131.49 124.05 29.34 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.185 -167.671 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 83.1 mt -106.6 121.04 58.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.191 166.867 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 81.0 t -108.81 118.54 56.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.209 -176.949 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 135' ' ' CYS . . . . . . . . . . . . . 52.8 t -93.41 122.15 35.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.181 174.088 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 27.1 m -84.66 172.83 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.276 -176.278 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 64.3 t30 . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.195 179.426 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.759 0.314 . . . . 0.0 111.241 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 93.7 m-20 -59.51 -38.84 82.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.173 -176.512 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 151' ' ' LYS . . . . . . . . . . . . . 74.9 mmtt -84.72 -33.83 23.04 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.147 -173.263 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 152' ' ' PHE . . . . . . . . . . . . . 11.0 m-30 -71.01 -36.16 72.31 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.247 176.184 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 153' ' ' VAL . . . . . . . . . . . . . 54.0 t -68.41 -40.2 81.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.215 173.387 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -56.82 -41.01 77.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.155 171.026 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 155' ' ' LEU . . . . . . . . . . . . . 44.6 tp -59.65 -58.29 9.25 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.23 176.424 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . 96.0 5.26 59.73 Favored Glycine 0 CA--C 1.522 0.504 0 N-CA-C 111.194 -0.762 . . . . 0.0 111.194 175.952 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 157' ' ' TYR . . . . . . . . . . . . . 34.8 m-85 -122.63 -10.79 8.31 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.8 0.333 . . . . 0.0 111.23 -179.313 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 158' ' ' VAL . . . . . . . . . . . . . 77.9 t -129.82 140.0 50.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.215 173.168 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 159' ' ' TRP . . . . . . . . . . . . . 51.9 t-105 -121.77 128.43 51.73 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.242 179.7 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 160' ' ' SER . . . . . . . . . . . . . 33.6 t -94.61 139.13 31.61 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.222 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 161' ' ' CYS . . . . . . . . . . . . . 91.8 m -125.46 151.78 45.8 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.16 179.171 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -74.51 161.12 79.37 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.19 -178.431 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 163' ' ' PRO . . . . . . . . . . . . . 85.5 Cg_endo -79.5 64.2 8.82 Favored 'Trans proline' 0 N--CA 1.457 -0.653 0 C-N-CA 121.773 1.649 . . . . 0.0 111.219 -177.632 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 164' ' ' THR . . . . . . . . . . . . . 1.9 p -140.16 174.06 10.89 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.167 174.791 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 165' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -83.57 12.25 5.99 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.253 178.971 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 166' ' ' THR . . . . . . . . . . . . . 74.5 p -132.23 -25.48 1.98 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.223 -174.599 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 167' ' ' GLY . . . . . . . . . . . . . . . -64.93 -33.92 88.53 Favored Glycine 0 CA--C 1.524 0.611 0 N-CA-C 111.223 -0.751 . . . . 0.0 111.223 178.845 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 168' ' ' LEU . . . . . . . . . . . . . 55.5 tp -68.44 -52.04 37.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.77 0.319 . . . . 0.0 111.172 -179.013 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 10.0 tp -67.79 -24.2 30.44 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.187 -179.0 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 170' ' ' ALA . . . . . . . . . . . . . . . -65.34 -41.03 94.33 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.204 170.529 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 171' ' ' GLY . . . . . . . . . . . . . . . -71.7 -30.41 66.26 Favored Glycine 0 CA--C 1.523 0.536 0 N-CA-C 111.231 -0.747 . . . . 0.0 111.231 175.711 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 172' ' ' LEU . . . . . 0.469 HD13 HD21 ' A' ' 34' ' ' LEU . 58.6 mt -73.01 -25.49 60.99 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.813 0.339 . . . . 0.0 111.211 176.57 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 173' ' ' ARG . . . . . . . . . . . . . 42.6 ttm180 -72.09 -37.83 69.49 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.22 164.668 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -77.64 -14.13 59.72 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.21 -176.81 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 28.8 p -63.64 -22.89 67.14 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.215 178.087 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 176' ' ' GLN . . . . . . . . . . . . . 85.7 mt-30 -113.52 -42.78 3.41 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.251 177.297 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 177' ' ' THR . . . . . . . . . . . . . 92.9 m -64.56 -47.0 80.38 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.18 179.353 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 178' ' ' GLU . . . . . . . . . . . . . 68.6 mm-40 -100.18 165.17 11.63 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.16 178.734 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 179' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -66.8 107.16 2.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.219 -178.895 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 180' ' ' LEU . . . . . . . . . . . . . 56.5 tp . . . . . 0 C--N 1.328 -0.339 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.22 169.845 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 95.3 mt-10 . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.734 0.302 . . . . 0.0 111.248 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 6' ' ' LYS . . . . . 0.437 ' HB2' ' HA ' ' A' ' 39' ' ' PHE . 75.0 mmtt -90.14 135.58 33.57 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.19 173.407 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -124.46 134.55 53.02 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.155 -168.449 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 82.0 mt -86.24 144.84 27.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.167 167.138 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 83.9 t80 -114.79 96.22 5.62 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.198 174.387 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 96.4 t -97.61 121.21 47.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.188 -178.064 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 97.2 m -109.3 121.62 45.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.199 170.461 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 80.1 m -103.08 127.62 50.27 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.231 -179.034 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -72.74 162.83 54.8 Favored Glycine 0 CA--C 1.523 0.584 0 N-CA-C 111.19 -0.764 . . . . 0.0 111.19 177.849 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -95.2 -2.84 48.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.789 0.328 . . . . 0.0 111.199 -178.207 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 90.2 m -57.86 -40.4 80.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.156 179.5 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.409 ' HB ' ' HD2' ' A' ' 17' ' ' PRO . 34.7 m -121.99 163.38 31.85 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.209 177.462 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.409 ' HD2' ' HB ' ' A' ' 16' ' ' VAL . 80.1 Cg_exo -52.58 139.19 57.57 Favored 'Trans proline' 0 N--CA 1.458 -0.584 0 C-N-CA 121.706 1.604 . . . . 0.0 111.2 -179.62 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' PHE . . . . . 0.591 ' N ' ' CD ' ' A' ' 19' ' ' PRO . 46.1 m-85 -72.76 -38.75 5.11 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.219 -179.512 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' PRO . . . . . 0.591 ' CD ' ' N ' ' A' ' 18' ' ' PHE . 83.4 Cg_exo -51.25 -34.48 49.3 Favored 'Trans proline' 0 N--CA 1.458 -0.578 0 C-N-CA 121.682 1.588 . . . . 0.0 111.166 176.621 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 95.1 mttt -69.53 -32.52 71.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.22 176.769 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.409 HD22 ' HB3' ' A' ' 116' ' ' HIS . 88.5 mt -88.57 -4.9 58.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.209 -171.655 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 33.9 m -115.01 -2.79 10.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.199 176.973 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 79.0 p -72.78 -17.19 61.61 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.227 176.04 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 71.6 m -86.32 -18.17 32.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.181 -177.935 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 33.3 m -107.24 -1.73 9.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.224 -175.24 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 96.6 mt -112.4 15.18 20.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.213 -179.655 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 60.3 p -78.24 154.94 30.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.242 173.877 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -65.89 -36.48 83.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.22 179.072 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -70.45 -40.24 73.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.224 -179.446 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.402 ' CE2' HD22 ' A' ' 34' ' ' LEU . 67.9 t80 -62.78 -51.66 66.23 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.163 177.944 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 86.1 m -64.98 -32.41 74.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.208 -174.929 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 29.0 tt0 -71.51 -60.06 2.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.191 176.497 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 70.9 mm-40 -63.71 -32.89 74.52 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.202 -172.713 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.402 HD22 ' CE2' ' A' ' 30' ' ' PHE . 54.0 tp -57.86 -47.86 81.5 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.144 -179.458 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 91.0 mt -64.72 -32.61 58.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.17 177.36 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 99.7 mm-40 -68.74 -18.86 64.3 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.187 174.98 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 18.1 m-30 -88.7 -7.2 56.73 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.211 176.03 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 100.52 1.41 55.48 Favored Glycine 0 CA--C 1.523 0.56 0 N-CA-C 111.252 -0.739 . . . . 0.0 111.252 177.578 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.437 ' HA ' ' HB2' ' A' ' 6' ' ' LYS . 62.8 m-85 -97.5 128.11 44.0 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.766 0.317 . . . . 0.0 111.197 -177.366 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 27.5 m -131.85 -2.88 1.91 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.208 -173.727 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 28.2 ttm180 -124.94 139.97 53.35 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.183 177.639 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 57.8 tp -133.44 115.4 14.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.248 -179.807 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.429 HG23 ' CD1' ' A' ' 96' ' ' PHE . 98.2 mt -104.95 118.56 52.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.203 178.961 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 79.6 mt -118.56 115.94 49.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.178 -176.823 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 55.9 tp60 -78.41 129.73 35.28 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.243 173.828 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 77.6 m-85 -113.9 158.88 20.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.235 177.575 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -77.19 -62.12 2.51 Favored Glycine 0 CA--C 1.523 0.564 0 N-CA-C 111.199 -0.76 . . . . 0.0 111.199 -176.733 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 66.6 ttt180 -159.91 127.59 4.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.749 0.309 . . . . 0.0 111.208 -176.772 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 61.4 t30 61.02 57.43 2.53 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.185 171.0 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 87.5 m-85 -129.33 -36.69 1.69 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.202 173.501 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' SER . . . . . 0.443 ' O ' ' HB2' ' A' ' 82' ' ' ARG . 52.1 p -85.08 5.73 28.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.156 -179.714 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 69.5 m -55.78 -52.51 63.71 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.201 169.553 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 25.5 pt-20 -166.42 154.22 10.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.207 173.986 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 71.3 m-85 -122.78 25.02 8.87 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.223 174.904 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 25.3 tp10 -42.2 -45.15 4.0 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.174 -174.81 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 82.7 t60 -56.36 -55.08 37.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.183 178.924 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 97.1 mt -63.11 -33.02 74.55 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.201 -177.402 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.463 HG21 ' HB2' ' A' ' 65' ' ' ARG . 73.5 t -67.99 -36.99 77.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.239 -176.787 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 85.1 mt-30 -75.22 -18.64 60.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.234 179.522 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 76.3 mm-40 -80.07 -5.23 55.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.185 179.717 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 89.4 mmt-85 -125.15 -28.64 3.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.214 175.95 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 85.14 38.24 9.32 Favored Glycine 0 CA--C 1.523 0.562 0 N-CA-C 111.19 -0.764 . . . . 0.0 111.19 -173.753 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -95.31 -155.72 31.46 Favored Glycine 0 CA--C 1.524 0.608 0 N-CA-C 111.162 -0.775 . . . . 0.0 111.162 -175.176 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 62.9 tt0 -130.48 141.44 50.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.808 0.337 . . . . 0.0 111.157 -179.213 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 65' ' ' ARG . . . . . 0.463 ' HB2' HG21 ' A' ' 58' ' ' VAL . 69.2 ttp85 -119.93 121.92 40.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.157 -173.392 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 78.0 mm-40 -135.73 168.18 19.77 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.227 -175.823 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 70.1 m -97.74 136.93 37.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.183 -177.798 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 80.5 mm-40 -120.01 103.62 9.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.192 168.79 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 93.9 mttt -99.98 80.39 2.3 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.179 177.353 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 73.4 mt -99.07 126.64 37.44 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.218 -174.768 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 79.2 Cg_exo -50.81 128.31 23.92 Favored 'Trans proline' 0 N--CA 1.458 -0.614 0 C-N-CA 121.679 1.586 . . . . 0.0 111.204 178.299 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 96.8 mt -78.21 -44.01 27.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.165 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 99.2 m-20 -75.79 -10.47 59.45 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.162 -171.974 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 63.2 tt0 -105.01 -49.96 3.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.207 -178.522 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 91.0 m-85 -103.33 -17.76 15.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.238 -173.402 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 79.7 18.93 71.95 Favored Glycine 0 CA--C 1.523 0.535 0 N-CA-C 111.193 -0.763 . . . . 0.0 111.193 -178.992 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 73.9 m -118.69 152.69 35.65 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.767 0.317 . . . . 0.0 111.238 -179.673 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -63.87 142.35 46.38 Favored Glycine 0 CA--C 1.523 0.59 0 N-CA-C 111.199 -0.76 . . . . 0.0 111.199 -172.926 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 56.5 p-10 -93.25 6.74 47.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.763 0.316 . . . . 0.0 111.206 177.449 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 54.3 p -124.97 41.74 3.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.212 174.739 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -86.5 145.53 26.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.184 -171.256 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 82' ' ' ARG . . . . . 0.443 ' HB2' ' O ' ' A' ' 51' ' ' SER . 20.2 tpp180 -110.03 115.27 29.47 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.221 -176.613 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 64.7 tt0 -83.02 118.32 23.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.166 -176.738 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -110.02 99.45 8.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.161 177.55 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 91.4 t -77.08 124.0 34.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.186 -175.26 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 83.8 mt -125.79 161.61 26.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.168 178.494 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 92.8 mmm 66.01 30.02 9.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.231 173.992 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 96.5 m-20 65.08 35.6 7.88 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.21 176.27 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 88.37 29.14 20.38 Favored Glycine 0 CA--C 1.524 0.601 0 N-CA-C 111.206 -0.758 . . . . 0.0 111.206 176.206 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -115.53 -20.25 10.28 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.785 0.326 . . . . 0.0 111.233 179.53 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.415 ' HG ' HG23 ' A' ' 93' ' ' VAL . 64.6 tp -121.72 120.08 33.61 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.183 177.601 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 97.1 mttt -101.78 91.68 4.5 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.173 -178.056 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 93' ' ' VAL . . . . . 0.415 HG23 ' HG ' ' A' ' 91' ' ' LEU . 84.3 t -95.54 105.89 17.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.207 176.032 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 67.6 mt -115.03 122.98 70.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.206 -175.148 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -85.44 133.26 11.66 Favored Glycine 0 CA--C 1.524 0.597 0 N-CA-C 111.194 -0.762 . . . . 0.0 111.194 179.865 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 96' ' ' PHE . . . . . 0.429 ' CD1' HG23 ' A' ' 43' ' ' ILE . 96.8 m-85 -122.44 101.61 7.6 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.776 0.322 . . . . 0.0 111.2 -178.824 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 28.5 t70 -97.73 92.05 5.68 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.202 168.34 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 12.6 p90 -152.02 179.92 8.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.211 -179.824 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 82.1 p -61.23 -176.87 0.08 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.177 -176.055 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 47.0 p -91.52 35.39 0.95 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.203 -173.655 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 75.5 mmtt -80.68 8.2 8.53 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.172 169.295 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 25.9 ptt? -66.56 -10.06 41.43 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.171 174.666 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 88.5 mt-30 -59.93 -22.53 62.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.225 174.332 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 71.4 m -76.87 -37.05 56.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.24 171.918 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 96.6 mt -66.89 -43.09 89.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.187 -177.839 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 17.7 tt -64.73 -18.02 22.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.205 -173.199 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 79.3 ttt180 -98.7 -40.08 8.35 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.218 176.648 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 96.3 m-20 -87.65 -54.12 4.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.212 -167.854 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 109' ' ' TYR . . . . . . . . . . . . . 90.9 m-85 -95.59 -36.15 11.36 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.214 -171.117 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 47.3 t -60.43 129.02 39.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.173 -176.377 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 53.3 m-20 -105.56 -30.53 9.46 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.234 169.46 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 10.0 tt -139.05 132.12 29.62 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.196 168.389 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 90.8 t -91.96 139.06 18.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.189 -174.323 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 69.4 mt -131.81 134.29 60.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.221 179.352 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 32.3 t -122.24 113.38 19.38 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.223 -178.296 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 116' ' ' HIS . . . . . 0.409 ' HB3' HD22 ' A' ' 21' ' ' LEU . 36.1 m170 -100.07 127.44 46.3 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.2 177.956 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . 59.36 53.04 5.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.19 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 170.13 157.99 13.29 Favored Glycine 0 CA--C 1.523 0.546 0 N-CA-C 111.169 -0.772 . . . . 0.0 111.169 175.113 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 72.3 p -128.04 1.2 5.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.766 0.317 . . . . 0.0 111.143 -176.686 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -68.97 -17.61 71.81 Favored Glycine 0 CA--C 1.523 0.564 0 N-CA-C 111.212 -0.755 . . . . 0.0 111.212 -178.456 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 60.2 m -65.25 -23.08 66.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.821 0.343 . . . . 0.0 111.203 179.751 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 122' ' ' ILE . . . . . . . . . . . . . 96.6 mt -51.96 -38.6 23.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.192 178.649 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 93.8 mt -65.16 -32.27 73.88 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.196 -177.319 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 52.6 m-20 -97.27 -34.67 11.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.213 -168.38 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 32.9 t -69.45 -41.68 75.92 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.231 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 39.7 mt -80.81 -26.91 36.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.232 -170.933 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 52.9 ptt85 -74.8 -11.72 60.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.183 174.312 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 128' ' ' LEU . . . . . 0.427 ' O ' ' HB2' ' A' ' 129' ' ' ASN . 95.2 mt -95.25 -3.75 47.0 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.232 170.039 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 129' ' ' ASN . . . . . 0.427 ' HB2' ' O ' ' A' ' 128' ' ' LEU . 88.9 m-20 64.74 34.66 9.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.241 -174.307 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 95.8 mttt -116.43 148.14 41.11 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.207 -177.922 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 46.6 Cg_endo -69.05 147.48 67.57 Favored 'Trans proline' 0 N--CA 1.459 -0.542 0 C-N-CA 121.688 1.592 . . . . 0.0 111.187 -179.29 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 132' ' ' LEU . . . . . 0.423 ' HB3' HG22 ' A' ' 158' ' ' VAL . 43.4 tp -128.25 128.38 44.56 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.169 178.891 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 89.9 mt -107.87 122.85 62.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.193 169.89 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 89.5 t -109.14 128.07 65.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.171 -177.28 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 135' ' ' CYS . . . . . . . . . . . . . 53.4 t -105.09 122.9 46.85 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.211 -179.013 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 69.9 t -66.94 130.68 32.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.17 179.526 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 46.0 p-10 . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.154 177.646 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.814 0.34 . . . . 0.0 111.21 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 93.6 m-20 -69.95 -40.26 75.57 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.213 -176.446 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 151' ' ' LYS . . . . . . . . . . . . . 75.9 mmtt -115.01 -59.96 1.95 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.24 -169.453 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 152' ' ' PHE . . . . . 0.47 ' HB3' ' HB ' ' A' ' 158' ' ' VAL . 37.9 m-85 -74.99 -31.18 61.37 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.202 -163.386 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 153' ' ' VAL . . . . . . . . . . . . . 55.0 t -70.1 -39.96 77.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.182 175.04 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -69.85 -31.0 68.62 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.158 176.311 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 155' ' ' LEU . . . . . . . . . . . . . 96.0 mt -79.49 -28.69 41.45 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.236 174.538 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . 80.82 46.54 7.14 Favored Glycine 0 CA--C 1.523 0.584 0 N-CA-C 111.199 -0.76 . . . . 0.0 111.199 174.241 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 157' ' ' TYR . . . . . . . . . . . . . 81.4 m-85 -125.47 -44.95 1.82 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.814 0.34 . . . . 0.0 111.203 177.045 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 158' ' ' VAL . . . . . 0.47 ' HB ' ' HB3' ' A' ' 152' ' ' PHE . 48.1 t -125.06 129.2 73.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.206 178.967 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 159' ' ' TRP . . . . . . . . . . . . . 25.9 m-90 -119.97 129.93 54.53 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.224 -178.15 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 160' ' ' SER . . . . . . . . . . . . . 97.4 p -86.94 151.12 23.58 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.216 -179.656 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 161' ' ' CYS . . . . . 0.402 ' SG ' ' HA3' ' A' ' 171' ' ' GLY . 92.1 m -129.99 147.98 51.8 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.206 175.922 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -65.7 158.29 75.23 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.238 177.832 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 163' ' ' PRO . . . . . . . . . . . . . 93.2 Cg_endo -74.96 65.77 6.01 Favored 'Trans proline' 0 N--CA 1.458 -0.608 0 C-N-CA 121.709 1.606 . . . . 0.0 111.23 179.246 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 164' ' ' THR . . . . . . . . . . . . . 13.1 t -160.29 -179.3 7.6 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.238 178.048 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 165' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 -73.74 -40.69 63.33 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.21 -172.868 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 166' ' ' THR . . . . . . . . . . . . . 81.4 p -81.39 -15.03 56.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.185 -173.818 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 167' ' ' GLY . . . . . . . . . . . . . . . -66.92 -47.92 63.47 Favored Glycine 0 CA--C 1.524 0.601 0 N-CA-C 111.153 -0.779 . . . . 0.0 111.153 177.536 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 168' ' ' LEU . . . . . . . . . . . . . 59.7 tp -64.32 -39.88 94.79 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.785 0.326 . . . . 0.0 111.155 176.857 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 96.0 mt -61.28 -43.83 97.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.255 177.744 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 170' ' ' ALA . . . . . . . . . . . . . . . -65.51 -33.01 74.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.222 175.304 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 171' ' ' GLY . . . . . 0.402 ' HA3' ' SG ' ' A' ' 161' ' ' CYS . . . -62.39 -37.04 93.98 Favored Glycine 0 CA--C 1.523 0.564 0 N-CA-C 111.223 -0.751 . . . . 0.0 111.223 178.641 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 83.1 mt -61.05 -35.04 75.86 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.78 0.324 . . . . 0.0 111.166 177.316 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 173' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -77.38 -32.82 55.15 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.207 174.533 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -64.96 -31.18 72.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.17 -179.224 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 54.0 p -64.28 -20.82 66.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.176 179.508 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 176' ' ' GLN . . . . . . . . . . . . . 92.7 mm-40 -100.96 6.26 43.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.219 -176.626 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 177' ' ' THR . . . . . . . . . . . . . 89.4 m -70.59 -45.45 65.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.248 -179.038 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 178' ' ' GLU . . . . . . . . . . . . . 94.3 mt-10 -123.97 149.95 45.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.19 -178.531 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 179' ' ' LYS . . . . . . . . . . . . . 87.4 tttt -76.4 110.05 10.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.191 -179.422 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 180' ' ' LEU . . . . . 0.472 ' C ' HD23 ' A' ' 180' ' ' LEU . 7.1 tt . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.183 179.894 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.78 0.324 . . . . 0.0 111.216 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 91.4 mttt -83.05 156.09 23.54 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.232 -176.897 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' ALA . . . . . 0.434 ' HB3' ' HA ' ' A' ' 110' ' ' SER . . . -143.96 131.73 21.38 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.193 -172.715 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 91.4 mt -94.77 147.86 22.89 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.195 177.376 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 40.0 t80 -123.04 118.1 26.98 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.129 168.338 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 94.2 t -110.08 125.2 67.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.256 -168.935 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 96.9 m -125.01 117.25 23.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.189 171.571 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 72.4 m -82.78 168.68 16.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.244 -175.144 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -120.92 -160.39 11.07 Favored Glycine 0 CA--C 1.522 0.516 0 N-CA-C 111.2 -0.76 . . . . 0.0 111.2 -176.78 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -90.26 -48.14 7.34 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.745 0.307 . . . . 0.0 111.151 -176.506 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 80.0 m -69.88 -40.41 75.7 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.217 178.909 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 42.7 t -121.76 83.03 42.27 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.253 172.419 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.47 ' HG2' ' HD2' ' A' ' 19' ' ' PRO . 91.1 Cg_endo -81.04 -132.27 0.01 OUTLIER 'Trans proline' 0 N--CA 1.458 -0.587 0 C-N-CA 121.707 1.605 . . . . 0.0 111.16 -176.904 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' PHE . . . . . 0.572 ' HB2' ' HD3' ' A' ' 19' ' ' PRO . 93.6 m-85 -96.27 -45.9 0.25 Allowed Pre-proline 0 C--N 1.328 -0.329 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.195 -164.366 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' PRO . . . . . 0.572 ' HD3' ' HB2' ' A' ' 18' ' ' PHE . 83.0 Cg_exo -50.22 -27.9 18.76 Favored 'Trans proline' 0 N--CA 1.458 -0.608 0 C-N-CA 121.699 1.599 . . . . 0.0 111.221 175.628 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 90.9 mttt -95.01 -60.02 1.77 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.221 178.846 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 25.3 tp -70.78 -37.24 73.31 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.214 -166.643 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 76.2 t -71.88 -38.94 66.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.267 -178.837 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 94.9 p -68.45 -23.02 64.56 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.213 178.613 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 99.4 m -86.88 -39.49 15.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.197 177.626 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -74.62 -20.07 16.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.203 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 89.0 mt -108.38 20.82 18.14 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.221 174.861 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 58.8 p -75.08 159.97 31.05 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.212 177.345 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 99.4 m-20 -65.11 -41.54 94.83 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.229 177.818 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 87.9 tt0 -68.51 -44.66 74.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.188 -177.625 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 68.5 t80 -61.82 -51.01 69.99 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.234 179.693 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 80.7 m -68.73 -29.24 67.62 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.205 -176.065 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 66.9 tt0 -54.61 -45.42 73.65 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.154 177.901 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 94.0 mt-10 -88.22 -27.89 21.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.215 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 42.4 tp -48.88 -48.79 41.89 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.187 177.883 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 8.3 tp -69.26 -20.05 24.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.216 179.838 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 65.2 mt-30 -90.29 -4.99 56.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.185 178.512 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 38.4 m-85 -99.67 -4.31 31.13 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.19 171.539 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 97.76 11.88 48.96 Favored Glycine 0 CA--C 1.523 0.592 0 N-CA-C 111.15 -0.78 . . . . 0.0 111.15 172.719 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 74.6 m-85 -93.16 125.84 37.96 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.82 0.343 . . . . 0.0 111.249 -177.763 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 35.8 m -125.13 -11.66 5.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.174 -175.148 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 82.4 mtt85 -122.97 142.46 50.81 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.201 177.596 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 61.9 tp -141.19 114.91 8.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.234 178.904 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 90.5 mt -103.8 125.02 58.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.248 -177.121 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 41.4 mm -110.61 116.91 53.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.222 -177.068 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 50.9 tt0 -91.73 102.06 14.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.274 179.536 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' PHE . . . . . 0.459 ' HA ' ' CE2' ' A' ' 18' ' ' PHE . 78.1 m-85 -84.22 148.8 26.53 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.173 178.112 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -84.84 -165.07 39.36 Favored Glycine 0 CA--C 1.524 0.61 0 N-CA-C 111.156 -0.778 . . . . 0.0 111.156 -174.99 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -79.06 -20.95 47.56 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.739 0.304 . . . . 0.0 111.206 -176.845 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 73.3 m-80 -102.1 8.41 40.77 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.203 179.106 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 97.0 m-85 -129.04 141.39 51.25 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.204 -177.801 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 84.8 p -109.42 163.68 13.19 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.187 179.518 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 19.5 p -85.08 62.0 7.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.137 179.514 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 53.1 mt-10 -112.57 118.93 36.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.193 -179.371 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 93.6 m-85 -109.95 15.22 22.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.163 177.578 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -60.41 -30.03 69.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.248 -176.236 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 86.4 t60 -61.41 -40.52 94.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.16 175.719 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 93.6 mt -88.04 -7.78 56.52 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.224 -172.959 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 55.8 t -60.61 -30.09 46.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.16 171.886 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 98.7 mm-40 -106.58 -30.0 9.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.193 178.335 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 75.1 mm-40 -89.13 -9.76 49.79 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.151 -175.03 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 90.7 mmt-85 -128.29 -42.47 1.51 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.215 173.375 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 109.23 19.33 8.53 Favored Glycine 0 CA--C 1.523 0.56 0 N-CA-C 111.208 -0.757 . . . . 0.0 111.208 173.196 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -87.86 174.35 44.22 Favored Glycine 0 CA--C 1.523 0.533 0 N-CA-C 111.234 -0.746 . . . . 0.0 111.234 -179.113 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 96.3 mm-40 -110.05 159.94 16.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.831 0.348 . . . . 0.0 111.217 175.973 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 79.0 ttt-85 -135.42 125.22 25.5 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.21 -174.422 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -146.67 139.86 25.55 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.218 176.515 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 95.6 p -74.66 159.01 32.63 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.24 -172.194 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 54.1 mm-40 -140.02 121.6 15.22 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.185 177.339 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -107.7 99.0 8.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.205 174.982 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.402 ' HB ' ' HB3' ' A' ' 77' ' ' CYS . 80.3 mt -114.83 134.31 22.46 Favored Pre-proline 0 C--N 1.328 -0.363 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.221 -164.627 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 56.8 Cg_endo -72.81 167.64 26.7 Favored 'Trans proline' 0 N--CA 1.458 -0.603 0 C-N-CA 121.719 1.612 . . . . 0.0 111.248 -176.366 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 50.9 pt -102.92 -7.19 9.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.16 178.627 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 67.4 m-20 -95.06 -29.46 14.58 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.142 -177.038 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 99.6 mm-40 -100.67 -30.03 11.97 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.199 -177.702 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 82.4 m-85 -124.87 -58.95 1.45 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.161 -176.403 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 113.03 42.59 0.91 Allowed Glycine 0 CA--C 1.524 0.649 0 N-CA-C 111.151 -0.78 . . . . 0.0 111.151 -179.088 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 77' ' ' CYS . . . . . 0.402 ' HB3' ' HB ' ' A' ' 70' ' ' ILE . 10.9 t -136.16 179.98 6.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.771 0.319 . . . . 0.0 111.194 -177.057 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -110.19 -159.85 17.6 Favored Glycine 0 CA--C 1.523 0.552 0 N-CA-C 111.202 -0.759 . . . . 0.0 111.202 -172.804 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 58.9 p-10 -114.13 5.36 15.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.814 0.34 . . . . 0.0 111.241 -178.859 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 59.7 p -93.89 -2.38 53.44 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.111 172.943 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -58.66 129.45 42.14 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.265 177.27 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 90.0 mmt-85 -128.79 120.72 26.88 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.181 176.914 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 67.0 tt0 -81.51 126.91 32.25 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.241 -176.467 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 84' ' ' TYR . . . . . 0.433 ' HB3' ' HB ' ' A' ' 93' ' ' VAL . 68.9 t80 -125.63 128.71 48.3 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.178 177.04 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 84.3 t -98.55 123.44 51.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.219 -166.68 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 93.4 mt -130.0 162.81 27.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.291 170.618 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 88.3 mmm 61.58 30.01 18.49 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.177 176.202 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 96.5 m-20 65.05 34.41 8.82 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.143 177.222 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 95.36 -3.46 66.21 Favored Glycine 0 CA--C 1.522 0.517 0 N-CA-C 111.183 -0.767 . . . . 0.0 111.183 175.781 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -80.79 -20.82 41.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.767 0.318 . . . . 0.0 111.228 -179.477 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 63.5 tp -116.91 109.94 17.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.208 173.659 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -93.42 109.95 21.51 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.229 177.186 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 93' ' ' VAL . . . . . 0.433 ' HB ' ' HB3' ' A' ' 84' ' ' TYR . 62.2 t -99.65 119.11 47.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.223 -179.715 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 75.3 mt -112.51 105.98 19.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.168 -178.557 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -93.91 142.49 16.03 Favored Glycine 0 CA--C 1.523 0.559 0 N-CA-C 111.164 -0.774 . . . . 0.0 111.164 175.658 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 27.5 p90 -148.37 161.55 41.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.854 0.359 . . . . 0.0 111.211 178.738 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 97' ' ' ASP . . . . . 0.649 ' O ' ' C ' ' A' ' 98' ' ' PHE . 64.9 t0 -100.04 106.3 18.04 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.263 -179.89 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 98' ' ' PHE . . . . . 0.649 ' C ' ' O ' ' A' ' 97' ' ' ASP . 82.9 t80 -5.09 99.17 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.149 -175.421 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 66.4 m -120.72 148.45 43.93 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.148 177.144 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 81.0 p -82.95 -18.8 38.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.157 171.638 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -71.05 -39.88 71.99 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.204 174.186 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 25.9 ttt -90.02 83.84 6.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.214 176.948 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 87.5 mm-40 -134.45 -35.04 0.92 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.239 175.749 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 47.5 t -70.1 -49.37 51.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.169 -178.913 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 16.9 tt -60.61 -27.22 40.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.228 -176.995 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 96.7 mt -71.19 -49.71 46.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.157 176.041 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 107' ' ' ARG . . . . . 0.419 ' HG2' ' HG ' ' A' ' 128' ' ' LEU . 96.6 mtt180 -64.97 -29.94 70.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.185 175.949 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 99.4 m-20 -75.76 -37.13 59.57 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.151 -175.013 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 109' ' ' TYR . . . . . . . . . . . . . 14.2 m-30 -100.0 -50.04 4.12 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.177 -172.533 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 110' ' ' SER . . . . . 0.434 ' HA ' ' HB3' ' A' ' 7' ' ' ALA . 48.2 t -64.99 134.26 53.51 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.224 -171.541 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 54.3 p-10 -130.0 0.98 4.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.128 178.171 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 67.4 tp -147.29 124.95 11.78 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.179 167.719 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 58.2 t -104.61 132.27 51.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.225 -173.427 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 114' ' ' ILE . . . . . 0.439 HG12 ' HB ' ' A' ' 133' ' ' ILE . 82.1 mt -120.77 128.73 76.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.194 176.812 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 91.3 p -143.97 155.0 43.87 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.175 -178.256 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 84.0 t60 -83.76 147.53 27.55 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.158 169.958 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -69.86 84.93 0.49 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.236 -177.318 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -133.36 173.18 21.22 Favored Glycine 0 CA--C 1.523 0.539 0 N-CA-C 111.271 -0.732 . . . . 0.0 111.271 174.648 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 96.8 m -62.97 -57.73 9.75 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.727 0.299 . . . . 0.0 111.223 -177.071 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -85.03 -25.02 42.2 Favored Glycine 0 CA--C 1.523 0.56 0 N-CA-C 111.207 -0.757 . . . . 0.0 111.207 -178.773 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 73.2 m -64.91 -49.57 69.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.769 0.319 . . . . 0.0 111.15 -178.285 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 122' ' ' ILE . . . . . . . . . . . . . 94.7 mt -64.75 -45.83 93.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.212 176.094 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 36.2 tp -61.54 -38.09 86.17 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.244 -175.969 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 93.6 m-20 -70.16 -34.99 73.71 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.191 177.381 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 97.4 p -76.86 -13.66 59.97 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.198 178.11 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 91.5 mt -92.14 10.02 31.09 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.192 173.928 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 76.1 mtp85 -74.38 -14.76 60.91 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.155 171.078 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 128' ' ' LEU . . . . . 0.419 ' HG ' ' HG2' ' A' ' 107' ' ' ARG . 8.3 mp -108.42 155.11 20.94 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.192 172.82 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 11.4 m120 -93.57 8.06 42.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.177 177.231 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 30.2 mmtp -80.96 152.28 71.46 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.212 -178.933 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_exo -50.6 148.1 16.22 Favored 'Trans proline' 0 N--CA 1.459 -0.55 0 C-N-CA 121.731 1.621 . . . . 0.0 111.164 178.461 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 132' ' ' LEU . . . . . 0.474 ' O ' ' HA ' ' A' ' 158' ' ' VAL . 56.7 tp -125.04 125.58 44.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.233 -166.47 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 133' ' ' ILE . . . . . 0.439 ' HB ' HG12 ' A' ' 114' ' ' ILE . 91.7 mt -95.3 124.52 47.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.18 166.815 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 89.5 t -115.49 120.59 65.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.234 -179.762 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 135' ' ' CYS . . . . . 0.535 ' SG ' ' HA ' ' A' ' 163' ' ' PRO . 46.6 t -87.24 110.72 20.38 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.174 171.508 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 27.5 m -63.37 159.76 3.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.144 -168.052 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.16 -175.605 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.777 0.322 . . . . 0.0 111.191 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 95.5 m-20 -69.93 -31.09 68.66 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.207 175.354 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 151' ' ' LYS . . . . . . . . . . . . . 65.5 mmtt -78.58 -30.08 46.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.198 179.63 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 152' ' ' PHE . . . . . . . . . . . . . 13.4 m-30 -55.83 -43.84 77.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.224 175.481 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 153' ' ' VAL . . . . . . . . . . . . . 96.2 t -88.05 -40.21 13.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.237 -177.35 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 42.8 tt0 -53.94 -46.99 71.7 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.17 176.911 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 155' ' ' LEU . . . . . . . . . . . . . 91.2 mt -65.19 -36.83 85.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.208 173.315 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . 79.73 36.65 25.21 Favored Glycine 0 CA--C 1.523 0.581 0 N-CA-C 111.15 -0.78 . . . . 0.0 111.15 175.319 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 157' ' ' TYR . . . . . . . . . . . . . 22.3 m-85 -126.02 -25.0 3.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.799 0.333 . . . . 0.0 111.215 179.467 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 158' ' ' VAL . . . . . 0.474 ' HA ' ' O ' ' A' ' 132' ' ' LEU . 64.4 t -123.3 140.03 48.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.191 -166.051 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 159' ' ' TRP . . . . . . . . . . . . . 31.3 m-90 -97.69 144.99 26.77 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.205 171.188 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 160' ' ' SER . . . . . . . . . . . . . 41.7 t -105.38 115.33 30.07 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.165 179.56 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 161' ' ' CYS . . . . . . . . . . . . . 71.7 m -117.97 159.22 23.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.151 179.858 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -85.47 155.74 59.53 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.181 -179.648 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 163' ' ' PRO . . . . . 0.535 ' HA ' ' SG ' ' A' ' 135' ' ' CYS . 93.7 Cg_endo -77.73 68.13 7.75 Favored 'Trans proline' 0 N--CA 1.458 -0.6 0 C-N-CA 121.636 1.557 . . . . 0.0 111.248 -179.405 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 164' ' ' THR . . . . . . . . . . . . . 13.6 t -160.56 178.93 9.02 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.199 175.818 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 165' ' ' GLU . . . . . . . . . . . . . 89.2 tt0 -64.97 -43.93 91.0 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.202 -174.652 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 166' ' ' THR . . . . . . . . . . . . . 80.4 p -73.62 -20.07 60.69 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.166 -177.344 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 167' ' ' GLY . . . . . . . . . . . . . . . -71.34 -43.22 55.19 Favored Glycine 0 CA--C 1.523 0.582 0 N-CA-C 111.309 -0.717 . . . . 0.0 111.309 174.854 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 168' ' ' LEU . . . . . . . . . . . . . 69.2 tp -60.38 -46.96 88.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.761 0.315 . . . . 0.0 111.214 172.901 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 97.8 mt -60.78 -39.94 83.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.216 175.954 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 170' ' ' ALA . . . . . . . . . . . . . . . -71.43 -16.24 62.38 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.218 -178.738 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 171' ' ' GLY . . . . . . . . . . . . . . . -62.33 -47.95 85.9 Favored Glycine 0 CA--C 1.523 0.568 0 N-CA-C 111.231 -0.748 . . . . 0.0 111.231 176.873 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 93.1 mt -70.16 -33.54 71.89 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.777 0.323 . . . . 0.0 111.22 176.456 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 173' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -65.2 -34.45 78.4 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.238 174.051 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -70.84 -41.38 71.57 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.266 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 87.2 p -68.46 -29.87 68.61 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.191 176.355 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 176' ' ' GLN . . . . . . . . . . . . . 71.1 tp60 -71.08 -40.54 71.52 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.168 175.555 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 177' ' ' THR . . . . . . . . . . . . . 89.0 m -70.49 -44.71 67.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.213 179.084 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 178' ' ' GLU . . . . . . . . . . . . . 89.2 tt0 -142.73 109.98 5.65 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.222 -178.047 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 179' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -80.23 140.78 36.1 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.216 179.228 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 180' ' ' LEU . . . . . . . . . . . . . 94.4 mt . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.23 -177.862 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 93.7 mt-10 . . . . . 0 N--CA 1.458 -0.07 0 CA-C-O 120.789 0.328 . . . . 0.0 111.2 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 85.9 mttt -94.62 154.92 17.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.238 168.713 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -128.39 137.63 51.97 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.14 -172.829 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 65.4 mt -103.01 147.6 26.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.234 170.365 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 1.6 t80 -120.02 93.0 3.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.209 172.794 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.404 HG22 ' HB ' ' A' ' 114' ' ' ILE . 64.4 t -94.0 115.32 32.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.159 -179.341 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 52.3 m -107.43 126.02 51.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.148 177.691 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 60.3 m -107.04 162.92 13.42 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.129 177.338 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -85.04 -171.63 48.44 Favored Glycine 0 CA--C 1.523 0.538 0 N-CA-C 111.267 -0.733 . . . . 0.0 111.267 -178.248 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -107.66 18.62 21.2 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.755 0.312 . . . . 0.0 111.192 179.507 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 40.4 p -124.99 -69.54 0.79 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.219 -174.359 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 82.4 t -58.64 130.16 85.09 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.144 -175.668 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 76.0 Cg_exo -51.17 130.49 32.32 Favored 'Trans proline' 0 N--CA 1.458 -0.596 0 C-N-CA 121.734 1.623 . . . . 0.0 111.125 178.456 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' PHE . . . . . 0.638 ' N ' ' CD ' ' A' ' 19' ' ' PRO . 10.8 m-30 -70.11 -35.98 5.68 Favored Pre-proline 0 C--N 1.33 -0.259 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.193 176.834 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' PRO . . . . . 0.638 ' CD ' ' N ' ' A' ' 18' ' ' PHE . 72.0 Cg_exo -53.86 -16.83 9.36 Favored 'Trans proline' 0 N--CA 1.458 -0.583 0 C-N-CA 121.695 1.597 . . . . 0.0 111.206 175.138 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -94.46 -31.55 13.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.218 173.932 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 94.5 mt -95.97 -62.64 1.25 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.288 -171.721 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 5.7 m -79.29 -15.92 13.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.184 -169.013 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 82.9 p -60.97 -28.98 69.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.166 174.485 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 71.8 m -87.97 -30.08 20.29 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.155 175.673 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 78.5 t -65.31 -26.6 39.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.211 171.564 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 86.2 mt -104.99 27.27 8.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.2 175.805 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 4.9 t -65.45 147.56 53.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.219 179.748 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 68.6 m-20 -68.55 -22.05 64.51 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.165 175.971 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -93.03 -35.39 13.28 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.24 178.551 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 91.5 t80 -58.53 -49.69 76.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.209 173.453 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 96.6 m -64.91 -33.01 75.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.198 -176.038 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 65.7 tt0 -63.16 -58.03 8.58 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.226 176.71 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 69.6 mm-40 -62.49 -33.65 75.3 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.173 177.615 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 37.8 tp -57.25 -48.35 79.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.183 179.308 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 94.0 mt -60.93 -38.42 79.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.196 176.527 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 99.5 mm-40 -66.94 -19.75 65.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.253 178.892 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 23.2 m-30 -87.32 -10.43 52.27 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.215 178.401 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 99.33 6.04 55.55 Favored Glycine 0 CA--C 1.523 0.577 0 N-CA-C 111.15 -0.78 . . . . 0.0 111.15 179.446 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 72.3 m-85 -98.15 123.8 42.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.863 0.363 . . . . 0.0 111.15 -176.258 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 35.7 m -132.89 -6.82 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.17 -178.858 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 94.5 mtt-85 -110.08 98.88 8.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.181 177.134 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 58.0 tp -101.12 106.84 18.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.228 -176.647 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 96.8 mt -96.38 132.26 41.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.181 175.89 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 78.0 mt -128.6 125.27 63.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.203 174.882 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 65.7 tt0 -94.35 120.77 35.09 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.175 178.94 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 42.5 m-85 -75.04 162.06 28.89 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.183 -179.271 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -93.8 178.56 37.9 Favored Glycine 0 CA--C 1.525 0.658 0 N-CA-C 111.144 -0.782 . . . . 0.0 111.144 179.857 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 79.8 ttt180 -68.87 -33.57 74.01 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.777 0.322 . . . . 0.0 111.191 -177.378 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 73.0 m-80 -100.86 17.17 22.86 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.157 -172.385 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 95.5 m-85 -129.62 139.98 51.29 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.211 -177.845 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 97.8 p -78.9 152.73 31.0 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.195 179.648 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 59.2 p -84.96 66.79 9.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.239 -173.028 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 19.8 pt-20 -150.04 145.54 26.45 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.145 -179.368 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 68.2 m-85 -116.45 26.35 9.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.151 169.756 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -51.22 -46.0 62.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.263 -171.726 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 83.5 t60 -63.56 -54.97 27.78 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.172 -176.215 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 90.1 mt -70.6 -38.31 73.98 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.173 -170.775 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 54.9 t -69.22 -44.46 80.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.171 -177.413 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 86.8 mt-30 -64.99 -33.75 76.79 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.218 175.04 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -66.24 -40.06 89.95 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.215 174.825 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 39.5 mmt180 -76.25 -21.38 56.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.202 -179.771 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 94.63 30.97 8.12 Favored Glycine 0 CA--C 1.523 0.574 0 N-CA-C 111.207 -0.757 . . . . 0.0 111.207 175.11 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -95.02 -165.01 35.34 Favored Glycine 0 CA--C 1.523 0.589 0 N-CA-C 111.19 -0.764 . . . . 0.0 111.19 178.955 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 61.4 tp60 -127.48 119.91 27.15 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.724 0.297 . . . . 0.0 111.232 -179.887 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 55.5 ptt85 -75.0 144.98 42.85 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.177 179.757 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 19.6 mm-40 -138.34 82.24 1.9 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.227 175.33 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 26.1 t -64.53 106.36 1.14 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.151 177.435 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 85.3 mm-40 -120.3 179.91 4.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.177 -173.69 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -121.75 90.24 3.27 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.274 179.837 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 28.5 mm -62.76 129.81 93.28 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.201 178.667 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 67.4 Cg_endo -77.6 146.38 24.1 Favored 'Trans proline' 0 N--CA 1.458 -0.588 0 C-N-CA 121.781 1.654 . . . . 0.0 111.192 -175.511 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 96.7 mt -86.84 -40.1 13.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.212 176.676 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 99.4 m-20 -71.69 -39.48 70.19 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.222 -178.317 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 88.8 mt-30 -88.77 -49.94 6.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.178 -172.541 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 74.0 t80 -91.19 -56.0 3.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.233 -177.174 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 119.61 28.25 1.97 Allowed Glycine 0 CA--C 1.523 0.591 0 N-CA-C 111.173 -0.771 . . . . 0.0 111.173 174.772 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 15.7 t -146.55 165.57 29.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.862 0.363 . . . . 0.0 111.158 175.435 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -72.42 171.44 49.28 Favored Glycine 0 CA--C 1.524 0.596 0 N-CA-C 111.23 -0.748 . . . . 0.0 111.23 -174.598 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 58.2 p-10 -94.14 12.01 28.03 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.774 0.321 . . . . 0.0 111.207 -172.382 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 82.6 p -84.56 -13.52 51.54 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.19 174.859 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -66.56 146.09 54.89 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.193 175.999 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 77.9 mtt85 -127.41 149.18 50.2 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.178 -174.831 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 83' ' ' GLN . . . . . 0.431 ' HG2' HG12 ' A' ' 94' ' ' ILE . 79.2 mt-30 -104.73 150.14 25.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.169 178.15 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 97.0 m-85 -142.67 146.29 34.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.225 -179.779 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 99.2 t -113.25 118.62 58.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.214 -176.734 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 94.3 mt -119.73 164.11 16.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.253 175.585 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 88.8 mmm 62.35 29.94 17.34 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.193 173.965 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 96.4 m-20 64.7 34.95 9.24 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.207 174.97 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 98.12 -3.72 60.32 Favored Glycine 0 CA--C 1.523 0.591 0 N-CA-C 111.236 -0.746 . . . . 0.0 111.236 174.579 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -80.55 -25.48 38.58 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.869 0.366 . . . . 0.0 111.251 -177.882 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 62.6 tp -122.84 124.56 43.55 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.26 178.755 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -105.03 114.99 29.52 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.178 177.147 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 58.5 t -110.26 121.36 62.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.175 -177.352 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 94' ' ' ILE . . . . . 0.431 HG12 ' HG2' ' A' ' 83' ' ' GLN . 68.5 mt -124.89 128.86 73.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.224 -179.425 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -111.65 133.28 11.37 Favored Glycine 0 CA--C 1.523 0.562 0 N-CA-C 111.254 -0.738 . . . . 0.0 111.254 -177.95 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 99.0 m-85 -116.36 159.64 21.65 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.736 0.303 . . . . 0.0 111.243 -172.527 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 10.0 t0 -75.0 170.04 16.79 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.229 -175.42 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 89.4 t80 -82.92 118.07 23.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.197 -177.852 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 12.6 t -171.88 138.46 1.06 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.201 176.826 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 81.7 p -80.88 -14.66 57.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.211 174.498 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -84.56 -31.97 24.07 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.18 175.215 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 66.2 mtt -74.69 -44.83 48.16 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.155 179.284 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 103' ' ' GLN . . . . . 0.456 ' HA ' ' HB ' ' A' ' 106' ' ' ILE . 20.6 pt20 -69.92 -19.89 63.37 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.234 -172.711 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 60.6 p -66.8 -20.69 65.99 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.161 177.558 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 95.1 mt -104.17 -38.75 5.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.219 175.332 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 106' ' ' ILE . . . . . 0.456 ' HB ' ' HA ' ' A' ' 103' ' ' GLN . 94.9 mt -56.17 -35.3 41.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.219 177.203 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 107' ' ' ARG . . . . . 0.404 ' HB2' HD11 ' A' ' 128' ' ' LEU . 35.9 ptt180 -62.64 -20.08 64.44 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.136 -178.639 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 97.2 m-20 -77.46 -8.95 58.55 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.176 -178.793 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 109' ' ' TYR . . . . . . . . . . . . . 59.0 m-85 -110.13 40.88 1.84 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.123 179.803 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 87.4 p -143.11 154.99 44.49 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.163 -174.945 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 55.8 m-20 -113.6 -32.77 6.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.169 176.549 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 112' ' ' LEU . . . . . 0.444 HD23 ' C ' ' A' ' 112' ' ' LEU . 10.5 tt -135.38 133.41 38.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.198 177.373 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 95.9 t -104.87 133.12 49.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.205 -170.501 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 114' ' ' ILE . . . . . 0.404 ' HB ' HG22 ' A' ' 10' ' ' VAL . 89.6 mt -124.47 135.21 64.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.261 -177.362 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 36.9 t -123.79 141.54 51.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.199 -178.311 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 97.9 m-70 -107.04 83.8 1.88 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.152 167.846 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . 55.04 53.86 9.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.202 -177.959 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -137.21 150.53 20.71 Favored Glycine 0 CA--C 1.523 0.568 0 N-CA-C 111.219 -0.753 . . . . 0.0 111.219 175.141 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 82.2 p -106.2 -26.95 11.35 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.79 0.328 . . . . 0.0 111.213 -171.07 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -64.88 -39.01 96.23 Favored Glycine 0 CA--C 1.523 0.563 0 N-CA-C 111.19 -0.764 . . . . 0.0 111.19 176.308 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 48.5 t -65.33 -39.53 92.52 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.791 0.329 . . . . 0.0 111.175 176.463 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 122' ' ' ILE . . . . . . . . . . . . . 93.7 mt -60.64 -44.99 98.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.224 176.691 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 56.7 tp -59.18 -43.17 92.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.208 177.301 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 97.6 m-20 -59.47 -45.14 92.5 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.12 177.235 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 22.7 t -60.15 -41.98 93.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.251 -179.812 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 96.2 mt -74.21 -31.57 62.67 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.167 -176.786 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -72.74 -30.09 63.88 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.237 175.932 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 128' ' ' LEU . . . . . 0.404 HD11 ' HB2' ' A' ' 107' ' ' ARG . 96.0 mt -83.79 -17.68 40.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.221 175.285 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 79.0 m-20 65.22 36.06 7.34 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.172 -174.905 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 41.2 mmtm -111.56 159.98 31.17 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.236 -178.104 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 68.4 Cg_exo -57.52 145.23 89.74 Favored 'Trans proline' 0 N--CA 1.458 -0.564 0 C-N-CA 121.724 1.616 . . . . 0.0 111.141 -176.388 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 49.0 tp -120.72 119.7 33.53 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.176 -175.848 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 85.4 mt -120.35 127.66 75.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.233 177.587 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 96.8 t -114.92 126.07 72.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.239 177.524 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 135' ' ' CYS . . . . . . . . . . . . . 53.9 t -119.12 125.29 48.92 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.257 -179.484 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 32.8 m -86.33 171.96 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.22 -170.445 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 18.7 p-10 . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.245 -174.404 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.766 0.317 . . . . 0.0 111.164 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 96.2 m-20 -56.99 -32.2 65.86 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.196 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 151' ' ' LYS . . . . . . . . . . . . . 59.6 mmtt -95.38 -29.94 14.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.176 -175.829 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 152' ' ' PHE . . . . . . . . . . . . . 7.1 m-30 -68.07 -27.56 66.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.145 174.883 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 153' ' ' VAL . . . . . . . . . . . . . 53.5 t -70.72 -39.41 75.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.161 171.198 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 92.5 mt-10 -62.79 -35.26 79.27 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.202 174.763 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 155' ' ' LEU . . . . . . . . . . . . . 84.7 mt -64.98 -49.96 68.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.133 173.289 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . 80.05 19.33 70.11 Favored Glycine 0 CA--C 1.523 0.591 0 N-CA-C 111.176 -0.769 . . . . 0.0 111.176 168.146 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 157' ' ' TYR . . . . . . . . . . . . . 26.2 p90 -140.07 9.59 2.34 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.784 0.326 . . . . 0.0 111.2 176.284 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 158' ' ' VAL . . . . . . . . . . . . . 7.6 p -147.81 135.0 13.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.254 -176.537 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 159' ' ' TRP . . . . . . . . . . . . . 91.7 m95 -98.14 150.12 21.79 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.22 176.719 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 160' ' ' SER . . . . . . . . . . . . . 31.2 t -111.59 126.61 55.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.22 176.904 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 161' ' ' CYS . . . . . 0.421 ' SG ' ' HA3' ' A' ' 171' ' ' GLY . 91.2 m -115.18 145.01 42.82 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.212 177.327 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -75.26 158.43 83.88 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.229 177.669 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 163' ' ' PRO . . . . . . . . . . . . . 88.7 Cg_endo -78.99 61.35 8.13 Favored 'Trans proline' 0 N--CA 1.458 -0.581 0 C-N-CA 121.694 1.596 . . . . 0.0 111.226 -178.971 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 164' ' ' THR . . . . . . . . . . . . . 28.0 p -133.29 -175.36 3.78 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.18 177.278 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 165' ' ' GLU . . . . . . . . . . . . . 89.2 mt-10 -87.59 7.92 27.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.172 173.004 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 166' ' ' THR . . . . . . . . . . . . . 82.0 p -125.55 -19.62 4.94 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.235 -178.75 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 167' ' ' GLY . . . . . . . . . . . . . . . -62.84 -47.73 86.64 Favored Glycine 0 CA--C 1.523 0.541 0 N-CA-C 111.172 -0.771 . . . . 0.0 111.172 -177.767 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 168' ' ' LEU . . . . . . . . . . . . . 25.0 tp -67.26 -32.54 73.61 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.744 0.307 . . . . 0.0 111.206 -179.599 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 96.3 mt -61.08 -44.37 98.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.262 174.24 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 170' ' ' ALA . . . . . . . . . . . . . . . -61.97 -37.69 85.71 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.271 177.993 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 171' ' ' GLY . . . . . 0.421 ' HA3' ' SG ' ' A' ' 161' ' ' CYS . . . -63.97 -41.23 98.71 Favored Glycine 0 CA--C 1.524 0.607 0 N-CA-C 111.162 -0.775 . . . . 0.0 111.162 178.353 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 83.1 mt -63.78 -35.39 80.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.789 0.328 . . . . 0.0 111.187 178.667 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 173' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -70.0 -37.78 75.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.193 173.817 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -64.94 -36.04 83.11 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.2 -178.453 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 52.3 p -64.99 -21.49 66.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.184 179.89 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 176' ' ' GLN . . . . . . . . . . . . . 93.3 mm-40 -100.74 -25.84 13.99 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.239 -178.581 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 177' ' ' THR . . . . . . . . . . . . . 99.4 m -71.95 -46.02 59.01 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.2 179.143 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 178' ' ' GLU . . . . . . . . . . . . . 94.0 mt-10 -127.42 159.9 33.07 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.181 -177.544 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 179' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -94.91 159.85 14.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.167 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 180' ' ' LEU . . . . . . . . . . . . . 96.2 mt . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.223 179.705 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 95.5 mt-10 . . . . . 0 CA--C 1.523 -0.088 0 CA-C-O 120.822 0.344 . . . . 0.0 111.185 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 6' ' ' LYS . . . . . 0.476 ' HB2' ' HA ' ' A' ' 39' ' ' PHE . 97.0 mttt -69.27 148.64 49.49 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.193 174.465 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -114.21 130.1 56.63 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.178 -168.642 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 93.2 mt -89.65 145.36 25.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.164 167.158 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 1.2 t80 -120.1 91.29 3.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.173 171.778 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 85.4 t -97.24 129.74 46.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.166 -174.061 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 47.1 p -117.45 160.01 21.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.236 173.137 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 77.3 m -127.38 154.58 44.82 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.188 -175.878 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -132.59 -158.68 8.98 Favored Glycine 0 CA--C 1.523 0.589 0 N-CA-C 111.198 -0.761 . . . . 0.0 111.198 -179.593 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -94.78 -36.14 11.81 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.768 0.318 . . . . 0.0 111.198 -173.82 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 94.1 m -59.91 -54.79 41.96 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.233 -172.155 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 67.5 t -91.83 128.97 43.86 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.169 177.751 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 83.4 Cg_exo -52.53 137.14 57.87 Favored 'Trans proline' 0 N--CA 1.459 -0.547 0 C-N-CA 121.69 1.593 . . . . 0.0 111.139 -178.807 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' PHE . . . . . 0.553 ' HB3' ' HD3' ' A' ' 19' ' ' PRO . 86.4 t80 -61.87 -44.4 90.28 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.218 -178.311 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' PRO . . . . . 0.553 ' HD3' ' HB3' ' A' ' 18' ' ' PHE . 71.7 Cg_exo -53.55 -39.85 81.14 Favored 'Trans proline' 0 N--CA 1.458 -0.577 0 C-N-CA 121.68 1.587 . . . . 0.0 111.167 178.894 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -72.41 -40.26 67.31 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.182 -179.645 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 80.8 mt -59.33 -42.95 92.65 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.174 179.671 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 72.4 t -75.7 -38.27 37.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.19 -179.818 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 45.7 t -59.65 -39.91 85.95 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.27 179.812 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 60.8 m -68.5 -45.03 73.39 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.167 -176.088 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 33.7 m -73.88 -19.09 17.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.212 -178.144 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 69.7 mt -105.09 15.55 27.38 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.205 176.21 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 54.6 p -73.93 154.22 39.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.183 -178.415 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 99.8 m-20 -65.6 -35.17 80.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.144 178.85 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 78.0 mm-40 -74.3 -42.7 59.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.183 -176.182 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 84.1 t80 -68.35 -47.5 67.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.176 -179.636 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 95.0 m -66.38 -30.37 70.74 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.167 -177.468 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 66.9 tt0 -53.08 -50.23 64.8 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.198 -178.411 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 94.8 mt-10 -85.94 -27.86 24.66 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.252 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.492 ' HG ' ' HB2' ' A' ' 39' ' ' PHE . 47.8 tp -54.93 -45.02 74.75 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.159 -179.224 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 41.5 pt -78.36 -10.67 13.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.222 -177.727 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 65.0 mt-30 -91.04 -19.74 22.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.211 174.823 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 42.5 m-85 -78.7 -25.9 44.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.167 172.024 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 117.78 14.66 6.64 Favored Glycine 0 CA--C 1.523 0.54 0 N-CA-C 111.217 -0.753 . . . . 0.0 111.217 175.775 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.492 ' HB2' ' HG ' ' A' ' 34' ' ' LEU . 71.5 m-85 -93.31 129.77 39.29 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.759 0.314 . . . . 0.0 111.199 -179.678 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.524 HG12 ' O ' ' A' ' 40' ' ' VAL . 70.3 t -136.94 -10.08 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.2 -177.685 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 78.0 mtm180 -115.13 132.43 56.61 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.212 177.018 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 40.5 tp -128.72 109.73 11.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.224 179.506 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 4.5 mp -100.58 117.4 45.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.185 -179.027 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 69.8 mt -116.69 126.0 73.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.173 -174.627 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 12.1 tp-100 -86.91 120.04 27.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.216 176.259 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' PHE . . . . . 0.408 ' CE1' ' HA3' ' A' ' 95' ' ' GLY . 54.0 p90 -159.29 169.35 24.24 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.161 176.245 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -75.7 -176.54 40.11 Favored Glycine 0 CA--C 1.524 0.594 0 N-CA-C 111.194 -0.762 . . . . 0.0 111.194 -171.215 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 79.1 ttt180 -84.96 -70.02 0.61 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.739 0.304 . . . . 0.0 111.267 -174.062 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 72.9 m-80 -112.31 14.65 20.47 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.176 -176.965 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 82.1 m-85 -119.65 -5.05 10.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.17 -176.596 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 13.1 m -136.19 9.95 3.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.225 -176.882 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 75.2 m -72.75 70.01 0.94 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.176 177.699 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 74.7 mm-40 -97.46 3.07 50.92 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.228 179.51 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 65.6 m-85 -75.04 -13.02 60.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.22 -177.134 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 25.2 pt-20 -72.69 -9.63 58.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.177 171.199 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 98.3 m-70 -116.72 -13.76 10.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.213 177.012 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 89.2 mt -112.01 -21.41 11.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.205 -174.026 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 95.6 t -115.39 -52.83 4.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.204 177.513 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 33.4 tt0 -62.15 -43.06 99.67 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.215 -177.939 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 94.5 mt-10 -74.9 -29.34 60.96 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.198 176.44 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 53.8 tpt85 -63.21 -30.91 71.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.215 175.847 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 110.66 17.63 9.04 Favored Glycine 0 CA--C 1.523 0.534 0 N-CA-C 111.203 -0.759 . . . . 0.0 111.203 176.549 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -94.99 -169.14 36.46 Favored Glycine 0 CA--C 1.523 0.577 0 N-CA-C 111.191 -0.763 . . . . 0.0 111.191 179.094 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 96.2 mm-40 -114.97 169.77 8.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.735 0.302 . . . . 0.0 111.184 177.567 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -162.0 144.8 11.7 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.216 -176.606 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 38.0 tt0 -168.77 144.85 3.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.135 -179.723 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 38.0 t -79.51 136.44 36.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.192 176.162 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 91.4 mm-40 -126.88 151.71 48.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.249 -175.168 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -119.06 105.0 10.98 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.178 172.87 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.409 ' HA ' ' HD3' ' A' ' 71' ' ' PRO . 72.3 mt -112.55 132.48 22.18 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.224 -170.099 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 71' ' ' PRO . . . . . 0.409 ' HD3' ' HA ' ' A' ' 70' ' ' ILE . 53.9 Cg_exo -55.07 127.16 25.12 Favored 'Trans proline' 0 N--CA 1.458 -0.61 0 C-N-CA 121.702 1.601 . . . . 0.0 111.191 177.483 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 92.9 mt -70.32 -40.68 78.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.166 175.98 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 99.6 m-20 -69.88 -21.92 63.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.216 -173.094 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 98.8 mm-40 -99.97 -39.85 7.94 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.15 -174.555 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 92.4 m-85 -118.04 -40.22 3.0 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.211 -173.291 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 108.47 -4.96 33.08 Favored Glycine 0 CA--C 1.524 0.621 0 N-CA-C 111.179 -0.769 . . . . 0.0 111.179 179.682 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 79.2 m -87.72 157.43 19.07 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.809 0.337 . . . . 0.0 111.145 173.715 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -95.09 -165.24 35.31 Favored Glycine 0 CA--C 1.523 0.583 0 N-CA-C 111.216 -0.753 . . . . 0.0 111.216 -175.495 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 55.1 p-10 -100.5 10.48 41.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.829 0.347 . . . . 0.0 111.225 -178.958 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 58.7 p -117.99 32.28 6.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.216 175.97 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -72.67 136.78 45.7 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.21 -175.503 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 32.7 mmm-85 -110.02 102.3 11.04 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.263 176.826 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 32.8 tt0 -88.97 134.17 34.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.201 -173.317 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 84' ' ' TYR . . . . . 0.482 ' HB2' ' HB ' ' A' ' 93' ' ' VAL . 40.2 m-85 -132.95 141.41 48.32 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.188 173.721 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 68.8 t -116.95 114.06 44.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.208 -173.473 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 87.2 mt -129.49 172.27 11.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.194 177.924 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 95.6 mmm 60.36 30.11 19.55 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.173 177.916 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 96.4 m-20 64.91 32.08 10.96 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.203 178.532 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 95.05 -2.33 65.91 Favored Glycine 0 CA--C 1.522 0.53 0 N-CA-C 111.218 -0.753 . . . . 0.0 111.218 177.112 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 99.7 mttt -81.28 -16.95 51.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.777 0.322 . . . . 0.0 111.203 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 62.1 tp -118.37 109.28 16.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.175 174.386 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 96.5 mttt -101.18 102.61 13.56 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.249 178.874 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 93' ' ' VAL . . . . . 0.482 ' HB ' ' HB2' ' A' ' 84' ' ' TYR . 60.2 t -97.55 128.45 48.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.177 -175.806 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 71.8 mt -124.52 121.58 61.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.179 177.405 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 95' ' ' GLY . . . . . 0.408 ' HA3' ' CE1' ' A' ' 46' ' ' PHE . . . -100.16 146.97 17.95 Favored Glycine 0 CA--C 1.524 0.622 0 N-CA-C 111.172 -0.771 . . . . 0.0 111.172 -179.039 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 80.3 m-85 -133.25 148.42 51.98 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.825 0.345 . . . . 0.0 111.202 173.457 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 64.4 t0 -111.21 80.44 1.31 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.204 163.283 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 7.9 m-30 -110.08 139.73 44.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.135 -168.549 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 86.8 p -79.52 170.0 17.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.177 165.954 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 97.6 m -47.42 -45.07 25.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.227 -174.618 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -66.19 -32.48 73.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.199 -178.397 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 102' ' ' MET . . . . . 0.407 ' O ' HG12 ' A' ' 105' ' ' ILE . 96.7 mmm -85.73 -12.36 51.3 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.195 -177.789 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 80.4 mt-30 -84.38 -14.9 48.18 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.223 178.726 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 87.2 p -68.25 -19.4 64.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.235 -176.892 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 105' ' ' ILE . . . . . 0.407 HG12 ' O ' ' A' ' 102' ' ' MET . 48.0 pt -94.19 -7.99 9.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.233 -177.476 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 46.3 pt -115.6 0.02 8.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.258 175.131 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 70.5 mtt180 -67.92 -42.51 80.95 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.238 167.825 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 57.4 p-10 -89.43 4.82 47.83 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.223 178.564 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 109' ' ' TYR . . . . . . . . . . . . . 41.5 t80 -101.55 40.0 1.37 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.252 175.128 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 87.3 p -145.78 155.04 42.68 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.148 -171.992 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 55.4 m-20 -120.0 -35.03 3.57 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.215 172.011 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 53.3 tp -131.62 119.93 22.13 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.172 175.764 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 96.9 t -96.39 130.83 44.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.184 -176.425 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 76.2 mt -121.6 102.62 12.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.151 179.279 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 63.0 m -109.92 135.82 50.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.12 -166.052 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 65.8 t-80 -69.98 140.04 52.89 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.205 173.161 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 117' ' ' ALA . . . . . 0.43 ' HA ' HD11 ' A' ' 122' ' ' ILE . . . -54.15 133.43 44.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.197 178.736 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 85.06 37.51 9.96 Favored Glycine 0 CA--C 1.524 0.611 0 N-CA-C 111.161 -0.776 . . . . 0.0 111.161 174.262 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 70.5 p -126.49 169.79 12.67 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.794 0.331 . . . . 0.0 111.217 175.951 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -84.87 -18.99 60.3 Favored Glycine 0 CA--C 1.524 0.6 0 N-CA-C 111.189 -0.764 . . . . 0.0 111.189 175.687 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 85.0 p -65.88 -24.8 66.93 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.77 0.319 . . . . 0.0 111.138 178.744 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 122' ' ' ILE . . . . . 0.43 HD11 ' HA ' ' A' ' 117' ' ' ALA . 83.8 mt -60.01 -40.02 81.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.239 171.539 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 79.4 mt -85.93 -19.08 31.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.188 -177.216 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 80.3 m-20 -67.71 -48.9 65.22 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.224 177.386 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 8.5 t -57.96 -34.2 69.67 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.154 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 97.4 mt -63.19 -43.26 98.7 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.227 174.705 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 89.9 mtm180 -72.91 -21.35 60.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.133 178.339 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 90.9 mt -84.78 -14.58 47.73 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.177 176.692 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 55.5 t30 60.83 36.39 19.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.19 -173.216 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -113.97 148.39 39.84 Favored Pre-proline 0 C--N 1.328 -0.364 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.152 -178.269 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 75.8 Cg_exo -53.17 138.7 63.4 Favored 'Trans proline' 0 N--CA 1.458 -0.576 0 C-N-CA 121.675 1.583 . . . . 0.0 111.174 179.663 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 132' ' ' LEU . . . . . 0.422 ' HB3' HG22 ' A' ' 158' ' ' VAL . 61.2 tp -132.13 120.07 21.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.194 -172.532 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 81.5 mt -97.69 120.11 46.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.195 166.709 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 88.6 t -99.58 113.23 34.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.161 -178.549 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 135' ' ' CYS . . . . . . . . . . . . . 87.5 m -86.3 105.0 16.35 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.163 -179.182 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 34.3 m -100.09 172.66 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.251 -175.66 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 54.6 t-20 . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.213 -178.814 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.853 0.359 . . . . 0.0 111.193 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 87.9 m-20 -56.3 -33.51 65.61 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.16 -176.358 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 151' ' ' LYS . . . . . . . . . . . . . 44.2 mmtt -84.73 -30.0 25.08 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.22 177.644 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 152' ' ' PHE . . . . . . . . . . . . . 6.9 m-30 -69.99 -22.02 63.17 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.192 175.374 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 153' ' ' VAL . . . . . . . . . . . . . 43.5 t -63.33 -30.1 48.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.261 173.863 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -65.71 -21.31 66.52 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.205 176.91 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 155' ' ' LEU . . . . . . . . . . . . . 50.8 mt -75.02 -28.76 60.61 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.138 178.685 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . 109.23 -26.03 16.34 Favored Glycine 0 CA--C 1.522 0.523 0 N-CA-C 111.231 -0.748 . . . . 0.0 111.231 167.522 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 157' ' ' TYR . . . . . . . . . . . . . 37.9 p90 -149.9 24.75 0.84 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.772 0.32 . . . . 0.0 111.211 -171.233 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 158' ' ' VAL . . . . . 0.422 HG22 ' HB3' ' A' ' 132' ' ' LEU . 45.5 t -126.46 129.91 71.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.204 -176.358 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 159' ' ' TRP . . . . . . . . . . . . . 90.8 m95 -130.51 140.36 50.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.207 178.13 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 160' ' ' SER . . . . . . . . . . . . . 28.8 t -104.77 142.06 35.39 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.166 178.706 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 161' ' ' CYS . . . . . . . . . . . . . 29.7 p -164.99 165.06 20.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.182 175.396 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -75.57 137.87 70.7 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.182 170.857 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 163' ' ' PRO . . . . . . . . . . . . . 94.7 Cg_endo -76.4 69.93 6.41 Favored 'Trans proline' 0 N--CA 1.458 -0.597 0 C-N-CA 121.708 1.605 . . . . 0.0 111.223 178.977 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 164' ' ' THR . . . . . . . . . . . . . 24.3 p -120.62 -174.18 2.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.203 179.844 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 165' ' ' GLU . . . . . . . . . . . . . 25.2 pt-20 -70.01 -9.94 56.95 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.216 177.064 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 166' ' ' THR . . . . . . . . . . . . . 74.0 p -114.79 -42.15 3.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.238 -178.519 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 167' ' ' GLY . . . . . . . . . . . . . . . -76.31 -40.66 28.04 Favored Glycine 0 CA--C 1.524 0.594 0 N-CA-C 111.226 -0.75 . . . . 0.0 111.226 -173.999 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 168' ' ' LEU . . . . . . . . . . . . . 62.6 tp -64.03 -50.49 68.24 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.799 0.333 . . . . 0.0 111.203 -178.049 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 10.1 tp -66.55 -29.67 47.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.293 179.684 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 170' ' ' ALA . . . . . . . . . . . . . . . -65.41 -37.23 86.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.175 173.662 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 171' ' ' GLY . . . . . . . . . . . . . . . -65.01 -43.4 95.92 Favored Glycine 0 CA--C 1.523 0.585 0 N-CA-C 111.219 -0.752 . . . . 0.0 111.219 175.063 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 56.8 tp -60.38 -42.83 96.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.79 0.328 . . . . 0.0 111.186 176.434 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 173' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -62.14 -41.21 98.04 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.187 173.92 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -70.74 -25.04 62.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.163 -175.399 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 54.6 p -90.0 -34.3 16.04 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.183 -179.102 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 176' ' ' GLN . . . . . . . . . . . . . 93.7 mm-40 -102.11 -52.28 3.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.197 -171.539 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 177' ' ' THR . . . . . . . . . . . . . 85.4 m -73.99 -45.2 51.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.194 -176.712 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 178' ' ' GLU . . . . . . . . . . . . . 78.5 mm-40 -80.03 134.02 36.19 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.176 175.515 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 179' ' ' LYS . . . . . . . . . . . . . 88.6 tttt -67.11 130.09 42.0 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.208 -175.75 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 180' ' ' LEU . . . . . . . . . . . . . 58.0 mt . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.22 174.518 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 . . . . . 0 CA--C 1.523 -0.094 0 CA-C-O 120.778 0.323 . . . . 0.0 111.249 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 75.3 mmtt -90.43 160.75 15.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.209 -171.283 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -125.73 140.82 52.37 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.243 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 39.4 tp -113.98 119.01 35.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.196 -179.872 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 69.6 t80 -89.87 121.18 31.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.24 177.499 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 73.3 t -120.42 124.65 72.97 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.27 178.66 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' THR . . . . . 0.417 ' HA ' ' HB3' ' A' ' 45' ' ' GLN . 77.1 m -93.6 129.31 39.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.209 174.464 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 80.7 m -115.03 113.71 24.43 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.159 170.275 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -91.26 -177.27 43.31 Favored Glycine 0 CA--C 1.524 0.632 0 N-CA-C 111.2 -0.76 . . . . 0.0 111.2 -171.371 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -85.47 52.84 2.56 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.779 0.323 . . . . 0.0 111.176 -174.348 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 37.5 p -129.96 -83.75 0.55 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.197 176.916 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 95.7 t -71.83 128.75 89.1 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.261 -174.454 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 76.0 Cg_exo -50.1 132.47 33.24 Favored 'Trans proline' 0 N--CA 1.458 -0.589 0 C-N-CA 121.757 1.638 . . . . 0.0 111.201 177.505 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' PHE . . . . . 0.605 ' N ' ' CD ' ' A' ' 19' ' ' PRO . 9.8 m-30 -67.56 -38.7 16.14 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.152 -176.896 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' PRO . . . . . 0.605 ' CD ' ' N ' ' A' ' 18' ' ' PHE . 57.5 Cg_exo -53.4 -22.76 21.97 Favored 'Trans proline' 0 N--CA 1.459 -0.534 0 C-N-CA 121.639 1.559 . . . . 0.0 111.203 174.257 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -97.86 -43.58 7.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.198 174.709 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 67.2 tp -77.46 -59.29 2.84 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.213 -174.483 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 73.7 t -61.63 -32.05 52.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.265 -176.891 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 94.9 p -63.05 -26.58 68.91 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.21 -179.207 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 98.4 m -85.01 -23.55 28.61 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.226 175.66 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 68.8 t -74.15 -29.14 24.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.163 170.673 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 91.7 mt -91.95 -2.38 56.8 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.201 -178.526 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 66.3 p -65.13 157.54 28.36 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.248 -173.209 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 99.6 m-20 -65.43 -39.4 92.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.235 178.141 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -70.46 -39.07 74.5 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.19 -176.268 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 83.5 t80 -59.05 -45.74 90.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.177 176.702 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.402 ' SG ' HD22 ' A' ' 91' ' ' LEU . 74.1 m -85.47 -15.57 42.47 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.147 -176.614 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 65.6 tt0 -61.15 -32.84 72.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.167 172.783 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 78.6 mm-40 -77.21 -37.82 52.62 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.2 174.907 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 78.9 mt -63.5 -37.17 86.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.135 -174.914 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 46.3 pt -71.8 -10.09 13.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.26 179.256 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 64.6 mt-30 -96.12 -5.57 40.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.2 173.585 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 50.4 m-85 -112.36 -6.49 14.03 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.17 175.533 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 89.35 21.85 39.71 Favored Glycine 0 CA--C 1.523 0.549 0 N-CA-C 111.193 -0.763 . . . . 0.0 111.193 175.945 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 34.1 m-85 -97.24 130.93 44.4 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.83 0.347 . . . . 0.0 111.222 179.298 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 87.5 t -124.76 -33.95 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.187 -177.148 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 73.8 mtm-85 -99.94 129.33 46.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.227 -173.509 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 54.6 mt -108.81 138.01 45.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.209 174.792 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 77.3 mt -124.13 106.18 16.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.183 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 92.7 mt -100.42 114.2 38.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.237 -172.14 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' GLN . . . . . 0.417 ' HB3' ' HA ' ' A' ' 11' ' ' THR . 51.2 tt0 -82.27 130.66 35.15 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.207 168.98 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 85.4 m-85 -102.97 120.42 40.6 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.134 -176.685 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -80.78 -168.37 39.08 Favored Glycine 0 CA--C 1.523 0.581 0 N-CA-C 111.247 -0.741 . . . . 0.0 111.247 179.607 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' ARG . . . . . 0.568 ' O ' ' HB2' ' A' ' 49' ' ' ASN . 99.7 mtt180 -82.59 162.69 21.84 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.788 0.327 . . . . 0.0 111.168 -175.133 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 49' ' ' ASN . . . . . 0.568 ' HB2' ' O ' ' A' ' 48' ' ' ARG . 94.9 m-20 76.19 0.32 3.24 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.235 178.817 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 92.9 m-85 -137.24 146.4 44.73 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.252 178.727 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 90.1 p -79.97 159.77 26.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.258 -179.424 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 55.0 m -85.22 55.38 3.47 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.228 178.683 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 75.7 tt0 -160.12 141.66 12.61 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.204 -175.672 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 45.8 p90 -143.09 37.76 1.41 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.228 176.395 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 86.4 tt0 -55.85 -35.54 66.54 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.167 -178.069 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 83.5 t60 -54.16 -46.11 72.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.19 -179.748 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 94.6 mt -65.57 -37.23 86.08 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.179 -175.876 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 56.1 t -72.97 -36.69 52.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.219 178.7 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 72.7 tp60 -64.94 -36.93 85.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.228 175.589 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 75.4 mm-40 -71.07 -33.08 69.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.229 176.038 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 51.7 tpt85 -75.17 -24.99 57.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.208 176.27 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 90.11 28.51 17.58 Favored Glycine 0 CA--C 1.524 0.625 0 N-CA-C 111.125 -0.79 . . . . 0.0 111.125 175.7 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -98.25 -167.16 31.44 Favored Glycine 0 CA--C 1.523 0.576 0 N-CA-C 111.173 -0.771 . . . . 0.0 111.173 -179.343 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 95.2 mm-40 -120.01 179.16 4.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.76 0.314 . . . . 0.0 111.206 179.007 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -167.7 141.31 3.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.251 -178.663 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -146.34 128.37 15.55 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.181 178.111 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 66.7 m -69.86 143.11 52.93 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.197 178.807 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 65.4 tt0 -160.08 134.95 7.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.249 -175.701 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -71.87 75.55 0.89 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.154 177.694 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 43.5 mm -62.07 126.5 87.64 Favored Pre-proline 0 C--N 1.328 -0.366 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.231 -177.374 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 79.9 Cg_exo -54.98 130.28 39.9 Favored 'Trans proline' 0 N--CA 1.458 -0.593 0 C-N-CA 121.668 1.579 . . . . 0.0 111.214 -175.916 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 16.0 tt -75.02 -20.01 16.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.197 171.552 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 68.0 m-20 -83.45 -35.56 24.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.203 -177.717 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 64.6 tt0 -86.06 -59.89 2.17 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.187 178.323 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 95.4 m-85 -91.14 -54.9 3.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.187 -176.439 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 119.2 26.69 2.4 Favored Glycine 0 CA--C 1.524 0.6 0 N-CA-C 111.162 -0.775 . . . . 0.0 111.162 -177.495 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 79.6 m -109.87 169.56 8.64 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.792 0.329 . . . . 0.0 111.185 178.805 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -94.89 -166.11 35.81 Favored Glycine 0 CA--C 1.523 0.591 0 N-CA-C 111.185 -0.766 . . . . 0.0 111.185 -177.831 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 58.6 p-10 -91.51 9.57 31.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.815 0.341 . . . . 0.0 111.212 -179.594 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 77.4 p -110.65 10.67 22.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.149 175.209 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -71.06 154.96 41.35 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.233 -175.535 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 82' ' ' ARG . . . . . 0.447 ' HD2' ' CZ ' ' A' ' 84' ' ' TYR . 40.8 ttm180 -137.94 137.74 38.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.221 178.321 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 63.9 tt0 -95.88 116.05 28.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.208 178.39 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 84' ' ' TYR . . . . . 0.447 ' CZ ' ' HD2' ' A' ' 82' ' ' ARG . 96.5 m-85 -97.72 138.24 35.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.132 177.108 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 74.8 t -116.74 107.99 23.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.195 -169.816 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.418 ' HB2' HD23 ' A' ' 91' ' ' LEU . 95.2 mt -121.86 167.75 12.67 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.242 -177.364 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 96.1 mtp 54.98 34.67 22.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.257 179.74 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 96.3 m-20 63.84 33.53 12.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.211 175.873 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 96.96 -4.07 62.77 Favored Glycine 0 CA--C 1.522 0.508 0 N-CA-C 111.181 -0.768 . . . . 0.0 111.181 175.58 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -80.14 -19.07 48.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.763 0.316 . . . . 0.0 111.205 -179.592 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.418 HD23 ' HB2' ' A' ' 86' ' ' LEU . 57.2 tp -121.27 121.76 38.42 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.167 177.082 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -114.5 108.44 16.86 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.178 -179.236 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 44.3 t -111.47 120.51 62.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.193 -174.109 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 87.3 mt -101.38 123.12 54.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.196 -176.75 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -106.25 147.75 16.3 Favored Glycine 0 CA--C 1.522 0.512 0 N-CA-C 111.237 -0.745 . . . . 0.0 111.237 171.12 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 29.6 p90 -163.73 172.1 14.66 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.815 0.341 . . . . 0.0 111.202 -170.221 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 14.0 m-20 -96.6 86.47 4.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.197 175.377 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 71.5 t80 -49.07 126.5 12.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.214 -178.498 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 56.0 m -130.0 169.63 15.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.239 -175.328 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 99.8 m -53.84 -44.96 70.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.211 -178.006 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -63.37 -32.85 74.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.163 -178.544 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 60.2 mtt -75.21 -24.99 57.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.204 -175.077 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 66.1 tt0 -53.46 -40.48 65.3 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.223 179.826 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 92.0 p -93.15 -2.77 54.99 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.181 -174.765 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 95.6 mt -112.09 -67.86 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.185 -173.943 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 13.5 tt -70.77 -23.42 23.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.224 -168.269 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -72.49 -41.36 66.07 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.19 176.272 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 38.6 t70 -66.91 -36.67 82.79 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.194 173.804 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 109' ' ' TYR . . . . . . . . . . . . . 81.0 t80 -56.09 -42.37 76.64 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.192 178.648 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 60.3 p -70.9 167.17 19.6 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.186 -176.683 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 54.4 m-20 -106.18 -37.69 6.5 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.181 -178.376 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 92.0 mt -112.8 146.46 38.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.212 172.126 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 95.2 t -123.86 122.13 63.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.254 177.42 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 114' ' ' ILE . . . . . 0.42 HG12 ' HB ' ' A' ' 133' ' ' ILE . 77.6 mt -114.2 117.36 55.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.272 175.191 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 60.7 p -91.88 158.3 16.37 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.191 177.081 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 14.6 t-160 -129.6 119.88 24.35 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.231 -177.467 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . 54.82 45.31 26.88 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.223 176.241 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 163.41 -176.27 39.58 Favored Glycine 0 CA--C 1.524 0.637 0 N-CA-C 111.171 -0.772 . . . . 0.0 111.171 178.268 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 45.7 p -126.78 25.09 6.43 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.798 0.332 . . . . 0.0 111.181 179.103 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -64.3 -45.61 93.0 Favored Glycine 0 CA--C 1.524 0.6 0 N-CA-C 111.183 -0.767 . . . . 0.0 111.183 -178.628 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 66.7 m -75.18 -17.51 60.36 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.817 0.342 . . . . 0.0 111.259 177.187 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 122' ' ' ILE . . . . . 0.471 HG13 HG22 ' A' ' 134' ' ' VAL . 48.9 mm -79.12 -41.51 23.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.141 -176.642 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 42.2 tp -63.46 -36.43 83.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.281 178.863 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 94.3 m-20 -70.32 -50.37 39.92 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.179 173.667 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 33.3 t -55.83 -35.43 66.37 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.218 178.704 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 64.2 tp -56.55 -45.75 81.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.29 172.742 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 90.6 mtm180 -74.71 -20.5 59.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.241 178.696 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 94.5 mt -88.47 -8.03 55.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.232 178.638 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 78.9 m-20 64.86 35.09 8.72 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.208 -179.34 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 39.1 mmtm -111.24 149.8 41.09 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.229 177.357 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_exo -56.99 147.38 74.85 Favored 'Trans proline' 0 N--CA 1.458 -0.594 0 C-N-CA 121.71 1.607 . . . . 0.0 111.216 -175.208 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 33.4 mt -111.89 97.51 6.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.177 -167.782 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 133' ' ' ILE . . . . . 0.42 ' HB ' HG12 ' A' ' 114' ' ' ILE . 89.4 mt -101.81 125.61 55.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.215 176.805 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 134' ' ' VAL . . . . . 0.471 HG22 HG13 ' A' ' 122' ' ' ILE . 93.9 t -118.61 106.82 20.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.166 -174.714 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 135' ' ' CYS . . . . . . . . . . . . . 50.5 t -99.91 112.65 24.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.223 178.552 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 46.6 t -140.22 130.81 29.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.179 -179.033 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 11.4 t-20 . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.167 179.994 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.746 0.308 . . . . 0.0 111.201 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 99.8 m-20 -66.13 -34.84 78.97 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.186 172.971 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 151' ' ' LYS . . . . . . . . . . . . . 96.2 mttt -69.96 -36.28 75.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.271 176.804 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 152' ' ' PHE . . . . . . . . . . . . . 19.9 m-30 -59.91 -29.17 68.18 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.172 -178.137 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 153' ' ' VAL . . . . . . . . . . . . . 74.6 t -53.83 -40.06 42.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.22 -177.329 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 95.0 mt-10 -120.0 -4.84 10.08 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.205 -172.475 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 155' ' ' LEU . . . . . . . . . . . . . 52.2 tp -55.45 -53.76 52.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.256 -176.939 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . 105.13 -30.73 9.48 Favored Glycine 0 CA--C 1.524 0.636 0 N-CA-C 111.203 -0.759 . . . . 0.0 111.203 175.54 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 157' ' ' TYR . . . . . . . . . . . . . 28.5 m-85 -87.62 -53.04 5.0 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.782 0.325 . . . . 0.0 111.192 176.942 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 158' ' ' VAL . . . . . . . . . . . . . 50.0 t -108.75 134.91 49.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.197 -178.934 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 159' ' ' TRP . . . . . . . . . . . . . 13.4 m-90 -118.87 132.34 56.1 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.16 -178.382 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 160' ' ' SER . . . . . . . . . . . . . 30.6 t -85.81 126.58 34.13 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.218 178.574 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 161' ' ' CYS . . . . . . . . . . . . . 34.0 m -133.34 170.19 15.83 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.197 179.738 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -119.58 149.0 47.16 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.234 178.673 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 163' ' ' PRO . . . . . . . . . . . . . 86.3 Cg_endo -78.52 62.85 8.35 Favored 'Trans proline' 0 N--CA 1.458 -0.601 0 C-N-CA 121.719 1.613 . . . . 0.0 111.208 -179.498 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 164' ' ' THR . . . . . . . . . . . . . 10.6 p -133.89 -179.99 5.89 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.223 179.149 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 165' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -64.37 -17.23 63.54 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.146 177.798 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 166' ' ' THR . . . . . . . . . . . . . 74.9 p -114.63 -32.11 5.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.158 -171.321 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 167' ' ' GLY . . . . . . . . . . . . . . . -72.92 -38.13 56.3 Favored Glycine 0 CA--C 1.524 0.619 0 N-CA-C 111.181 -0.767 . . . . 0.0 111.181 -179.273 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 168' ' ' LEU . . . . . . . . . . . . . 91.5 mt -65.57 -36.54 84.07 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.78 0.324 . . . . 0.0 111.179 178.187 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 94.6 mt -71.62 -39.71 70.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.186 173.703 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 170' ' ' ALA . . . . . . . . . . . . . . . -57.26 -34.89 69.08 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.192 178.808 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 171' ' ' GLY . . . . . . . . . . . . . . . -63.35 -43.19 98.73 Favored Glycine 0 CA--C 1.523 0.567 0 N-CA-C 111.201 -0.76 . . . . 0.0 111.201 178.167 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 97.7 mt -64.88 -37.78 88.77 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.807 0.336 . . . . 0.0 111.172 177.855 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 173' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -78.82 -27.35 44.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.219 -179.658 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -65.63 -34.82 79.12 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.24 -179.798 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 59.7 p -64.98 -24.95 67.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.178 177.485 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 176' ' ' GLN . . . . . . . . . . . . . 66.5 tt0 -85.77 -41.9 14.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.221 178.254 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 177' ' ' THR . . . . . . . . . . . . . 89.1 m -65.89 -58.44 5.57 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.288 -177.955 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 178' ' ' GLU . . . . . . . . . . . . . 76.1 mm-40 -110.06 89.94 3.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.148 176.022 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 179' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -71.84 148.8 45.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.231 -172.237 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 180' ' ' LEU . . . . . 0.484 ' C ' HD23 ' A' ' 180' ' ' LEU . 8.2 tt . . . . . 0 C--N 1.328 -0.361 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.203 177.358 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 72.5 mm-40 . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.775 0.322 . . . . 0.0 111.218 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 36.4 tptt -50.26 109.83 0.34 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.171 -177.651 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -116.99 126.05 52.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.209 -171.577 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 52.9 tp -99.36 121.84 41.67 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.169 172.81 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 73.6 t80 -99.63 120.06 39.08 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.164 177.753 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 88.7 t -113.62 127.91 70.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.243 178.002 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 10.1 t -138.57 146.56 41.97 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.187 177.68 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 68.7 m -104.81 155.46 18.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.196 178.885 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -79.29 -177.62 50.19 Favored Glycine 0 CA--C 1.523 0.574 0 N-CA-C 111.258 -0.737 . . . . 0.0 111.258 -179.689 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -89.68 -4.67 57.64 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.799 0.333 . . . . 0.0 111.207 -176.22 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 71.8 p -112.12 5.0 18.32 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.174 -177.136 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 27.1 m -125.3 155.65 71.16 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.236 179.697 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 55.3 Cg_endo -69.46 138.43 38.76 Favored 'Trans proline' 0 N--CA 1.457 -0.641 0 C-N-CA 121.753 1.635 . . . . 0.0 111.251 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' PHE . . . . . 0.495 ' HB2' ' HD3' ' A' ' 19' ' ' PRO . 29.6 m-85 -80.88 -57.18 0.6 Allowed Pre-proline 0 C--N 1.328 -0.334 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.17 -175.577 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' PRO . . . . . 0.495 ' HD3' ' HB2' ' A' ' 18' ' ' PHE . 37.7 Cg_endo -70.0 -24.98 27.97 Favored 'Trans proline' 0 N--CA 1.458 -0.579 0 C-N-CA 121.688 1.592 . . . . 0.0 111.212 -171.514 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -74.17 -30.86 62.45 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.153 179.197 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 96.9 mt -86.42 -19.73 29.22 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.173 177.394 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 46.5 t -66.58 -40.0 85.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.173 170.365 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 57.0 p -65.93 -20.02 66.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.242 -178.311 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 90.9 m -86.34 -14.91 42.16 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.21 -176.809 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 30.5 m -114.16 -2.93 10.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.233 -178.78 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 84.1 mt -103.71 11.99 35.26 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.17 170.526 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 4.1 t -60.68 144.09 52.81 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.144 175.035 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 87.9 m-20 -60.17 -39.29 85.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.165 175.867 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -76.95 -36.71 56.32 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.205 -178.879 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 55.7 t80 -57.0 -50.16 73.56 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.239 174.383 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 90.3 m -75.21 -30.07 60.51 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.185 -176.753 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 66.5 tt0 -56.67 -50.83 70.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.221 174.132 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -76.76 -29.11 55.98 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.14 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.402 ' HG ' ' HB2' ' A' ' 39' ' ' PHE . 45.2 tp -53.0 -44.28 67.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.213 173.73 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 97.5 mt -60.75 -40.02 83.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.181 172.462 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 88.6 mt-30 -70.26 -16.15 63.0 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.218 -178.757 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 27.6 m-85 -95.88 1.7 53.19 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.171 176.443 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 93.86 10.2 59.03 Favored Glycine 0 CA--C 1.523 0.584 0 N-CA-C 111.17 -0.772 . . . . 0.0 111.17 168.217 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.402 ' HB2' ' HG ' ' A' ' 34' ' ' LEU . 84.2 m-85 -94.23 134.15 37.0 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.785 0.326 . . . . 0.0 111.269 -178.268 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 35.1 m -126.62 -16.12 3.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.164 -176.034 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 11.6 mpt_? -112.87 128.59 56.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.212 171.134 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 63.7 tp -119.15 105.01 10.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.218 175.773 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 91.8 mt -106.14 116.92 50.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.207 -177.637 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 80.6 mt -119.01 121.41 66.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.255 -174.023 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 19.6 tm0? -94.03 138.4 32.16 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.186 178.229 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 44.9 p90 -142.81 155.06 44.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.217 176.757 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -58.8 -61.86 6.9 Favored Glycine 0 CA--C 1.523 0.57 0 N-CA-C 111.271 -0.732 . . . . 0.0 111.271 -168.259 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 40.1 ptt180 -167.98 140.72 3.14 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.81 0.338 . . . . 0.0 111.22 -179.088 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 95.3 m-20 55.32 38.24 30.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.209 166.973 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 52.0 m-85 -113.67 18.06 17.76 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.094 171.782 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 76.9 p -75.91 -14.13 60.26 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.238 178.908 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 90.8 p -64.96 -25.76 68.01 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.17 177.377 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 77.2 mm-40 -69.17 -29.97 68.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.179 174.187 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 49.1 m-85 -78.92 -32.21 45.54 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.192 176.649 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -66.82 -39.19 87.62 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.159 173.636 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 65.0 m170 -60.01 -43.4 95.25 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.212 174.4 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 39.6 tp -56.7 -60.42 3.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.203 175.218 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 5.2 p -69.02 -26.58 32.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.258 -169.212 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 71.9 tp60 -71.67 -45.91 60.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.167 178.848 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -71.77 -34.83 69.78 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.183 -178.562 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 11.9 mpt_? -80.04 -27.45 39.42 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.144 -179.627 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 85.02 43.15 6.81 Favored Glycine 0 CA--C 1.523 0.565 0 N-CA-C 111.236 -0.746 . . . . 0.0 111.236 175.25 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -103.62 -164.98 25.28 Favored Glycine 0 CA--C 1.524 0.623 0 N-CA-C 111.171 -0.771 . . . . 0.0 111.171 -179.099 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 97.1 mm-40 -110.6 161.96 15.2 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.859 0.361 . . . . 0.0 111.171 176.821 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 32.9 ptt-85 -149.76 150.01 31.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.228 -178.501 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 37.3 tt0 -167.73 137.2 2.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.173 175.177 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 32.9 t -90.98 130.63 36.88 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.241 175.618 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 86.6 mt-30 -130.46 142.25 50.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.222 -179.272 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -71.61 129.94 39.96 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.224 177.831 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 49.3 mm -83.07 123.81 77.14 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.241 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 71' ' ' PRO . . . . . 0.405 ' HB2' ' HB3' ' A' ' 74' ' ' GLN . 74.3 Cg_exo -55.44 130.04 38.4 Favored 'Trans proline' 0 N--CA 1.458 -0.601 0 C-N-CA 121.692 1.595 . . . . 0.0 111.147 -179.561 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 96.8 mt -75.74 -39.14 38.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.221 174.02 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 99.4 m-20 -62.73 -40.34 96.89 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.193 -178.913 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 74' ' ' GLN . . . . . 0.405 ' HB3' ' HB2' ' A' ' 71' ' ' PRO . 64.2 tt0 -85.04 -57.68 3.0 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.246 -178.072 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 77.1 m-85 -89.99 -59.16 2.27 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.187 -175.925 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 120.73 -21.11 8.56 Favored Glycine 0 CA--C 1.524 0.6 0 N-CA-C 111.141 -0.784 . . . . 0.0 111.141 -178.218 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 98.5 m -75.27 142.42 43.33 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.801 0.334 . . . . 0.0 111.229 176.479 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -108.15 5.05 33.77 Favored Glycine 0 CA--C 1.523 0.575 0 N-CA-C 111.186 -0.766 . . . . 0.0 111.186 -173.607 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 44.0 p30 -88.79 -174.68 4.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.788 0.328 . . . . 0.0 111.194 -176.86 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 69.6 p -123.56 74.13 1.24 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.266 -177.745 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -57.01 144.92 32.2 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.205 -174.775 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 77.5 mtp180 -98.73 122.86 42.49 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.193 -174.311 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 28.5 tt0 -90.07 129.98 36.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.143 179.009 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 86.2 m-85 -125.09 142.35 51.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.148 173.964 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 89.3 t -92.92 124.91 45.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.242 177.305 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 31.1 tp -136.68 145.34 44.64 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.153 -176.525 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 82.4 mmm 69.98 32.23 3.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.233 -179.138 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 96.2 m-20 64.98 28.43 12.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.221 177.981 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 89.57 9.53 66.51 Favored Glycine 0 CA--C 1.523 0.556 0 N-CA-C 111.183 -0.767 . . . . 0.0 111.183 175.29 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -72.56 -24.97 61.19 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.834 0.349 . . . . 0.0 111.204 177.535 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.493 HD12 ' C ' ' A' ' 91' ' ' LEU . 4.7 pp -149.03 160.42 43.34 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.186 171.527 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 83.5 mttt -106.29 144.74 32.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.145 177.486 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 80.5 t -115.55 114.93 47.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.128 174.616 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 31.8 mm -110.78 111.99 38.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.261 -175.791 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -88.81 128.92 9.37 Favored Glycine 0 CA--C 1.524 0.6 0 N-CA-C 111.166 -0.773 . . . . 0.0 111.166 179.224 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 25.9 m-85 -112.24 122.88 48.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.822 0.344 . . . . 0.0 111.182 177.048 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 43.5 t0 -103.79 94.91 5.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.239 177.136 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 37.7 p90 -167.03 179.88 4.98 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.194 175.06 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 93.5 p -84.99 -128.15 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.22 -174.763 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 80.9 p -111.88 1.3 16.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.196 -177.9 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -71.82 -33.27 68.37 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.174 -170.347 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 72.0 mtm -116.33 16.17 15.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.215 -168.891 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 77.7 mt-30 -74.93 -35.04 62.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.22 -178.3 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 73.7 m -64.03 -31.41 72.59 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.173 178.691 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 94.5 mt -59.44 -46.98 92.27 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.205 178.496 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 49.6 mm -77.57 -36.76 23.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.179 -176.76 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 88.3 mtm-85 -60.01 -37.21 79.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.15 177.99 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -62.22 -30.08 70.84 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.216 175.455 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 109' ' ' TYR . . . . . . . . . . . . . 19.4 m-30 -92.96 -18.49 22.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.217 -174.834 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 74.8 p -74.15 172.13 12.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.146 -175.242 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 48.1 m-20 -112.12 -32.02 6.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.135 175.064 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 60.1 tp -139.5 136.43 34.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.186 174.588 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 85.7 t -114.04 122.67 68.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.205 -176.321 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 114' ' ' ILE . . . . . 0.459 HG12 ' HB ' ' A' ' 133' ' ' ILE . 92.9 mt -107.92 123.76 63.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.232 167.503 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 15.4 t -130.37 -176.6 4.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.191 177.848 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 73.7 m80 -133.5 145.05 49.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.201 -176.73 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -55.25 134.32 49.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.184 178.938 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 110.67 40.69 1.3 Allowed Glycine 0 CA--C 1.522 0.519 0 N-CA-C 111.212 -0.755 . . . . 0.0 111.212 -179.571 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 119' ' ' THR . . . . . 0.655 ' O ' ' C ' ' A' ' 120' ' ' GLY . 12.9 t -173.87 24.59 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.822 0.344 . . . . 0.0 111.211 175.897 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 120' ' ' GLY . . . . . 0.655 ' C ' ' O ' ' A' ' 119' ' ' THR . . . 3.45 63.86 0.0 OUTLIER Glycine 0 CA--C 1.523 0.564 0 N-CA-C 111.176 -0.77 . . . . 0.0 111.176 -174.571 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 121' ' ' SER . . . . . 0.63 ' N ' ' O ' ' A' ' 119' ' ' THR . 80.6 p -93.22 3.64 55.32 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.778 0.323 . . . . 0.0 111.221 177.905 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 122' ' ' ILE . . . . . . . . . . . . . 35.3 pt -67.38 -19.9 25.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.111 -172.613 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 64.1 tp -56.56 -46.03 80.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.113 -173.978 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 74.5 m-20 -59.95 -59.78 4.88 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.141 -173.563 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 10.4 t -54.55 -36.48 64.36 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.206 -179.13 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 4.0 mp -63.51 -51.13 66.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.212 176.644 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 20.1 ptt180 -74.88 -15.02 60.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.192 -175.749 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 97.9 mt -92.52 -7.43 47.35 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.184 178.701 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 84.0 m-20 64.43 35.04 9.84 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.221 -176.618 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 94.3 mttt -109.71 149.91 40.56 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.173 -178.975 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 38.5 Cg_endo -64.04 138.41 62.08 Favored 'Trans proline' 0 N--CA 1.458 -0.562 0 C-N-CA 121.639 1.559 . . . . 0.0 111.179 177.005 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 65.2 tp -128.5 126.16 39.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.15 -171.679 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 133' ' ' ILE . . . . . 0.459 ' HB ' HG12 ' A' ' 114' ' ' ILE . 62.0 mt -107.99 125.96 64.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.252 171.085 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 97.5 t -125.04 128.45 73.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.173 179.138 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 135' ' ' CYS . . . . . . . . . . . . . 95.9 m -89.07 124.94 34.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.265 175.038 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 97.2 t -94.07 114.39 30.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.183 -177.798 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 27.2 p30 . . . . . 0 C--N 1.329 -0.326 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.184 -174.344 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.781 0.324 . . . . 0.0 111.196 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 95.1 m-20 -65.06 -35.07 79.98 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.193 178.563 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 151' ' ' LYS . . . . . . . . . . . . . 70.0 mmtt -77.6 -28.42 51.53 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.237 -179.661 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 152' ' ' PHE . . . . . . . . . . . . . 16.0 m-30 -61.44 -36.44 80.4 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.204 169.244 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 153' ' ' VAL . . . . . . . . . . . . . 79.3 t -75.01 -45.32 43.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.246 178.308 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 94.3 mt-10 -63.09 -34.51 77.76 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.207 178.585 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 155' ' ' LEU . . . . . . . . . . . . . 46.2 tp -67.63 -48.25 67.26 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.216 172.071 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . 85.42 10.22 77.64 Favored Glycine 0 CA--C 1.524 0.629 0 N-CA-C 111.222 -0.751 . . . . 0.0 111.222 168.684 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 157' ' ' TYR . . . . . . . . . . . . . 79.5 m-85 -124.98 3.57 8.02 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.775 0.321 . . . . 0.0 111.163 -179.196 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 158' ' ' VAL . . . . . . . . . . . . . 58.8 t -123.94 125.0 70.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.232 177.719 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 159' ' ' TRP . . . . . . . . . . . . . 95.4 m95 -82.74 133.3 35.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.189 179.393 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 160' ' ' SER . . . . . . . . . . . . . 40.5 t -102.31 109.28 20.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.169 178.502 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 161' ' ' CYS . . . . . . . . . . . . . 78.6 m -125.04 -175.22 3.24 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.216 -175.165 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -100.11 146.43 31.92 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.262 178.195 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 163' ' ' PRO . . . . . . . . . . . . . 89.3 Cg_endo -77.24 64.79 7.92 Favored 'Trans proline' 0 N--CA 1.457 -0.636 0 C-N-CA 121.801 1.667 . . . . 0.0 111.143 179.723 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 164' ' ' THR . . . . . . . . . . . . . 14.6 t -162.49 175.77 11.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.151 179.557 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 165' ' ' GLU . . . . . . . . . . . . . 89.3 tt0 -53.99 -45.95 71.57 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.156 -175.804 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 166' ' ' THR . . . . . . . . . . . . . 95.0 m -64.55 -48.9 73.32 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.177 -176.701 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 167' ' ' GLY . . . . . . . . . . . . . . . -66.21 -35.2 90.06 Favored Glycine 0 CA--C 1.523 0.571 0 N-CA-C 111.224 -0.75 . . . . 0.0 111.224 -177.978 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 168' ' ' LEU . . . . . . . . . . . . . 64.6 mt -69.36 -45.2 69.96 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.846 0.355 . . . . 0.0 111.229 -176.256 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 9.4 tp -75.11 -27.12 19.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.219 178.465 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 170' ' ' ALA . . . . . . . . . . . . . . . -69.55 -35.54 75.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.22 174.179 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 171' ' ' GLY . . . . . . . . . . . . . . . -63.63 -42.2 98.83 Favored Glycine 0 CA--C 1.524 0.609 0 N-CA-C 111.209 -0.757 . . . . 0.0 111.209 175.532 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 62.7 mt -61.4 -42.65 99.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.859 0.361 . . . . 0.0 111.195 175.698 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 173' ' ' ARG . . . . . . . . . . . . . 37.0 ttm180 -57.51 -46.41 83.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.202 174.511 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -64.99 -40.26 94.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.255 -177.382 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 60.7 p -65.05 -24.93 67.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.217 -178.18 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 176' ' ' GLN . . . . . . . . . . . . . 87.5 mm-40 -99.66 -18.56 17.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.162 -179.183 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 177' ' ' THR . . . . . . . . . . . . . 81.7 m -72.6 -46.3 54.88 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.252 175.969 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 178' ' ' GLU . . . . . . . . . . . . . 93.8 mt-10 -121.71 140.7 51.98 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.217 179.625 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 179' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -91.96 129.88 37.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.23 -178.225 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 180' ' ' LEU . . . . . . . . . . . . . 86.3 mt . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.167 176.256 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 17.7 mt-10 . . . . . 0 CA--C 1.524 -0.054 0 CA-C-O 120.787 0.327 . . . . 0.0 111.188 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 6' ' ' LYS . . . . . 0.535 ' HB2' ' HA ' ' A' ' 39' ' ' PHE . 90.8 mttt -67.53 136.52 54.67 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.169 178.773 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -127.87 135.29 49.82 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.183 -174.127 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 97.1 mt -86.4 140.63 29.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.226 167.663 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 47.4 t80 -116.86 102.71 9.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.194 175.39 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 71.6 t -104.81 123.58 58.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.176 -172.316 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 69.8 p -115.32 141.43 48.04 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.267 174.814 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 82.5 m -113.48 144.94 41.99 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.186 -174.96 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -111.71 168.58 12.82 Favored Glycine 0 CA--C 1.523 0.556 0 N-CA-C 111.214 -0.754 . . . . 0.0 111.214 -179.299 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -87.35 54.76 3.26 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.827 0.346 . . . . 0.0 111.166 -173.133 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' THR . . . . . 0.401 ' OG1' ' NE2' ' A' ' 116' ' ' HIS . 29.4 p -128.5 -72.66 0.6 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.182 178.386 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 84.8 t -84.1 133.16 46.0 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.168 172.58 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 86.9 Cg_exo -51.36 141.8 39.48 Favored 'Trans proline' 0 N--CA 1.457 -0.627 0 C-N-CA 121.643 1.562 . . . . 0.0 111.222 -179.418 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' PHE . . . . . 0.542 ' N ' ' CD ' ' A' ' 19' ' ' PRO . 14.4 m-30 -63.39 -43.13 78.41 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.203 -173.089 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 19' ' ' PRO . . . . . 0.542 ' CD ' ' N ' ' A' ' 18' ' ' PHE . 71.1 Cg_exo -54.91 -31.99 76.0 Favored 'Trans proline' 0 N--CA 1.459 -0.556 0 C-N-CA 121.636 1.558 . . . . 0.0 111.252 178.441 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -82.09 -24.66 35.06 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.157 -179.909 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 83.4 mt -75.8 -23.91 55.89 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.204 -179.135 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 27.3 m -99.34 -11.34 8.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.217 -176.854 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 72.9 p -63.48 -31.96 73.28 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.244 -178.26 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 26.1 p -80.58 -41.95 23.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.213 178.615 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 1.4 p -74.4 -19.97 17.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.215 -174.927 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 92.1 mt -100.1 5.41 44.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.171 -178.81 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 55.0 p -68.03 152.66 45.17 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.264 -178.073 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 94.7 m-20 -64.94 -34.96 79.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.222 179.059 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -69.87 -45.67 67.21 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.269 -179.567 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 78.7 t80 -59.65 -49.44 77.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.184 178.858 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 90.1 m -69.13 -39.87 78.63 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.187 -176.006 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 66.8 tt0 -55.74 -41.89 74.58 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.159 176.619 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 65.6 mm-40 -76.44 -38.2 55.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.224 176.793 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 36.7 tp -57.45 -42.53 82.68 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.16 -173.768 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 42.7 pt -73.61 -7.91 10.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.258 -174.811 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 68.4 mt-30 -93.92 -0.67 55.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.166 178.164 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 72.1 m-85 -109.34 -2.46 17.81 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.266 176.285 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 99.56 -5.86 58.8 Favored Glycine 0 CA--C 1.523 0.579 0 N-CA-C 111.224 -0.75 . . . . 0.0 111.224 178.586 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.535 ' HA ' ' HB2' ' A' ' 6' ' ' LYS . 51.8 m-85 -80.73 124.64 29.21 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.888 0.375 . . . . 0.0 111.208 -178.809 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 85.4 t -122.17 -42.23 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.156 -177.713 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 85.9 mtt180 -91.26 137.95 31.97 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.185 -172.082 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 56.7 tp -129.48 109.24 10.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.224 -176.96 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 3.0 mp -94.65 106.25 17.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.14 179.167 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 45.6 mm -101.99 102.39 13.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.171 -179.715 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 21.4 tm0? -77.53 127.7 32.95 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.197 174.02 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 47.3 p90 -155.05 158.66 39.43 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.178 171.879 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -111.09 -5.51 26.79 Favored Glycine 0 CA--C 1.524 0.629 0 N-CA-C 111.15 -0.78 . . . . 0.0 111.15 178.723 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -101.9 124.13 47.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.853 0.359 . . . . 0.0 111.231 -179.606 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 56.5 t30 -77.37 68.52 3.49 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.214 -175.782 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 53.8 p90 -98.6 30.49 3.24 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.193 167.917 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 91.5 p -66.36 -15.44 63.27 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.146 -173.42 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 87.5 p -65.12 -25.04 67.6 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.192 175.154 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 77.2 mm-40 -71.16 -35.17 71.54 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.163 176.343 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 52.2 m-85 -65.47 -38.77 90.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.214 171.712 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' GLU . . . . . 0.441 ' HG3' ' HE ' ' A' ' 65' ' ' ARG . 79.0 tt0 -66.99 -36.58 82.48 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.15 178.121 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 34.7 m-70 -70.1 -30.0 67.11 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.192 175.929 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 57.3 tp -64.55 -46.77 81.38 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.2 179.182 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 28.1 m -72.29 -23.99 21.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.212 -179.515 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 82.6 mt-30 -68.51 -38.73 81.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.179 172.704 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -68.6 -32.3 72.09 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.224 177.988 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 74.7 mmt-85 -95.0 -16.58 22.64 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.238 -174.037 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 82.7 32.2 27.84 Favored Glycine 0 CA--C 1.523 0.575 0 N-CA-C 111.228 -0.749 . . . . 0.0 111.228 176.193 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -102.81 -164.67 26.02 Favored Glycine 0 CA--C 1.522 0.528 0 N-CA-C 111.216 -0.753 . . . . 0.0 111.216 -179.509 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 95.4 mm-40 -119.72 177.39 4.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.811 0.339 . . . . 0.0 111.151 179.834 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 65' ' ' ARG . . . . . 0.441 ' HE ' ' HG3' ' A' ' 55' ' ' GLU . 0.0 OUTLIER -167.03 150.08 6.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.176 178.401 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 41.3 tt0 -152.83 131.96 12.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.179 -177.593 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 35.3 t -78.75 131.17 36.46 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.205 172.697 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 84.9 mt-30 -136.56 145.01 44.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.202 -175.352 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -84.73 124.98 32.13 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.258 172.908 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.486 ' HB ' ' HB2' ' A' ' 77' ' ' CYS . 48.0 mm -112.39 134.82 21.47 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.273 -171.561 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 76.9 Cg_exo -55.44 155.52 20.49 Favored 'Trans proline' 0 N--CA 1.457 -0.62 0 C-N-CA 121.68 1.586 . . . . 0.0 111.239 -176.375 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 96.6 mt -93.09 -47.35 13.77 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.235 176.748 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 99.5 m-20 -64.97 -43.27 93.17 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.147 -177.994 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 61.9 tp60 -78.17 -31.87 49.88 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.207 -176.163 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 95.7 m-85 -124.93 -59.96 1.39 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.189 -174.507 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 119.98 23.21 3.06 Favored Glycine 0 CA--C 1.523 0.552 0 N-CA-C 111.208 -0.757 . . . . 0.0 111.208 179.587 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 77' ' ' CYS . . . . . 0.486 ' HB2' ' HB ' ' A' ' 70' ' ' ILE . 66.4 m -115.1 165.96 12.34 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.766 0.317 . . . . 0.0 111.202 -172.168 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -104.3 -140.44 10.54 Favored Glycine 0 CA--C 1.523 0.588 0 N-CA-C 111.196 -0.762 . . . . 0.0 111.196 175.859 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 52.8 p-10 -106.61 22.94 15.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.823 0.344 . . . . 0.0 111.192 178.724 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 80' ' ' THR . . . . . 0.432 ' HB ' ' HB3' ' A' ' 97' ' ' ASP . 68.2 p -115.65 38.46 3.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.155 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -109.95 138.27 46.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.175 174.987 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 82.9 mtp180 -128.96 122.0 29.22 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.229 -177.766 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 63.9 tt0 -87.33 135.62 33.25 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.118 -179.89 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 95.1 m-85 -129.54 132.71 46.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.218 -177.635 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 96.0 t -103.55 117.92 49.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.187 -174.689 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 80.7 mt -129.61 167.55 17.78 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.157 -177.155 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 94.7 mmm 59.63 30.43 20.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.16 177.225 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 96.4 m-20 64.97 33.76 9.51 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.201 178.937 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 95.45 -2.16 64.89 Favored Glycine 0 CA--C 1.523 0.551 0 N-CA-C 111.238 -0.745 . . . . 0.0 111.238 176.164 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 99.7 mttt -83.6 -14.63 51.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.831 0.348 . . . . 0.0 111.21 -178.902 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.432 ' HG ' HG23 ' A' ' 93' ' ' VAL . 39.4 tp -126.02 126.21 43.91 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.218 178.634 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -112.13 92.57 4.08 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.242 -179.093 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 93' ' ' VAL . . . . . 0.432 HG23 ' HG ' ' A' ' 91' ' ' LEU . 99.2 t -97.86 119.65 46.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.218 -177.609 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 72.0 mt -118.74 119.88 62.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.122 179.638 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -87.29 134.61 12.59 Favored Glycine 0 CA--C 1.522 0.497 0 N-CA-C 111.253 -0.739 . . . . 0.0 111.253 178.842 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 96.9 m-85 -120.17 101.58 7.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.801 0.334 . . . . 0.0 111.186 -178.652 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 97' ' ' ASP . . . . . 0.432 ' HB3' ' HB ' ' A' ' 80' ' ' THR . 55.4 t0 -84.91 75.22 10.39 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.17 -175.96 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 45.7 p90 -176.17 172.97 2.26 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.142 174.276 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 86.6 p -64.85 -176.88 0.29 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.198 -177.398 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 47.4 p -75.05 70.35 2.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.147 -177.977 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -97.93 -3.12 39.09 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.2 179.431 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 71.8 mtm -82.15 65.05 7.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.243 -174.285 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 97.7 mm-40 -90.01 -4.86 57.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.257 -169.962 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 38.3 m -98.3 -38.38 9.28 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.182 173.046 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 90.1 mt -58.57 -48.66 84.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.258 171.613 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 13.1 tt -63.96 -13.88 14.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.232 -175.39 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 78.7 ttt-85 -87.13 -63.66 1.27 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.253 -178.415 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 58.5 m-20 -106.17 -34.77 7.42 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.209 -167.515 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 109' ' ' TYR . . . . . . . . . . . . . 76.5 m-85 -80.4 -41.9 23.75 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.192 -173.251 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 39.4 t -61.76 136.08 57.85 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.219 178.397 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 30.5 m-20 -116.09 -28.37 6.63 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.174 176.136 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 10.0 tt -138.62 130.92 28.6 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.166 172.38 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 84.3 t -95.1 126.65 47.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.212 -173.551 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 114' ' ' ILE . . . . . 0.43 HG12 ' HB ' ' A' ' 133' ' ' ILE . 84.1 mt -121.24 121.53 65.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.164 174.963 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 40.0 m -127.04 138.37 53.22 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.203 -179.72 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 116' ' ' HIS . . . . . 0.401 ' NE2' ' OG1' ' A' ' 15' ' ' THR . 74.8 t60 -93.58 131.48 38.81 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.204 173.041 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -61.22 126.3 26.86 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.257 179.057 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 121.12 21.6 3.09 Favored Glycine 0 CA--C 1.523 0.533 0 N-CA-C 111.234 -0.746 . . . . 0.0 111.234 -175.772 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 60.3 m -114.61 -48.23 2.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.745 0.307 . . . . 0.0 111.209 -175.441 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 102.07 -39.11 2.88 Favored Glycine 0 CA--C 1.522 0.514 0 N-CA-C 111.252 -0.739 . . . . 0.0 111.252 -177.04 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 82.4 p -70.48 -15.01 62.76 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.771 0.32 . . . . 0.0 111.183 179.669 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 122' ' ' ILE . . . . . . . . . . . . . 19.6 tt -51.13 -30.04 9.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.195 173.463 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 97.4 mt -65.0 -27.97 69.19 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.224 -176.333 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 68.6 m-20 -104.07 -23.32 13.32 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.164 -178.075 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 52.4 p -75.35 -18.05 60.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.222 -176.146 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 85.4 mt -93.87 -0.48 55.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.229 -178.065 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 51.6 ptt85 -118.1 40.08 3.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.157 178.762 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 90.6 mt -107.67 5.08 26.48 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.196 -176.07 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 96.4 m-20 64.97 35.31 8.3 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.197 -178.393 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 50.8 mttm -127.54 158.2 70.61 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.225 177.062 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_exo -53.82 138.75 68.97 Favored 'Trans proline' 0 N--CA 1.458 -0.614 0 C-N-CA 121.722 1.615 . . . . 0.0 111.255 173.444 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 64.2 mt -122.54 124.46 43.59 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.187 -165.493 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 133' ' ' ILE . . . . . 0.43 ' HB ' HG12 ' A' ' 114' ' ' ILE . 82.7 mt -123.71 129.6 74.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.203 167.93 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 71.9 t -124.91 131.75 72.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.136 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 135' ' ' CYS . . . . . . . . . . . . . 52.7 t -108.25 124.75 50.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.174 179.198 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 28.7 m -78.63 168.86 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.204 -179.812 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 25.2 p30 . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.206 -174.297 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.82 0.343 . . . . 0.0 111.197 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 93.4 m-20 -66.58 -37.64 85.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.217 178.967 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 151' ' ' LYS . . . . . . . . . . . . . 96.9 mttt -67.65 -40.63 84.55 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.198 176.749 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 152' ' ' PHE . . . . . . . . . . . . . 12.1 m-30 -59.91 -46.53 89.05 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.228 179.007 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 153' ' ' VAL . . . . . . . . . . . . . 75.3 t -73.63 -41.97 55.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.211 -179.286 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -55.58 -44.29 76.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.189 178.924 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 155' ' ' LEU . . . . . . . . . . . . . 95.4 mt -73.83 -41.43 62.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.128 178.988 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . 81.17 19.5 66.85 Favored Glycine 0 CA--C 1.523 0.555 0 N-CA-C 111.236 -0.746 . . . . 0.0 111.236 166.979 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 157' ' ' TYR . . . . . . . . . . . . . 79.8 m-85 -116.63 12.09 14.89 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.768 0.318 . . . . 0.0 111.216 179.126 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 158' ' ' VAL . . . . . . . . . . . . . 9.0 p -160.0 134.12 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.2 178.639 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 159' ' ' TRP . . . . . 0.495 ' HA ' ' CE3' ' A' ' 159' ' ' TRP . 3.7 m95 -79.31 139.99 37.67 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.216 176.511 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 160' ' ' SER . . . . . . . . . . . . . 46.7 t -100.7 110.74 22.88 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.199 177.91 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 161' ' ' CYS . . . . . . . . . . . . . 85.5 m -110.14 149.5 29.98 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.162 -179.415 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -93.6 158.4 36.79 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.188 175.695 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 163' ' ' PRO . . . . . . . . . . . . . 85.5 Cg_endo -74.94 66.1 5.98 Favored 'Trans proline' 0 N--CA 1.458 -0.585 0 C-N-CA 121.687 1.592 . . . . 0.0 111.229 176.863 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 164' ' ' THR . . . . . . . . . . . . . 13.7 t -150.73 179.25 8.36 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.208 -177.02 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 165' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -66.19 -32.5 73.96 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.267 -168.399 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 166' ' ' THR . . . . . . . . . . . . . 75.2 p -106.77 15.96 24.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.176 -176.413 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 167' ' ' GLY . . . . . . . . . . . . . . . -64.67 -51.75 48.95 Favored Glycine 0 CA--C 1.523 0.551 0 N-CA-C 111.21 -0.756 . . . . 0.0 111.21 179.666 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 168' ' ' LEU . . . . . . . . . . . . . 79.3 mt -80.32 -24.08 40.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.817 0.341 . . . . 0.0 111.192 -178.554 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 93.0 mt -64.62 -41.92 93.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.177 175.513 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 170' ' ' ALA . . . . . . . . . . . . . . . -62.53 -44.37 96.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.144 176.636 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 171' ' ' GLY . . . . . . . . . . . . . . . -66.61 -38.78 93.55 Favored Glycine 0 CA--C 1.522 0.53 0 N-CA-C 111.153 -0.779 . . . . 0.0 111.153 178.792 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 62.7 tp -63.0 -43.42 98.85 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.761 0.315 . . . . 0.0 111.184 179.095 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 173' ' ' ARG . . . . . . . . . . . . . 97.1 mtt180 -75.19 -28.28 59.95 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.185 178.112 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -64.04 -34.63 78.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.201 177.121 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 75.4 m -61.63 -30.12 70.5 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.214 176.559 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 176' ' ' GLN . . . . . . . . . . . . . 66.6 tt0 -75.2 -39.18 60.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.213 175.572 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 177' ' ' THR . . . . . . . . . . . . . 92.4 m -64.6 -53.82 41.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.235 -179.761 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 178' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -129.25 144.55 51.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.306 176.891 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 179' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -62.12 124.96 22.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.265 -178.759 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 180' ' ' LEU . . . . . . . . . . . . . 66.0 tp . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.234 -177.36 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 95.2 mt-10 . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.809 0.338 . . . . 0.0 111.183 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -85.25 159.91 19.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.181 166.468 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -100.48 114.1 27.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.201 -171.84 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 49.9 tp -102.45 119.91 39.62 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.218 170.518 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 40.2 t80 -104.68 120.17 40.72 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.174 178.691 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 97.1 t -114.85 128.89 71.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.148 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 11.8 t -138.75 150.2 45.87 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.194 178.776 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 72.4 m -125.11 155.0 40.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.189 -173.824 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -79.24 173.79 55.27 Favored Glycine 0 CA--C 1.524 0.612 0 N-CA-C 111.169 -0.772 . . . . 0.0 111.169 170.914 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -93.37 -9.76 37.62 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.736 0.303 . . . . 0.0 111.152 -178.581 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 98.7 m -65.4 -43.88 89.22 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.189 -177.0 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 66.1 t -112.68 133.98 21.77 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.17 -178.633 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 88.3 Cg_exo -51.71 142.74 40.11 Favored 'Trans proline' 0 N--CA 1.459 -0.545 0 C-N-CA 121.667 1.578 . . . . 0.0 111.229 -179.194 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' PHE . . . . . 0.537 ' HB3' ' HD3' ' A' ' 19' ' ' PRO . 81.6 t80 -58.15 -43.82 98.7 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.22 -177.755 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' PRO . . . . . 0.537 ' HD3' ' HB3' ' A' ' 18' ' ' PHE . 83.0 Cg_exo -53.89 -31.36 62.44 Favored 'Trans proline' 0 N--CA 1.459 -0.532 0 C-N-CA 121.595 1.53 . . . . 0.0 111.224 -179.029 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 97.4 mttt -85.56 -31.66 22.56 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.211 -176.397 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 92.0 mt -82.04 -33.98 29.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.24 -179.294 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 6.6 p -70.96 -17.27 20.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.148 -175.677 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 85.4 p -63.69 -17.21 62.74 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.156 -178.201 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 99.4 m -83.75 -15.01 50.17 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.155 -178.389 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 26.9 m -119.97 12.29 6.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.249 -177.486 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 94.2 mt -108.57 2.3 22.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.188 174.991 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 3.9 t -60.1 140.0 57.15 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.174 177.282 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 98.1 m-20 -63.24 -35.11 79.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.22 175.956 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 77.8 mm-40 -75.12 -36.67 61.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.156 177.662 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.412 ' CE2' HD11 ' A' ' 34' ' ' LEU . 82.6 t80 -55.97 -51.09 68.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.206 175.71 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 98.5 m -76.45 -29.06 56.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.19 -176.93 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 68.9 tp60 -65.1 -31.49 72.72 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.153 177.688 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 69.6 mm-40 -79.7 -38.25 33.91 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.244 179.05 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.412 HD11 ' CE2' ' A' ' 30' ' ' PHE . 36.3 mt -54.54 -41.26 69.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.232 -178.761 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 48.1 pt -76.41 -7.57 10.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.203 -177.168 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 65.6 mt-30 -94.86 -5.67 44.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.258 173.955 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 30.1 m-85 -110.99 -10.36 14.38 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.179 172.166 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 94.66 33.55 6.69 Favored Glycine 0 CA--C 1.524 0.631 0 N-CA-C 111.228 -0.749 . . . . 0.0 111.228 173.488 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 84.4 m-85 -99.19 130.2 45.48 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.822 0.344 . . . . 0.0 111.208 174.594 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 81.7 t -133.15 -40.03 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.233 177.288 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 97.1 mtt180 -82.97 109.95 17.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.184 -173.164 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.455 HD23 HG22 ' A' ' 93' ' ' VAL . 63.3 tp -107.68 111.28 23.41 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.187 -178.42 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 84.3 mt -101.83 117.96 47.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.135 176.815 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 92.8 mt -112.8 123.33 68.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.22 -173.895 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 66.5 tt0 -98.75 145.04 27.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.219 176.927 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 46.6 p90 -153.66 163.73 39.5 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.224 172.161 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -106.28 -135.77 8.16 Favored Glycine 0 CA--C 1.523 0.58 0 N-CA-C 111.197 -0.761 . . . . 0.0 111.197 -173.485 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 98.1 mtt180 -109.09 -32.52 7.2 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.813 0.339 . . . . 0.0 111.21 179.206 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 99.3 m-20 -72.4 -17.02 61.84 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.188 177.328 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 33.1 p90 -149.02 155.03 40.19 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.157 178.268 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 91.4 p -144.39 160.31 41.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.173 -171.795 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 40.8 t -107.62 119.33 39.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.214 179.167 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 88.1 tt0 -144.89 120.67 10.55 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.154 -179.605 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 76.5 m-85 -121.41 26.8 8.65 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.186 -177.503 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 69.1 mm-40 -54.35 -52.89 60.16 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.178 -179.583 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 86.3 t60 -66.11 -42.63 88.96 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.251 -179.402 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 66.4 tp -53.98 -51.95 62.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.206 -179.585 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 54.8 t -69.46 -40.04 79.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.228 -177.484 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 71.6 tp60 -64.67 -35.06 79.82 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.185 179.509 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -69.62 -42.33 74.49 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.185 177.008 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 94.9 mtt-85 -73.52 -24.27 60.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.196 179.65 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 84.99 31.94 22.1 Favored Glycine 0 CA--C 1.523 0.563 0 N-CA-C 111.262 -0.735 . . . . 0.0 111.262 -179.859 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -94.9 -162.2 34.63 Favored Glycine 0 CA--C 1.522 0.516 0 N-CA-C 111.25 -0.74 . . . . 0.0 111.25 -179.216 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 97.3 mm-40 -113.73 161.8 17.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.738 0.304 . . . . 0.0 111.241 179.511 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 33.2 ptt-85 -160.01 144.78 14.88 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.226 176.046 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -162.45 143.49 10.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.24 -171.519 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 75.0 m -83.19 124.96 31.04 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.175 171.805 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 80.1 mt-30 -133.47 153.32 51.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.202 -175.063 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -113.05 104.85 12.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.182 -174.151 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 65.9 mt -119.97 128.86 25.64 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.215 -175.034 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 77.7 Cg_exo -52.47 117.92 4.14 Favored 'Trans proline' 0 N--CA 1.458 -0.568 0 C-N-CA 121.658 1.572 . . . . 0.0 111.22 179.899 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 94.6 mt -63.83 -41.88 94.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.21 176.025 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 16.0 p-10 -76.53 -11.4 59.87 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.205 -169.303 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 98.6 mm-40 -110.06 -30.86 7.59 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.217 -177.411 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 99.0 m-85 -121.12 -35.03 3.38 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.262 -174.149 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 97.95 -1.37 59.45 Favored Glycine 0 CA--C 1.524 0.602 0 N-CA-C 111.199 -0.761 . . . . 0.0 111.199 -176.977 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 72.3 m -94.08 158.07 15.79 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.796 0.331 . . . . 0.0 111.203 177.86 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -65.0 140.6 42.21 Favored Glycine 0 CA--C 1.524 0.632 0 N-CA-C 111.215 -0.754 . . . . 0.0 111.215 -168.039 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 92.7 m-20 -65.53 -26.22 67.79 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.783 0.325 . . . . 0.0 111.175 177.11 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 66.6 p -135.01 69.94 1.44 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.185 169.303 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -95.93 156.11 16.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.18 -168.634 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 22.3 tpt180 -100.04 112.14 24.44 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.229 173.795 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 83' ' ' GLN . . . . . 0.459 ' HA ' ' O ' ' A' ' 93' ' ' VAL . 32.9 tt0 -93.13 133.13 36.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.21 -176.427 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 84' ' ' TYR . . . . . 0.483 ' HB2' ' HB ' ' A' ' 93' ' ' VAL . 98.5 m-85 -121.14 139.99 52.6 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.185 173.892 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 91.6 t -102.5 113.97 40.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.211 -179.511 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 93.5 mt -123.88 166.36 15.77 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.245 179.197 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 98.6 mmm 60.52 30.02 19.44 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.246 176.503 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 96.4 m-20 64.98 34.24 9.1 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.246 177.929 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 94.84 -3.56 67.69 Favored Glycine 0 CA--C 1.523 0.555 0 N-CA-C 111.192 -0.763 . . . . 0.0 111.192 176.248 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 99.7 mttt -80.08 -19.87 46.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.872 0.367 . . . . 0.0 111.21 -178.897 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 69.0 tp -119.73 118.8 31.85 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.184 174.379 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -104.06 99.2 8.94 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.151 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 93' ' ' VAL . . . . . 0.483 ' HB ' ' HB2' ' A' ' 84' ' ' TYR . 58.1 t -88.11 127.59 41.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.172 -171.839 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 67.8 mt -124.96 95.59 3.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.22 -178.073 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -89.7 131.18 10.59 Favored Glycine 0 CA--C 1.524 0.628 0 N-CA-C 111.184 -0.766 . . . . 0.0 111.184 179.78 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 82.8 t80 -166.34 143.43 5.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.822 0.344 . . . . 0.0 111.155 176.756 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 60.3 t0 -77.79 103.71 7.89 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.2 177.631 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 95.3 m-85 -95.91 149.98 20.94 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.208 -179.353 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 82.3 p -96.1 175.34 6.5 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.211 172.701 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 87.0 m -63.18 -33.62 75.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.192 176.201 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -65.03 -29.17 70.05 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.168 173.974 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 64.6 mtt -84.42 -21.78 30.63 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.182 177.598 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 93.5 mt-30 -66.69 -39.14 87.97 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.216 171.481 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 86.7 p -69.37 -15.05 63.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.188 177.328 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 96.6 mt -88.91 -46.77 15.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.22 173.648 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 87.2 mt -65.2 -30.24 49.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.249 -176.41 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 39.2 ptt180 -61.07 -19.32 61.27 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.209 179.124 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 71.5 m-20 -89.75 -18.72 25.8 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.152 176.913 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 109' ' ' TYR . . . . . . . . . . . . . 59.5 m-85 -119.97 67.23 0.82 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.225 -179.84 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 43.4 t -156.69 143.25 18.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.223 -177.418 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 60.9 m-20 -109.73 -31.66 7.37 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.192 174.756 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 54.7 tp -141.44 135.58 30.45 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.261 174.561 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 97.7 t -112.81 138.67 41.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.156 175.699 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 93.9 mt -121.84 129.53 75.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.23 171.42 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 32.4 t -118.94 119.78 35.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.217 -174.944 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 98.5 m-70 -98.07 119.64 37.06 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.24 -179.057 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . 54.19 44.25 29.41 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.207 175.283 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -166.7 157.46 29.95 Favored Glycine 0 CA--C 1.524 0.596 0 N-CA-C 111.181 -0.768 . . . . 0.0 111.181 178.857 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 69.4 p -131.83 -6.55 3.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.726 0.298 . . . . 0.0 111.168 179.898 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -64.52 -29.62 75.63 Favored Glycine 0 CA--C 1.523 0.564 0 N-CA-C 111.159 -0.776 . . . . 0.0 111.159 -178.663 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 82.6 p -71.32 -20.02 62.24 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.793 0.33 . . . . 0.0 111.155 -179.72 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 122' ' ' ILE . . . . . 0.524 ' HA ' HD13 ' A' ' 132' ' ' LEU . 94.8 mt -64.95 -33.44 63.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.169 -177.081 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 61.4 tp -46.49 -52.39 13.36 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.201 -178.967 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 90.9 m-20 -68.43 -45.66 71.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.146 -176.715 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 23.0 t -61.98 -57.52 11.38 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.208 -169.581 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 73.6 mt -73.66 -26.36 60.71 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.257 -173.634 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 77.2 ttt180 -63.42 -29.99 71.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.136 175.176 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 88.8 mt -97.26 9.47 42.16 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.247 177.345 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 96.3 m-20 65.01 35.06 8.37 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.152 178.047 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 130' ' ' LYS . . . . . 0.422 ' HA ' ' HD3' ' A' ' 131' ' ' PRO . 95.9 mttt -110.41 137.75 20.74 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.191 179.68 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 131' ' ' PRO . . . . . 0.422 ' HD3' ' HA ' ' A' ' 130' ' ' LYS . 50.3 Cg_exo -60.67 143.65 99.44 Favored 'Trans proline' 0 N--CA 1.458 -0.59 0 C-N-CA 121.717 1.611 . . . . 0.0 111.227 -176.732 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 132' ' ' LEU . . . . . 0.524 HD13 ' HA ' ' A' ' 122' ' ' ILE . 9.0 tt -137.57 138.91 40.06 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.177 172.185 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 68.0 mt -116.77 132.14 67.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.164 177.972 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 89.7 t -95.83 100.12 10.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.159 173.383 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 135' ' ' CYS . . . . . . . . . . . . . 88.1 m -98.2 128.36 44.63 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.228 176.3 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 35.9 m -125.27 157.85 33.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.241 -179.117 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 53.3 p30 . . . . . 0 C--N 1.328 -0.345 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.201 179.632 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.814 0.34 . . . . 0.0 111.184 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 85.4 m-20 -51.18 -45.11 61.68 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.209 -174.737 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 151' ' ' LYS . . . . . 0.457 ' HD3' ' HA ' ' A' ' 151' ' ' LYS . 48.1 mmtt -100.03 -35.03 9.84 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.172 -173.54 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 152' ' ' PHE . . . . . . . . . . . . . 9.8 m-30 -65.72 -32.65 74.31 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.194 -178.637 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 153' ' ' VAL . . . . . . . . . . . . . 90.5 t -94.18 -39.98 11.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.233 -178.329 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 86.7 tt0 -53.44 -44.58 68.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.142 175.387 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 155' ' ' LEU . . . . . . . . . . . . . 96.4 mt -75.44 -24.84 57.09 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.306 -0.407 . . . . 0.0 111.191 177.937 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . 75.34 41.89 29.55 Favored Glycine 0 CA--C 1.524 0.625 0 N-CA-C 111.179 -0.768 . . . . 0.0 111.179 179.335 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 157' ' ' TYR . . . . . . . . . . . . . 13.6 m-30 -108.61 -39.9 5.25 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.865 0.364 . . . . 0.0 111.257 -172.566 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 158' ' ' VAL . . . . . . . . . . . . . 10.4 p -156.3 146.39 11.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.16 -178.243 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 159' ' ' TRP . . . . . . . . . . . . . 51.7 m95 -82.85 162.56 21.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.183 -176.648 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 160' ' ' SER . . . . . . . . . . . . . 40.8 t -140.6 138.87 34.73 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.213 -177.943 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 161' ' ' CYS . . . . . . . . . . . . . 62.0 m -128.37 130.8 48.25 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.199 -177.932 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -86.42 159.14 53.72 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.168 171.943 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 163' ' ' PRO . . . . . . . . . . . . . 98.5 Cg_endo -76.38 65.36 7.25 Favored 'Trans proline' 0 N--CA 1.458 -0.586 0 C-N-CA 121.746 1.63 . . . . 0.0 111.144 -179.237 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 164' ' ' THR . . . . . . . . . . . . . 35.9 p -134.97 174.77 10.23 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.231 176.441 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 165' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -64.96 -31.08 72.14 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.172 -174.348 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 166' ' ' THR . . . . . . . . . . . . . 82.3 p -106.92 -24.27 12.08 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.215 -179.066 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 167' ' ' GLY . . . . . . . . . . . . . . . -67.81 -35.63 85.48 Favored Glycine 0 CA--C 1.523 0.55 0 N-CA-C 111.236 -0.746 . . . . 0.0 111.236 -177.573 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 168' ' ' LEU . . . . . . . . . . . . . 95.7 mt -77.02 -10.58 59.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.794 0.33 . . . . 0.0 111.197 -176.872 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 46.1 pt -120.63 -3.77 9.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.191 179.723 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 170' ' ' ALA . . . . . . . . . . . . . . . -62.18 -42.07 98.93 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.17 175.551 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 171' ' ' GLY . . . . . . . . . . . . . . . -70.35 -34.51 68.82 Favored Glycine 0 CA--C 1.523 0.587 0 N-CA-C 111.171 -0.772 . . . . 0.0 111.171 177.7 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 80.3 mt -63.99 -36.17 83.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.814 0.34 . . . . 0.0 111.221 179.141 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 173' ' ' ARG . . . . . . . . . . . . . 17.5 tpp85 -79.82 -36.48 36.85 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.239 175.44 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -66.42 -27.91 68.2 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.162 -178.661 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 41.6 p -60.06 -24.93 64.97 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.198 178.811 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 176' ' ' GLN . . . . . . . . . . . . . 90.6 mm-40 -102.51 7.0 40.27 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.215 -178.765 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 177' ' ' THR . . . . . 0.417 HG22 ' HG3' ' A' ' 178' ' ' GLU . 88.7 m -104.11 -52.1 3.01 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.205 -175.022 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 178' ' ' GLU . . . . . 0.417 ' HG3' HG22 ' A' ' 177' ' ' THR . 96.6 mt-10 -129.63 151.26 50.43 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.233 -178.511 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 179' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -86.67 134.38 33.61 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.15 178.273 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 180' ' ' LEU . . . . . . . . . . . . . 99.2 mt . . . . . 0 C--N 1.328 -0.343 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.204 -178.697 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.738 0.304 . . . . 0.0 111.176 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 75.0 mmtt -89.06 157.6 18.28 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.167 -177.094 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -122.18 134.57 54.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.155 -175.822 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 95.1 mt -97.93 143.25 28.71 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.238 174.653 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 1.2 t80 -118.06 94.97 4.7 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.196 177.458 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 93.9 t -100.23 122.87 52.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.275 -174.441 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 98.9 m -130.93 130.06 42.97 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.154 173.799 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 81.0 m -114.97 145.02 42.68 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.26 -178.109 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -79.88 172.33 54.8 Favored Glycine 0 CA--C 1.523 0.55 0 N-CA-C 111.179 -0.768 . . . . 0.0 111.179 176.948 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -93.34 -14.18 27.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.758 0.313 . . . . 0.0 111.141 -177.917 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 98.3 m -57.45 -49.51 76.02 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.223 -179.319 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.472 ' HB ' HD11 ' A' ' 21' ' ' LEU . 87.8 t -96.65 135.4 22.3 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.208 175.239 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 74.5 Cg_exo -46.67 132.21 16.45 Favored 'Trans proline' 0 N--CA 1.457 -0.662 0 C-N-CA 121.644 1.563 . . . . 0.0 111.259 -178.421 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' PHE . . . . . 0.561 ' N ' ' CD ' ' A' ' 19' ' ' PRO . 41.7 m-85 -63.52 -40.59 59.63 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.209 -175.678 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' PRO . . . . . 0.561 ' CD ' ' N ' ' A' ' 18' ' ' PHE . 87.4 Cg_exo -51.65 -32.41 44.74 Favored 'Trans proline' 0 N--CA 1.458 -0.588 0 C-N-CA 121.789 1.66 . . . . 0.0 111.165 178.376 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 97.4 mttt -78.49 -28.52 46.4 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.192 177.47 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.472 HD11 ' HB ' ' A' ' 16' ' ' VAL . 89.4 mt -91.6 -5.12 54.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.252 -171.798 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 33.0 m -104.21 -12.74 9.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.244 175.78 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 75.7 p -68.68 -16.33 63.79 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.158 179.83 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 73.2 m -86.93 -15.92 37.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.25 -178.109 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 35.5 m -117.07 -7.97 12.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.238 -175.633 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 97.5 mt -111.99 5.2 18.63 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.203 -178.245 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 52.4 p -73.69 151.51 40.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.141 -178.407 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 98.8 m-20 -66.01 -35.24 80.02 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.185 -176.542 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 77.2 mm-40 -70.25 -42.65 71.91 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.213 178.1 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.423 ' CE2' HD11 ' A' ' 34' ' ' LEU . 90.0 t80 -59.68 -51.4 69.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.152 -178.598 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 84.4 m -63.0 -31.67 72.86 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.165 -173.93 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 65.4 tt0 -76.58 -39.66 51.96 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.178 179.832 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 65.6 mm-40 -64.66 -30.93 71.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.226 -177.528 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.423 HD11 ' CE2' ' A' ' 30' ' ' PHE . 86.2 mt -56.11 -33.0 64.7 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.224 178.866 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 95.8 mt -61.25 -39.87 84.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.183 -175.442 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 86.5 mt-30 -84.07 -13.37 53.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.131 -178.371 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 14.9 m-30 -87.9 -26.08 22.92 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.229 177.725 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 101.53 13.78 31.76 Favored Glycine 0 CA--C 1.524 0.595 0 N-CA-C 111.142 -0.783 . . . . 0.0 111.142 179.715 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 64.8 m-85 -94.62 124.84 38.9 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.754 0.311 . . . . 0.0 111.18 179.893 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 98.4 t -120.11 -40.04 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.179 -176.883 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 43.5 ttp180 -96.04 129.93 43.18 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.203 179.865 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 64.0 tp -123.65 107.05 11.07 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.284 175.283 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 91.3 mt -103.58 122.59 56.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.175 -178.981 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 80.6 mt -114.84 116.1 51.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.189 -178.369 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 14.2 tm0? -109.98 104.06 12.91 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.18 -172.694 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 19.3 m-30 -110.72 178.22 4.43 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.284 178.123 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -83.91 -136.48 3.11 Favored Glycine 0 CA--C 1.524 0.639 0 N-CA-C 111.194 -0.763 . . . . 0.0 111.194 -172.685 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' ARG . . . . . 0.651 ' O ' ' HB2' ' A' ' 49' ' ' ASN . 79.4 ttt180 -74.03 88.32 1.89 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.783 0.325 . . . . 0.0 111.231 -168.393 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 49' ' ' ASN . . . . . 0.651 ' HB2' ' O ' ' A' ' 48' ' ' ARG . 97.0 m-20 87.12 86.15 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.162 167.24 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 97.3 m-85 -138.76 -21.71 0.98 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.23 171.692 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 50.0 m -55.97 -31.02 62.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.188 175.422 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 90.8 p -74.27 -19.68 60.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.218 179.176 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 76.6 mm-40 -81.36 -31.98 33.11 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.213 174.606 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.407 ' HA ' ' HB2' ' A' ' 57' ' ' LEU . 37.2 m-85 -65.18 -20.43 66.44 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.197 175.72 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -59.78 -29.4 68.17 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.201 176.162 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 97.5 m-70 -104.43 -21.36 13.48 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.196 -177.801 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.407 ' HB2' ' HA ' ' A' ' 54' ' ' PHE . 87.5 mt -66.45 -39.93 89.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.211 174.207 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 6.4 p -69.17 -25.47 29.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.173 177.314 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 91.2 mt-30 -72.03 -35.57 69.42 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.202 175.37 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -71.52 -31.28 66.89 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.231 173.227 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 5.7 mmp_? -79.99 -25.9 40.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.235 179.572 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 86.87 30.64 20.16 Favored Glycine 0 CA--C 1.524 0.594 0 N-CA-C 111.224 -0.751 . . . . 0.0 111.224 177.339 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -95.3 -165.83 35.17 Favored Glycine 0 CA--C 1.523 0.583 0 N-CA-C 111.254 -0.738 . . . . 0.0 111.254 178.871 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 64' ' ' GLN . . . . . 0.415 ' HG3' ' HG3' ' A' ' 66' ' ' GLU . 64.3 tp60 -125.12 120.03 30.26 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.769 0.318 . . . . 0.0 111.211 177.503 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 67.1 ttp85 -80.08 128.82 33.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.208 174.428 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 66' ' ' GLU . . . . . 0.415 ' HG3' ' HG3' ' A' ' 64' ' ' GLN . 56.7 mt-10 -141.92 60.9 1.47 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.203 177.585 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 30.8 t -60.93 129.89 43.7 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.149 -176.556 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 92.4 mm-40 -112.99 165.01 12.75 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.221 177.261 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -84.95 81.64 8.81 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.214 176.018 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 97.4 mt -61.91 122.6 73.05 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.218 -173.336 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_exo -59.95 146.4 95.98 Favored 'Trans proline' 0 N--CA 1.458 -0.574 0 C-N-CA 121.69 1.593 . . . . 0.0 111.201 -179.163 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 96.7 mt -74.03 -42.09 52.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.247 173.147 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 98.9 m-20 -67.05 -35.02 78.96 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.139 -177.512 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 64.8 tp60 -77.38 -61.09 2.1 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.212 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 56.0 t80 -101.56 -59.72 1.65 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.234 -178.936 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 123.15 39.53 0.51 Allowed Glycine 0 CA--C 1.523 0.556 0 N-CA-C 111.167 -0.773 . . . . 0.0 111.167 -173.718 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 12.0 t -140.05 -174.7 4.0 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.821 0.343 . . . . 0.0 111.149 179.464 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -127.16 -134.0 3.89 Favored Glycine 0 CA--C 1.523 0.552 0 N-CA-C 111.194 -0.763 . . . . 0.0 111.194 176.538 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 53.3 p-10 -104.96 23.76 13.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.77 0.319 . . . . 0.0 111.219 177.669 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 59.5 p -93.8 -18.25 22.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.233 179.72 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -77.3 159.52 29.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.196 178.034 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 90.1 mmt-85 -131.35 120.02 22.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.146 -179.837 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 81.7 mt-30 -95.71 140.91 29.83 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.221 -179.352 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 76.9 m-85 -136.21 135.89 39.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.243 -175.661 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 97.5 t -103.27 117.7 49.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.24 178.621 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 91.2 mt -122.73 160.35 26.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.214 177.869 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 84.6 mmm 61.96 29.96 17.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.21 175.177 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 96.5 m-20 65.02 34.71 8.62 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.218 177.185 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 96.17 -0.88 62.36 Favored Glycine 0 CA--C 1.523 0.584 0 N-CA-C 111.213 -0.755 . . . . 0.0 111.213 174.599 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -82.1 -20.85 37.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.814 0.34 . . . . 0.0 111.157 -178.843 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 67.2 tp -127.45 120.51 28.56 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.168 175.871 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 47.1 tptt -104.1 111.06 23.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.151 176.78 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 57.7 t -110.14 124.99 67.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.162 -177.588 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 60.0 mt -126.41 122.84 62.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.207 -179.625 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -93.22 140.07 14.89 Favored Glycine 0 CA--C 1.524 0.619 0 N-CA-C 111.182 -0.767 . . . . 0.0 111.182 178.519 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 91.5 m-85 -125.56 149.76 48.06 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.828 0.347 . . . . 0.0 111.168 176.655 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 96.2 m-20 -104.31 32.25 4.14 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.208 173.433 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 7.5 m-30 -64.97 147.22 53.84 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.223 -173.565 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 60.3 p -74.9 -177.27 3.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.262 177.823 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 75.8 p -73.81 -7.23 51.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.238 174.149 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 96.4 mttt -98.75 -40.51 8.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.235 173.586 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 92.2 mtp -74.96 -15.28 60.68 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.168 -176.729 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 29.7 pt20 -63.65 -20.01 65.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.198 -179.679 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 93.3 p -66.16 -22.05 66.35 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.269 176.508 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 96.0 mt -66.6 -55.37 18.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.139 173.518 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 82.2 mt -61.77 -33.31 57.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.21 179.61 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 61.1 ttp180 -48.01 -39.64 20.28 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.211 177.161 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 98.0 m-20 -77.05 -9.85 58.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.149 -173.523 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 109' ' ' TYR . . . . . . . . . . . . . 77.6 m-85 -115.27 40.72 2.61 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.14 -175.723 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 87.2 p -140.02 154.82 47.23 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.176 -173.384 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 54.3 m-20 -116.7 -31.09 5.6 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.165 175.819 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 112' ' ' LEU . . . . . 0.406 ' C ' HD23 ' A' ' 112' ' ' LEU . 10.4 tt -138.22 130.06 28.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.181 177.962 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 95.8 t -103.6 135.36 41.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.191 -172.698 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 80.7 mt -126.9 116.77 45.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.19 -176.355 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 21.1 t -107.69 116.25 31.6 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.172 -176.03 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 116' ' ' HIS . . . . . 0.411 ' HB3' HD22 ' A' ' 21' ' ' LEU . 43.4 m170 -101.35 123.71 45.86 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.2 178.596 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . 52.86 47.8 23.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.214 172.499 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 178.37 171.35 41.59 Favored Glycine 0 CA--C 1.522 0.516 0 N-CA-C 111.17 -0.772 . . . . 0.0 111.17 179.603 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 70.9 p -132.21 -2.84 3.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.853 0.359 . . . . 0.0 111.178 -176.871 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -60.8 -34.1 85.61 Favored Glycine 0 CA--C 1.523 0.549 0 N-CA-C 111.176 -0.77 . . . . 0.0 111.176 -174.778 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 87.5 p -87.1 -10.13 53.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.775 0.321 . . . . 0.0 111.19 -174.453 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 122' ' ' ILE . . . . . . . . . . . . . 84.8 mt -74.33 -41.85 50.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.211 -173.776 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 50.5 tp -63.73 -35.38 80.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.22 176.274 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 99.6 m-20 -66.48 -38.9 88.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.182 176.005 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 31.8 t -63.98 -37.77 88.64 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.248 174.359 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 61.5 tp -63.71 -44.04 94.8 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.236 177.508 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -67.99 -33.74 75.21 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.197 176.72 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 128' ' ' LEU . . . . . 0.411 ' O ' ' HB2' ' A' ' 129' ' ' ASN . 18.0 tp -72.91 -24.67 60.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.192 174.582 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 129' ' ' ASN . . . . . 0.411 ' HB2' ' O ' ' A' ' 128' ' ' LEU . 78.5 m-20 69.57 42.32 1.14 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.199 179.711 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 39.7 mmtm -119.95 157.46 52.66 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.186 179.176 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_exo -54.4 148.82 40.67 Favored 'Trans proline' 0 N--CA 1.457 -0.622 0 C-N-CA 121.68 1.587 . . . . 0.0 111.242 178.12 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 132' ' ' LEU . . . . . 0.526 HD13 ' C ' ' A' ' 132' ' ' LEU . 3.3 tm? -139.1 114.72 9.89 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.201 -166.721 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 133' ' ' ILE . . . . . 0.426 ' HA ' ' HB2' ' A' ' 159' ' ' TRP . 76.4 mt -104.71 139.28 26.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.218 177.037 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 98.0 t -118.55 123.91 72.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.224 175.316 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 135' ' ' CYS . . . . . 0.407 ' HB3' ' HA ' ' A' ' 116' ' ' HIS . 52.6 t -103.16 127.43 50.46 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.207 177.194 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 30.6 m -88.44 170.23 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.14 179.211 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 36.6 p30 . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.238 179.895 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.076 0 CA-C-O 120.793 0.33 . . . . 0.0 111.185 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 94.0 m-20 -62.92 -38.78 92.32 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.23 176.793 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 151' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -69.38 -33.97 73.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.166 179.172 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 152' ' ' PHE . . . . . . . . . . . . . 12.2 m-30 -63.18 -36.92 85.24 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.208 174.588 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 153' ' ' VAL . . . . . . . . . . . . . 65.2 t -65.87 -38.95 83.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.207 173.289 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -64.44 -31.32 72.48 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.267 178.68 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 155' ' ' LEU . . . . . . . . . . . . . 85.1 mt -64.78 -41.89 95.51 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.188 176.681 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . 95.43 3.91 61.11 Favored Glycine 0 CA--C 1.523 0.59 0 N-CA-C 111.223 -0.751 . . . . 0.0 111.223 166.172 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 157' ' ' TYR . . . . . 0.434 ' CD2' ' O ' ' A' ' 157' ' ' TYR . 67.6 t80 -146.0 25.05 1.3 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.785 0.326 . . . . 0.0 111.173 178.826 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 158' ' ' VAL . . . . . . . . . . . . . 60.7 t -136.77 118.06 18.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.215 -177.961 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 159' ' ' TRP . . . . . 0.426 ' HB2' ' HA ' ' A' ' 133' ' ' ILE . 22.1 m95 -87.66 144.06 26.85 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.211 168.276 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 160' ' ' SER . . . . . . . . . . . . . 45.6 t -101.73 108.91 20.57 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.207 -176.446 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 161' ' ' CYS . . . . . . . . . . . . . 15.7 t -99.94 125.08 45.9 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.183 175.713 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -72.36 155.04 91.74 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.234 176.712 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 163' ' ' PRO . . . . . . . . . . . . . 86.9 Cg_endo -78.35 60.01 7.32 Favored 'Trans proline' 0 N--CA 1.458 -0.577 0 C-N-CA 121.76 1.64 . . . . 0.0 111.136 -179.241 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 164' ' ' THR . . . . . . . . . . . . . 24.1 p -133.76 -176.92 4.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.224 177.338 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 165' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -82.82 -4.09 57.58 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.155 176.993 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 166' ' ' THR . . . . . . . . . . . . . 75.4 p -127.09 -8.6 5.94 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.19 -176.331 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 167' ' ' GLY . . . . . . . . . . . . . . . -61.81 -38.59 96.22 Favored Glycine 0 CA--C 1.523 0.567 0 N-CA-C 111.177 -0.769 . . . . 0.0 111.177 -179.087 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 168' ' ' LEU . . . . . . . . . . . . . 26.5 tp -70.83 -31.17 67.8 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.793 0.33 . . . . 0.0 111.158 -179.428 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 96.7 mt -57.58 -44.86 85.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.188 175.598 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 170' ' ' ALA . . . . . . . . . . . . . . . -64.66 -35.08 79.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.229 178.913 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 171' ' ' GLY . . . . . . . . . . . . . . . -62.82 -42.27 99.71 Favored Glycine 0 CA--C 1.523 0.575 0 N-CA-C 111.182 -0.767 . . . . 0.0 111.182 176.855 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 85.2 mt -66.95 -34.88 78.73 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.878 0.37 . . . . 0.0 111.183 177.703 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 173' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -65.23 -38.46 90.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.254 173.984 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -66.49 -36.76 83.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.227 -179.379 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 60.0 p -65.04 -22.58 67.0 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.139 -179.274 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 176' ' ' GLN . . . . . . . . . . . . . 92.5 mm-40 -100.21 -27.21 13.63 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.122 -177.423 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 177' ' ' THR . . . . . . . . . . . . . 95.7 m -73.6 -47.25 41.8 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.197 178.435 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 178' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -127.75 156.93 41.66 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.152 -176.439 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 179' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -105.0 135.42 46.38 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.274 -177.468 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 180' ' ' LEU . . . . . . . . . . . . . 97.7 mt . . . . . 0 C--N 1.328 -0.341 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.186 178.806 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 61.3 mt-10 . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.81 0.338 . . . . 0.0 111.223 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 36.4 ttmt -54.72 120.18 6.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.127 -178.388 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 7' ' ' ALA . . . . . 0.431 ' HA ' ' O ' ' A' ' 41' ' ' ARG . . . -107.83 131.47 54.45 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.185 -165.92 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 59.5 tp -118.17 115.69 25.3 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.237 -177.964 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 86.8 t80 -93.93 125.18 38.4 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.194 -175.372 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 72.7 t -107.17 109.55 28.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.215 174.109 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 88.2 m -69.11 134.28 49.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.232 -179.651 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 77.9 m -131.66 65.41 1.57 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.197 171.556 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -85.44 -164.92 39.62 Favored Glycine 0 CA--C 1.522 0.503 0 N-CA-C 111.195 -0.762 . . . . 0.0 111.195 -175.304 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -67.52 -25.81 66.02 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.816 0.341 . . . . 0.0 111.206 -175.89 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 71.4 p -105.48 4.79 30.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.204 -176.157 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 59.9 t -124.73 104.24 30.7 Favored Pre-proline 0 C--N 1.328 -0.36 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.18 179.52 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.416 ' HB2' ' HB2' ' A' ' 20' ' ' LYS . 50.4 Cg_exo -55.77 141.7 84.37 Favored 'Trans proline' 0 N--CA 1.458 -0.573 0 C-N-CA 121.708 1.605 . . . . 0.0 111.187 177.893 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 18' ' ' PHE . . . . . 0.556 ' HB3' ' HD3' ' A' ' 19' ' ' PRO . 51.1 t80 -65.8 -52.23 43.41 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.216 -173.229 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 19' ' ' PRO . . . . . 0.556 ' HD3' ' HB3' ' A' ' 18' ' ' PHE . 70.3 Cg_endo -75.48 -21.67 14.75 Favored 'Trans proline' 0 N--CA 1.457 -0.639 0 C-N-CA 121.699 1.599 . . . . 0.0 111.251 -172.556 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.416 ' HB2' ' HB2' ' A' ' 17' ' ' PRO . 87.6 tttt -55.17 -44.01 74.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.216 -175.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 75.3 mt -109.85 -34.44 6.44 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.24 -174.023 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 53.7 t -69.1 -45.88 79.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.177 -173.197 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 59.6 p -66.98 -16.42 64.34 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.192 -176.435 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' CYS . . . . . 0.475 ' SG ' ' HB3' ' A' ' 165' ' ' GLU . 80.9 m -90.96 -45.85 8.5 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.217 177.882 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 55.4 t -60.78 -29.87 46.03 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.229 177.085 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 77.6 mt -98.96 16.31 22.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.163 -178.344 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 48.8 p -73.37 163.69 27.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.216 175.46 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 99.2 m-20 -62.01 -31.36 71.74 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.177 178.449 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -76.65 -47.36 22.41 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.262 -178.95 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 7.6 m-85 -65.7 -44.94 84.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.215 -177.406 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 63.9 m -60.65 -41.79 95.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.223 -178.779 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 66.6 tt0 -61.63 -45.98 91.74 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.154 176.419 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 73.1 mm-40 -64.74 -37.85 88.99 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.165 179.17 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 69.5 mt -65.78 -41.42 92.03 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.233 -177.24 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 35.8 mm -57.91 -38.04 64.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.25 173.729 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 99.3 mm-40 -75.0 -25.76 59.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.193 177.643 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 21.9 m-30 -87.8 -8.9 55.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.219 179.809 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 100.95 -3.66 55.8 Favored Glycine 0 CA--C 1.524 0.598 0 N-CA-C 111.218 -0.753 . . . . 0.0 111.218 174.044 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 83.2 m-85 -81.92 117.85 22.49 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.843 0.354 . . . . 0.0 111.164 -178.346 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 30.2 m -131.49 -6.78 2.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.112 -173.992 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' ARG . . . . . 0.431 ' O ' ' HA ' ' A' ' 7' ' ' ALA . 35.6 ttm180 -123.05 92.42 3.7 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.138 178.861 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.416 ' HB2' HG22 ' A' ' 93' ' ' VAL . 30.2 mt -92.57 135.15 34.32 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.21 -176.232 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 86.0 mt -115.37 113.4 43.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.152 -176.267 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 47.6 mm -112.74 113.76 45.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.23 -174.189 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 59.9 tt0 -76.14 126.91 31.86 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.176 174.38 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 8.6 m-30 -73.25 140.44 46.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.246 175.088 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -95.1 -146.69 21.32 Favored Glycine 0 CA--C 1.524 0.619 0 N-CA-C 111.126 -0.79 . . . . 0.0 111.126 178.32 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' ARG . . . . . 0.663 ' O ' ' CB ' ' A' ' 49' ' ' ASN . 59.0 ttt85 -81.81 60.07 4.54 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.833 0.349 . . . . 0.0 111.267 178.595 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 49' ' ' ASN . . . . . 0.663 ' CB ' ' O ' ' A' ' 48' ' ' ARG . 60.7 t30 106.92 67.99 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.189 172.157 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 98.5 m-85 -134.83 14.12 3.64 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.143 178.512 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 74.3 m -61.13 -47.56 85.67 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.196 176.423 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 93.9 p -82.5 -20.85 35.97 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.241 179.468 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 77.0 mm-40 -69.12 -42.96 75.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.186 177.718 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.508 ' CD1' ' O ' ' A' ' 54' ' ' PHE . 1.1 t80 -68.1 -39.83 82.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.213 173.014 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 83.0 tt0 -52.94 -39.86 63.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.198 173.68 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 62.8 m170 -66.93 -34.85 78.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.222 -179.156 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 91.7 mt -63.06 -33.7 76.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.226 -176.908 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.401 HG21 ' HB3' ' A' ' 84' ' ' TYR . 96.2 t -96.67 -36.73 6.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.17 -176.13 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 72.8 tp60 -64.9 -37.9 89.19 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.193 179.554 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -71.23 -30.82 66.82 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.2 177.245 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -71.98 -28.89 63.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.257 174.114 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 89.78 29.31 16.18 Favored Glycine 0 CA--C 1.523 0.541 0 N-CA-C 111.157 -0.777 . . . . 0.0 111.157 179.377 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -86.1 -168.28 44.59 Favored Glycine 0 CA--C 1.523 0.554 0 N-CA-C 111.268 -0.733 . . . . 0.0 111.268 179.058 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 97.7 mm-40 -109.69 165.28 11.8 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.838 0.351 . . . . 0.0 111.225 178.439 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 47.6 ptt85 -167.31 154.71 8.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.179 -176.087 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 88.3 tt0 -159.7 130.9 5.96 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.234 177.8 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 74.6 m -69.89 145.29 52.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.141 -178.665 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 91.8 mm-40 -124.89 145.11 49.98 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.169 -173.625 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -93.41 70.29 4.31 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.221 176.464 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 41.4 mm -71.28 131.17 86.98 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.202 -176.007 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -72.71 139.81 31.41 Favored 'Trans proline' 0 N--CA 1.458 -0.586 0 C-N-CA 121.706 1.604 . . . . 0.0 111.17 -176.464 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 96.4 mt -82.88 -43.03 18.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.191 178.438 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 99.1 m-20 -68.09 -40.09 82.73 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.168 -177.681 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 71.3 tp60 -85.03 -65.35 1.02 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.213 -176.909 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 48.2 t80 -80.73 -45.72 16.63 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.212 -171.195 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 115.68 16.0 7.17 Favored Glycine 0 CA--C 1.522 0.528 0 N-CA-C 111.205 -0.758 . . . . 0.0 111.205 170.761 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 77' ' ' CYS . . . . . 0.469 ' SG ' HD12 ' A' ' 106' ' ' ILE . 86.9 m -131.27 160.09 35.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.76 0.314 . . . . 0.0 111.192 179.599 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -77.22 178.93 50.97 Favored Glycine 0 CA--C 1.523 0.558 0 N-CA-C 111.187 -0.765 . . . . 0.0 111.187 -178.4 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 58.8 p-10 -92.31 15.12 14.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.797 0.332 . . . . 0.0 111.175 -176.654 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 73.4 p -92.75 2.63 56.64 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.159 174.539 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -66.46 154.56 39.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.173 176.221 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 41.4 ttm180 -145.88 132.73 20.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.216 -176.956 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 59.8 tt0 -84.72 135.59 34.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.166 176.353 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 84' ' ' TYR . . . . . 0.401 ' HB3' HG21 ' A' ' 58' ' ' VAL . 97.0 m-85 -120.15 147.28 45.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.21 174.62 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 92.8 t -113.76 118.78 59.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.163 -174.513 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 94.9 mt -125.13 169.64 11.99 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.19 179.724 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 97.3 mmm 60.03 30.01 19.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.172 176.834 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 96.4 m-20 64.88 34.58 9.08 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.194 176.019 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 97.32 -5.06 62.65 Favored Glycine 0 CA--C 1.523 0.547 0 N-CA-C 111.247 -0.741 . . . . 0.0 111.247 175.102 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -80.01 -25.7 40.15 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.781 0.324 . . . . 0.0 111.219 -178.713 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 46.1 tp -119.91 123.84 44.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.142 -176.765 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -105.13 116.34 31.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.166 176.099 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 93' ' ' VAL . . . . . 0.416 HG22 ' HB2' ' A' ' 42' ' ' LEU . 39.2 t -121.76 114.58 43.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.134 -179.501 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 67.3 mt -113.1 125.71 70.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.17 -174.921 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -88.48 132.02 10.99 Favored Glycine 0 CA--C 1.524 0.619 0 N-CA-C 111.228 -0.749 . . . . 0.0 111.228 174.954 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 95.9 m-85 -119.4 145.65 46.04 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.773 0.32 . . . . 0.0 111.151 -174.665 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 65.8 t0 -105.9 102.74 12.16 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.233 176.646 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 39.0 p90 -159.53 155.04 25.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.209 -178.422 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 59.8 p -85.58 -178.53 6.69 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.243 -173.225 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 82.7 p -73.5 -14.65 61.26 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.2 179.6 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -85.39 -10.69 55.92 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.128 177.905 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 67.5 mtt -105.0 3.05 30.19 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.164 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 90.0 mt-30 -65.77 -41.89 91.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.167 179.449 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 65.1 m -61.47 -32.47 72.48 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.188 178.212 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 96.5 mt -71.74 -50.3 39.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.256 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 106' ' ' ILE . . . . . 0.469 HD12 ' SG ' ' A' ' 77' ' ' CYS . 17.8 tt -70.37 -21.29 23.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.143 -177.104 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 96.1 mtt180 -72.08 -10.49 59.85 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.113 178.889 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -75.55 -12.49 60.23 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.144 170.718 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 109' ' ' TYR . . . . . . . . . . . . . 94.0 m-85 -112.44 36.99 3.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.22 179.886 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 110' ' ' SER . . . . . 0.4 ' HA ' ' HB3' ' A' ' 7' ' ' ALA . 91.7 p -145.11 160.05 42.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.213 -177.434 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 64.7 m-20 -110.56 -39.66 4.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.213 -179.225 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 59.4 tp -125.99 121.98 34.61 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.207 177.118 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 99.1 t -94.86 136.05 27.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.219 -179.295 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 86.3 mt -112.24 124.75 69.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.232 172.978 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 43.1 t -140.06 143.12 36.19 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.215 174.408 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 52.3 t-80 -76.72 153.19 35.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.191 161.656 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -61.41 135.44 57.69 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.2 176.014 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 111.7 32.74 2.4 Favored Glycine 0 CA--C 1.524 0.636 0 N-CA-C 111.196 -0.762 . . . . 0.0 111.196 177.15 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 43.8 p -125.03 -26.69 3.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.773 0.321 . . . . 0.0 111.199 -179.536 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 79.73 10.05 86.16 Favored Glycine 0 CA--C 1.523 0.536 0 N-CA-C 111.18 -0.768 . . . . 0.0 111.18 -175.922 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 68.9 m -70.59 -20.14 62.8 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.821 0.343 . . . . 0.0 111.19 -173.937 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 122' ' ' ILE . . . . . . . . . . . . . 7.8 tp -53.11 -30.84 17.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.146 176.115 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 98.2 mt -82.25 -24.4 34.81 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.208 178.915 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 35.8 t70 -74.65 -42.37 58.64 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.247 174.941 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 83.0 p -65.16 -25.4 67.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.23 177.125 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 65.7 tp -64.76 -55.37 20.24 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.175 175.81 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 37.6 ptt180 -68.52 -20.32 64.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.209 -179.861 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 97.7 mt -83.65 -26.79 29.6 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.187 172.178 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 77.7 m-20 61.41 39.23 15.4 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.132 -174.458 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 96.6 mttt -121.03 145.68 42.28 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.191 -172.204 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 77.2 Cg_exo -55.0 143.68 72.0 Favored 'Trans proline' 0 N--CA 1.457 -0.631 0 C-N-CA 121.673 1.582 . . . . 0.0 111.296 -179.266 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 58.1 tp -139.32 120.25 14.46 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.229 -176.357 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 89.9 mt -81.71 124.92 39.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.227 166.931 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 95.4 t -116.64 111.57 35.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.221 179.405 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 135' ' ' CYS . . . . . . . . . . . . . 50.0 t -92.51 115.52 28.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.201 176.035 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 25.5 m -77.18 161.11 4.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.167 -171.603 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 46.3 p30 . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.149 177.857 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.838 0.352 . . . . 0.0 111.203 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 99.5 m-20 -64.99 -30.93 71.95 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.174 176.515 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 151' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -71.39 -33.04 69.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.232 175.603 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 152' ' ' PHE . . . . . . . . . . . . . 11.8 m-30 -72.97 -28.17 62.25 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.259 176.826 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 153' ' ' VAL . . . . . . . . . . . . . 53.6 t -61.09 -35.73 67.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.245 169.771 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 76.6 mm-40 -69.31 -30.14 68.14 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.154 177.2 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 155' ' ' LEU . . . . . . . . . . . . . 82.9 mt -64.71 -26.82 68.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.173 177.468 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . 105.34 -31.39 8.56 Favored Glycine 0 CA--C 1.523 0.586 0 N-CA-C 111.192 -0.763 . . . . 0.0 111.192 164.143 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 157' ' ' TYR . . . . . 0.422 ' HA ' ' HB3' ' A' ' 180' ' ' LEU . 17.4 p90 -139.08 8.14 2.48 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.839 0.352 . . . . 0.0 111.194 -173.24 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 158' ' ' VAL . . . . . . . . . . . . . 58.7 t -109.06 140.07 29.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.226 -178.75 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 159' ' ' TRP . . . . . . . . . . . . . 66.2 t-105 -133.45 133.09 41.86 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.206 177.709 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 160' ' ' SER . . . . . . . . . . . . . 30.0 t -83.22 130.19 35.07 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.206 177.686 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 161' ' ' CYS . . . . . . . . . . . . . 88.6 m -115.02 149.09 38.0 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.211 172.01 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -60.28 156.34 40.83 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.178 -175.575 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 163' ' ' PRO . . . . . . . . . . . . . 78.3 Cg_endo -74.95 70.27 5.3 Favored 'Trans proline' 0 N--CA 1.459 -0.555 0 C-N-CA 121.675 1.583 . . . . 0.0 111.204 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 164' ' ' THR . . . . . . . . . . . . . 14.8 t -152.63 169.07 23.6 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.217 178.89 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 165' ' ' GLU . . . . . 0.475 ' HB3' ' SG ' ' A' ' 24' ' ' CYS . 98.6 mt-10 -71.25 -32.68 69.02 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.156 -168.363 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 166' ' ' THR . . . . . . . . . . . . . 62.2 p -112.17 24.33 12.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.175 -174.647 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 167' ' ' GLY . . . . . . . . . . . . . . . -79.97 -9.67 86.44 Favored Glycine 0 CA--C 1.523 0.542 0 N-CA-C 111.167 -0.773 . . . . 0.0 111.167 -179.679 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 168' ' ' LEU . . . . . . . . . . . . . 93.5 mt -64.25 -25.89 68.26 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.782 0.325 . . . . 0.0 111.177 -175.149 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 169' ' ' ILE . . . . . 0.4 HD12 ' HA ' ' A' ' 169' ' ' ILE . 10.4 tp -62.92 -22.83 31.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.147 -175.788 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 170' ' ' ALA . . . . . . . . . . . . . . . -64.99 -42.59 94.39 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.194 177.503 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 171' ' ' GLY . . . . . . . . . . . . . . . -76.49 -33.29 48.43 Favored Glycine 0 CA--C 1.522 0.531 0 N-CA-C 111.222 -0.751 . . . . 0.0 111.222 179.129 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 98.1 mt -65.78 -36.6 83.98 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.855 0.36 . . . . 0.0 111.271 177.233 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 173' ' ' ARG . . . . . . . . . . . . . 79.4 ttt180 -72.83 -38.57 67.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.157 173.504 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -61.3 -35.54 77.62 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.182 -178.358 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 52.5 p -63.17 -23.72 67.56 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.216 179.18 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 176' ' ' GLN . . . . . . . . . . . . . 92.5 mm-40 -100.88 -25.7 14.0 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.236 -178.453 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 177' ' ' THR . . . . . . . . . . . . . 90.5 m -65.98 -41.21 91.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.24 177.995 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 178' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -148.16 135.79 20.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.196 -179.881 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 179' ' ' LYS . . . . . . . . . . . . . 88.9 tttt -58.03 121.18 9.99 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.138 178.121 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 180' ' ' LEU . . . . . 0.422 ' HB3' ' HA ' ' A' ' 157' ' ' TYR . 97.4 mt . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.181 -179.579 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 33.8 mt-10 . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.851 0.358 . . . . 0.0 111.159 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 43.6 tptt -50.04 109.99 0.35 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.204 -171.854 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -109.11 128.21 54.8 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.131 -167.354 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 61.2 tp -109.05 111.58 23.3 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.187 176.57 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' PHE . . . . . 0.469 ' HA ' ' HB ' ' A' ' 43' ' ' ILE . 43.9 t80 -89.82 110.02 20.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.208 -176.111 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 62.1 t -115.86 127.29 73.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.226 178.849 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 30.8 m -124.45 129.99 51.66 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.231 169.654 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 95.6 m -81.63 146.14 30.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.224 -177.221 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -80.54 176.58 54.63 Favored Glycine 0 CA--C 1.523 0.539 0 N-CA-C 111.211 -0.756 . . . . 0.0 111.211 178.144 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -92.42 -15.66 26.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.79 0.328 . . . . 0.0 111.247 -177.455 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 69.4 m -61.79 -44.71 96.34 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.162 -177.618 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 84.9 t -109.94 135.02 20.51 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.125 -178.776 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 81.6 Cg_exo -48.95 137.82 27.73 Favored 'Trans proline' 0 N--CA 1.458 -0.571 0 C-N-CA 121.748 1.632 . . . . 0.0 111.188 179.208 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' PHE . . . . . 0.54 ' N ' ' CD ' ' A' ' 19' ' ' PRO . 84.3 t80 -60.22 -42.34 89.02 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.188 -176.93 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 19' ' ' PRO . . . . . 0.54 ' CD ' ' N ' ' A' ' 18' ' ' PHE . 76.8 Cg_exo -53.14 -29.92 47.93 Favored 'Trans proline' 0 N--CA 1.458 -0.592 0 C-N-CA 121.731 1.621 . . . . 0.0 111.133 178.988 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -86.29 -36.19 19.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.187 -179.92 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 81.6 mt -76.16 -28.93 57.55 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.228 -177.746 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 3.4 p -75.47 -22.98 16.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.169 -177.005 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 60.2 p -76.6 -14.94 59.95 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.197 177.957 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 76.3 m -85.01 -15.0 45.65 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.231 -179.375 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 33.2 m -111.79 -11.63 11.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.245 178.207 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 90.6 mt -101.1 6.59 43.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.262 173.131 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 3.6 t -60.02 141.69 55.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.146 174.884 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 86.0 m-20 -63.1 -40.35 97.38 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.199 176.127 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -69.04 -39.03 79.42 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.226 178.117 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 73.6 t80 -59.4 -48.75 80.45 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.203 174.524 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 68.9 m -65.47 -39.16 91.65 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.268 -177.369 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 72.4 tp60 -62.48 -45.22 94.01 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.236 177.466 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 61.4 mm-40 -68.25 -38.19 81.55 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.211 176.707 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 43.4 tp -60.15 -40.75 90.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.221 179.458 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 92.9 mt -62.65 -39.96 86.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.261 171.938 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 71.9 tp60 -62.75 -30.03 71.14 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.24 178.041 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 26.4 m-85 -85.96 1.56 49.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.222 -179.34 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 84.75 19.82 59.13 Favored Glycine 0 CA--C 1.523 0.553 0 N-CA-C 111.186 -0.765 . . . . 0.0 111.186 168.796 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 68.0 m-85 -94.63 145.16 25.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.798 0.333 . . . . 0.0 111.173 178.331 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 84.4 t -116.36 -40.1 2.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.206 -171.71 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 88.3 mtt180 -123.02 103.71 8.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.215 -172.086 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 57.9 tp -78.43 113.81 16.76 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.218 175.17 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.469 ' HB ' ' HA ' ' A' ' 9' ' ' PHE . 96.8 mt -94.8 124.6 47.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.212 179.79 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 76.9 mt -113.78 100.42 10.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.245 176.254 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 69.9 tp60 -105.51 98.04 7.8 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.137 -176.042 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 75.9 t80 -120.17 130.01 54.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.211 -174.771 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -78.12 164.61 51.48 Favored Glycine 0 CA--C 1.523 0.56 0 N-CA-C 111.18 -0.768 . . . . 0.0 111.18 -176.064 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 76.8 ttt180 75.03 -95.04 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.78 0.324 . . . . 0.0 111.236 177.631 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 61.0 t-20 -133.41 93.16 3.1 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.2 -172.639 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 41.1 t80 -79.55 130.21 35.18 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.132 176.262 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 30.8 t -57.32 109.59 0.7 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.153 175.03 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 58.3 m -110.72 34.08 4.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.143 -169.484 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 22.9 tt0 -144.79 85.56 1.77 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.226 173.752 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 21.7 m-30 -109.12 29.56 7.39 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.212 172.882 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 79.5 tt0 -60.37 -37.72 81.63 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.186 177.061 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 51.0 p-80 -66.08 -23.49 66.53 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.206 179.064 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 59.2 tp -75.63 -55.04 6.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.146 177.489 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 19.1 m -67.65 -22.43 28.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.197 -177.724 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 72.0 tp60 -61.5 -33.87 74.53 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.192 175.782 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 95.4 mt-10 -90.65 -28.05 18.64 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.212 179.747 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 10.9 mpt_? -90.33 4.26 51.3 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.177 -175.55 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 74.99 39.29 38.33 Favored Glycine 0 CA--C 1.524 0.601 0 N-CA-C 111.144 -0.783 . . . . 0.0 111.144 169.367 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -135.43 -174.37 13.38 Favored Glycine 0 CA--C 1.523 0.547 0 N-CA-C 111.151 -0.78 . . . . 0.0 111.151 178.957 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 94.4 mm-40 -119.97 -179.98 4.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.868 0.365 . . . . 0.0 111.183 178.431 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 8.1 ppt_? -140.53 149.76 42.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.173 175.735 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 42.6 tt0 -152.4 130.72 12.05 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.206 -178.274 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 29.0 t -87.09 127.22 35.13 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.135 172.621 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 87.6 mt-30 -125.92 152.61 45.39 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.241 -171.602 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -115.14 110.15 19.09 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.258 175.481 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 46.6 mm -101.14 132.85 21.43 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.149 -165.929 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_exo -50.04 124.55 12.91 Favored 'Trans proline' 0 N--CA 1.459 -0.523 0 C-N-CA 121.677 1.585 . . . . 0.0 111.138 175.026 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 96.8 mt -73.45 -46.17 49.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.21 -176.275 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 99.4 m-20 -63.92 -38.15 90.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.208 -175.76 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 70.8 tp60 -78.2 -46.66 19.88 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.187 -174.603 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 85.2 m-85 -113.8 -23.65 9.55 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.255 -166.743 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 93.96 -7.04 73.33 Favored Glycine 0 CA--C 1.524 0.596 0 N-CA-C 111.206 -0.758 . . . . 0.0 111.206 177.627 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 77.2 m -95.08 155.07 16.88 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.828 0.347 . . . . 0.0 111.178 -179.131 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -97.37 -148.98 24.78 Favored Glycine 0 CA--C 1.523 0.543 0 N-CA-C 111.214 -0.754 . . . . 0.0 111.214 -174.071 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 53.5 p-10 -99.72 14.14 31.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.81 0.338 . . . . 0.0 111.234 -171.391 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 64.6 p -127.57 70.47 1.32 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.201 176.192 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -112.41 122.23 47.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.198 173.79 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 8.9 mmm180 -103.6 116.67 32.79 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.184 -175.746 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 35.7 tt0 -92.9 124.87 37.19 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.163 177.257 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 93.7 m-85 -124.96 143.81 50.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.2 175.486 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 98.6 t -111.6 123.31 67.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.243 176.286 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 94.3 mt -121.87 167.15 13.37 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.162 178.847 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 70.4 mmm 60.91 34.77 19.43 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.183 173.522 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 77.3 m-20 58.96 34.94 23.89 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.208 177.733 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 94.02 4.53 63.09 Favored Glycine 0 CA--C 1.523 0.567 0 N-CA-C 111.226 -0.75 . . . . 0.0 111.226 172.932 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -86.34 -18.94 30.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.756 0.312 . . . . 0.0 111.192 -178.286 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 53.0 tp -136.51 134.87 38.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.205 176.969 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 92.6 mttt -105.44 146.71 29.14 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.168 174.733 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 91.1 t -129.64 124.24 58.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.196 177.879 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 45.1 mm -114.68 113.98 45.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.232 178.19 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -102.43 146.67 16.91 Favored Glycine 0 CA--C 1.523 0.554 0 N-CA-C 111.218 -0.753 . . . . 0.0 111.218 179.203 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 90.2 m-85 -126.47 131.66 51.61 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.766 0.317 . . . . 0.0 111.161 178.393 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 57.7 t0 -115.1 88.32 2.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.213 -177.647 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 87.0 m-85 -134.29 -176.74 4.3 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.229 -178.803 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 72.8 p -76.61 -179.13 5.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.169 175.113 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 82.3 p -78.36 -7.67 57.57 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.256 179.372 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -88.13 -7.84 56.32 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.234 179.512 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 95.2 mtp -114.94 34.92 4.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.202 -179.772 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 28.7 mm100 -86.7 -16.39 36.62 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.159 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 104' ' ' SER . . . . . 0.501 ' O ' ' HB ' ' A' ' 105' ' ' ILE . 12.0 t -94.96 -164.46 1.17 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.202 -177.658 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 105' ' ' ILE . . . . . 0.501 ' HB ' ' O ' ' A' ' 104' ' ' SER . 86.6 mt 73.64 -65.03 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.183 178.237 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 95.8 mt -57.29 -28.94 31.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.205 -177.17 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 93.1 mtm-85 -59.89 -30.1 68.79 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.186 178.41 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -67.2 -21.57 65.76 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.176 179.2 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 109' ' ' TYR . . . . . . . . . . . . . 62.9 m-85 -96.59 -8.9 30.6 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.171 -177.054 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 83.5 p -86.01 169.71 12.95 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.249 -176.863 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 61.8 m-20 -110.77 -40.07 4.66 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.23 178.301 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 53.5 tp -127.46 129.95 48.39 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.207 175.655 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 94.9 t -108.19 120.38 59.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.234 -177.156 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 114' ' ' ILE . . . . . 0.438 HG12 ' HB ' ' A' ' 133' ' ' ILE . 85.3 mt -103.85 117.1 48.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.194 170.346 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 49.7 m -121.1 135.93 55.08 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.246 -177.986 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 116' ' ' HIS . . . . . 0.446 ' HA ' ' HB2' ' A' ' 135' ' ' CYS . 24.9 m170 -87.81 146.51 25.58 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.186 175.416 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -63.05 129.73 41.62 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.197 176.938 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 100.9 25.29 8.55 Favored Glycine 0 CA--C 1.524 0.619 0 N-CA-C 111.141 -0.784 . . . . 0.0 111.141 177.201 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 69.4 p -115.3 -40.97 3.35 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.867 0.365 . . . . 0.0 111.224 176.808 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 94.08 2.61 64.22 Favored Glycine 0 CA--C 1.524 0.652 0 N-CA-C 111.193 -0.763 . . . . 0.0 111.193 -177.028 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 86.4 p -90.78 -7.76 51.54 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.802 0.334 . . . . 0.0 111.143 177.886 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 122' ' ' ILE . . . . . 0.492 HG23 HD21 ' A' ' 132' ' ' LEU . 96.6 mt -63.78 -40.0 87.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.217 179.492 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 96.2 mt -75.37 -17.65 60.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.238 -173.513 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 31.1 t0 -69.39 -52.89 22.7 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.206 -176.087 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 11.2 t -57.06 -34.95 68.78 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.152 178.545 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 89.8 mt -63.01 -48.61 78.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.175 179.24 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 40.1 ptt180 -73.39 -19.98 60.86 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.221 -179.777 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 97.5 mt -85.64 -9.91 56.57 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.203 176.134 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 56.2 t30 63.57 36.18 11.24 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.155 -179.162 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 89.7 mttt -110.82 149.52 40.5 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.154 178.485 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 74.6 Cg_exo -50.95 131.11 33.61 Favored 'Trans proline' 0 N--CA 1.458 -0.567 0 C-N-CA 121.648 1.565 . . . . 0.0 111.178 178.928 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 132' ' ' LEU . . . . . 0.492 HD21 HG23 ' A' ' 122' ' ' ILE . 40.7 tp -131.31 126.53 35.59 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.182 -171.762 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 133' ' ' ILE . . . . . 0.438 ' HB ' HG12 ' A' ' 114' ' ' ILE . 74.4 mt -111.09 120.95 62.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.235 170.093 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 97.5 t -100.16 123.31 52.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.157 -179.334 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 135' ' ' CYS . . . . . 0.446 ' HB2' ' HA ' ' A' ' 116' ' ' HIS . 89.9 m -98.67 117.21 32.63 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.166 179.212 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 11.4 p -84.89 141.81 14.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.159 -176.159 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 19.7 p30 . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.176 179.36 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.797 0.332 . . . . 0.0 111.17 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 98.8 m-20 -62.51 -32.69 73.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.159 176.653 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 151' ' ' LYS . . . . . . . . . . . . . 75.0 mmtt -87.64 -23.59 24.2 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.269 -179.559 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 152' ' ' PHE . . . . . . . . . . . . . 12.8 m-85 -63.61 -36.96 85.54 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.134 168.146 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 153' ' ' VAL . . . . . . . . . . . . . 61.6 t -63.37 -38.3 81.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.208 171.585 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 76.8 mm-40 -64.84 -32.87 74.77 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.212 178.095 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 155' ' ' LEU . . . . . . . . . . . . . 90.1 mt -64.73 -50.64 66.12 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.142 174.785 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . 83.87 15.07 71.11 Favored Glycine 0 CA--C 1.523 0.538 0 N-CA-C 111.241 -0.744 . . . . 0.0 111.241 167.085 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 157' ' ' TYR . . . . . . . . . . . . . 25.4 p90 -139.92 6.73 2.22 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.886 0.374 . . . . 0.0 111.233 177.317 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 158' ' ' VAL . . . . . . . . . . . . . 7.9 p -159.57 141.08 4.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.219 -178.815 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 159' ' ' TRP . . . . . . . . . . . . . 26.4 m-90 -120.49 136.29 54.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.215 -174.771 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 160' ' ' SER . . . . . . . . . . . . . 28.1 t -100.45 147.19 26.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.149 -178.499 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 161' ' ' CYS . . . . . . . . . . . . . 19.8 p -154.87 -179.37 7.97 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.216 174.079 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -99.25 140.32 21.59 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.231 172.741 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 163' ' ' PRO . . . . . . . . . . . . . 87.4 Cg_endo -78.14 64.96 8.43 Favored 'Trans proline' 0 N--CA 1.458 -0.608 0 C-N-CA 121.689 1.593 . . . . 0.0 111.198 179.841 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 164' ' ' THR . . . . . . . . . . . . . 10.4 p -129.95 -179.93 5.5 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.198 176.619 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 165' ' ' GLU . . . . . . . . . . . . . 25.1 pt-20 -69.69 -8.42 47.67 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.198 179.66 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 166' ' ' THR . . . . . . . . . . . . . 78.6 p -116.6 -36.58 3.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.226 -178.106 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 167' ' ' GLY . . . . . . . . . . . . . . . -72.86 -36.7 57.45 Favored Glycine 0 CA--C 1.523 0.584 0 N-CA-C 111.249 -0.741 . . . . 0.0 111.249 -177.645 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 168' ' ' LEU . . . . . . . . . . . . . 95.4 mt -65.22 -35.14 80.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.844 0.355 . . . . 0.0 111.166 178.202 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 93.8 mt -65.07 -45.46 94.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.203 174.012 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 170' ' ' ALA . . . . . . . . . . . . . . . -62.72 -36.74 83.97 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.244 178.374 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 171' ' ' GLY . . . . . . . . . . . . . . . -64.89 -43.89 95.4 Favored Glycine 0 CA--C 1.523 0.537 0 N-CA-C 111.125 -0.79 . . . . 0.0 111.125 177.799 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 80.5 mt -59.42 -44.94 92.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.839 0.352 . . . . 0.0 111.182 177.577 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 173' ' ' ARG . . . . . . . . . . . . . 55.0 ttm-85 -65.56 -38.32 89.23 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.192 177.487 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -62.72 -40.64 97.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.18 -177.796 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 56.4 p -65.1 -19.97 66.24 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.207 -177.823 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 176' ' ' GLN . . . . . . . . . . . . . 81.5 mt-30 -108.64 -4.56 16.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.221 -179.718 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 177' ' ' THR . . . . . . . . . . . . . 71.3 m -70.06 -47.84 60.3 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.165 177.797 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 178' ' ' GLU . . . . . . . . . . . . . 72.6 mm-40 -95.28 149.45 21.32 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.214 178.569 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 179' ' ' LYS . . . . . . . . . . . . . 88.9 tttt -63.24 125.03 22.73 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.276 179.228 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 180' ' ' LEU . . . . . . . . . . . . . 56.9 tp . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.191 -178.469 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 5' ' ' GLU . . . . . 0.463 ' HG3' ' HB ' ' A' ' 40' ' ' VAL . 81.7 tt0 . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.816 0.341 . . . . 0.0 111.182 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 6' ' ' LYS . . . . . 0.43 ' HB2' ' HA ' ' A' ' 39' ' ' PHE . 90.8 mttt -99.55 153.42 19.05 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.199 179.852 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -110.06 130.2 55.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.214 178.441 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 51.9 tp -122.22 124.46 43.86 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.196 -174.996 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 42.3 m-85 -103.38 120.38 40.69 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.232 175.372 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 66.3 t -111.54 110.22 31.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.139 177.047 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 99.4 m -95.88 123.57 39.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.272 -174.415 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 41.3 t -77.6 131.5 37.84 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.205 175.789 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -74.82 173.29 52.37 Favored Glycine 0 CA--C 1.523 0.584 0 N-CA-C 111.245 -0.742 . . . . 0.0 111.245 177.275 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -67.95 -35.14 77.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.84 0.352 . . . . 0.0 111.197 -174.638 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 45.1 p -113.99 38.19 3.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.206 -174.813 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 98.1 t -105.61 118.4 55.59 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.237 -179.619 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_exo -54.67 135.0 65.36 Favored 'Trans proline' 0 N--CA 1.457 -0.619 0 C-N-CA 121.717 1.611 . . . . 0.0 111.174 177.278 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' PHE . . . . . 0.575 ' N ' ' CD ' ' A' ' 19' ' ' PRO . 94.4 m-85 -79.17 -40.96 1.57 Allowed Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.19 -177.767 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 19' ' ' PRO . . . . . 0.575 ' CD ' ' N ' ' A' ' 18' ' ' PHE . 64.0 Cg_exo -55.47 -27.34 58.51 Favored 'Trans proline' 0 N--CA 1.458 -0.592 0 C-N-CA 121.701 1.601 . . . . 0.0 111.158 178.855 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 91.5 mttt -86.91 -60.74 1.9 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.198 -177.456 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 50.4 tp -58.39 -40.31 82.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.178 -172.034 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 53.7 t -56.83 -43.99 81.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.335 178.912 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 95.6 p -80.49 -17.97 50.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.23 -175.823 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 93.9 m -85.23 -15.79 42.36 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.172 -179.911 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 30.7 m -109.33 -11.53 11.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.132 176.376 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 99.2 mt -113.58 22.06 14.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.211 172.644 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 4.3 t -63.73 147.77 50.84 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.226 174.941 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 99.8 m-20 -68.88 -18.34 64.12 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.133 178.7 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -97.44 -38.29 9.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.27 177.993 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 75.9 t80 -57.23 -49.86 74.68 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.114 176.446 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 81.0 m -64.96 -35.74 82.13 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.259 -172.967 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 87.3 mt-30 -64.19 -48.96 73.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.23 179.341 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 68.6 mm-40 -64.83 -42.62 94.79 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.222 176.362 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 33.3 tp -49.98 -50.07 48.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.211 177.027 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 94.4 mt -63.39 -40.02 87.5 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.19 -179.503 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 88.2 mt-30 -73.95 -12.28 60.6 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.125 -179.057 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 21.9 m-30 -89.68 -5.49 57.02 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.225 174.424 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 97.58 4.39 58.15 Favored Glycine 0 CA--C 1.523 0.58 0 N-CA-C 111.154 -0.778 . . . . 0.0 111.154 176.271 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.43 ' HA ' ' HB2' ' A' ' 6' ' ' LYS . 71.2 m-85 -94.37 122.66 37.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.757 0.313 . . . . 0.0 111.22 -176.734 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.463 ' HB ' ' HG3' ' A' ' 5' ' ' GLU . 97.2 t -118.0 -43.96 3.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.215 -177.182 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 97.7 mtt180 -87.4 83.87 7.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.244 -176.185 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 56.2 tp -81.36 94.56 6.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.17 -179.604 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 79.8 mt -96.79 111.71 27.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.165 -177.228 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 61.1 mt -105.78 117.23 51.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.183 -169.158 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 49.3 tt0 -100.07 106.25 17.98 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.176 -170.708 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 44.3 m-85 -110.06 170.5 8.03 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.218 175.476 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -94.99 -153.5 30.29 Favored Glycine 0 CA--C 1.524 0.594 0 N-CA-C 111.174 -0.77 . . . . 0.0 111.174 -179.281 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 85.6 mtp180 -83.51 -8.49 59.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.829 0.347 . . . . 0.0 111.202 -177.931 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 95.4 m-20 -91.21 5.68 48.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.159 -173.061 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 86.2 t80 -153.54 129.94 10.59 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.214 176.291 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 95.5 p -74.79 164.51 26.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.212 -178.37 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 68.6 m -84.89 60.0 5.93 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.248 179.258 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 53.3 mt-10 -122.98 113.05 18.55 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.142 -175.871 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 54.0 m-85 -120.93 11.13 10.99 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.179 177.607 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 86.8 tt0 -51.43 -40.0 58.49 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.273 -0.422 . . . . 0.0 111.144 -171.905 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 85.7 t60 -55.94 -59.36 5.0 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.214 -174.406 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 93.5 mt -74.98 -31.55 61.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.178 -174.751 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 51.4 t -70.13 -40.02 77.77 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.224 -178.66 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 97.9 mm-40 -77.14 -32.43 56.37 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.215 177.914 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 88.1 tt0 -57.01 -45.18 83.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.182 173.291 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 32.9 tpt180 -71.34 -41.68 69.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.168 173.404 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 115.03 120.84 3.42 Favored Glycine 0 CA--C 1.523 0.558 0 N-CA-C 111.201 -0.76 . . . . 0.0 111.201 177.707 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 170.42 -175.0 44.45 Favored Glycine 0 CA--C 1.522 0.511 0 N-CA-C 111.149 -0.781 . . . . 0.0 111.149 -178.999 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 97.4 mm-40 -110.1 156.12 20.99 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.809 0.338 . . . . 0.0 111.219 -179.268 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 7.2 tmm_? -134.96 130.29 35.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.172 -175.332 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 40.2 tt0 -144.83 125.96 14.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.185 177.198 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 66.7 m -71.45 144.82 49.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.216 178.076 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 91.7 mm-40 -127.75 121.48 30.37 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.212 -173.898 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -94.17 81.16 4.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.162 172.972 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.423 ' HB ' ' HB2' ' A' ' 77' ' ' CYS . 80.6 mt -94.51 125.38 51.99 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.134 -165.85 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 82.3 Cg_exo -52.53 135.04 54.58 Favored 'Trans proline' 0 N--CA 1.458 -0.611 0 C-N-CA 121.693 1.595 . . . . 0.0 111.22 -174.932 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 96.7 mt -74.29 -44.13 49.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.196 179.446 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 98.8 m-20 -64.98 -28.42 69.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.171 -176.572 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 99.0 mm-40 -90.05 -47.2 7.98 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.146 -177.275 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 90.5 m-85 -119.9 -40.51 2.73 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.157 -172.478 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 101.69 0.42 52.68 Favored Glycine 0 CA--C 1.523 0.578 0 N-CA-C 111.165 -0.774 . . . . 0.0 111.165 172.804 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 77' ' ' CYS . . . . . 0.423 ' HB2' ' HB ' ' A' ' 70' ' ' ILE . 80.3 m -75.06 -46.52 34.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.83 0.348 . . . . 0.0 111.214 -175.62 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 88.03 -161.32 31.67 Favored Glycine 0 CA--C 1.523 0.581 0 N-CA-C 111.169 -0.772 . . . . 0.0 111.169 176.899 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 96.6 m-20 -87.46 -19.7 27.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.867 0.365 . . . . 0.0 111.224 -178.774 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 25.8 p -82.88 57.99 4.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.23 -179.037 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -152.32 144.09 23.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.185 -175.284 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 81.6 mtt85 -139.98 146.77 39.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.253 -179.016 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 64.4 tt0 -100.21 121.05 40.84 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.154 -178.855 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 84' ' ' TYR . . . . . 0.552 ' HB2' ' HB ' ' A' ' 93' ' ' VAL . 65.4 m-85 -117.13 109.98 17.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.163 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 92.8 t -113.01 109.61 29.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.194 -177.584 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.477 ' N ' HD23 ' A' ' 86' ' ' LEU . 2.1 pt? -140.76 172.43 12.71 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.252 -166.435 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 94.0 mtp 63.09 53.3 2.33 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.175 178.875 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 95.7 m-20 65.06 24.0 12.5 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.165 179.856 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 76.09 16.35 80.75 Favored Glycine 0 CA--C 1.523 0.542 0 N-CA-C 111.25 -0.74 . . . . 0.0 111.25 179.563 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -87.08 -25.48 24.14 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.788 0.327 . . . . 0.0 111.209 -177.239 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 63.0 tp -114.51 129.58 56.67 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.2 179.665 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -114.12 94.46 4.82 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.201 176.724 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 93' ' ' VAL . . . . . 0.552 ' HB ' ' HB2' ' A' ' 84' ' ' TYR . 90.9 t -89.26 127.87 41.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.106 178.155 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 88.6 mt -124.33 119.13 55.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.157 -170.657 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -65.03 141.79 43.94 Favored Glycine 0 CA--C 1.523 0.584 0 N-CA-C 111.211 -0.756 . . . . 0.0 111.211 172.712 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 46.0 t80 -169.3 155.0 6.12 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.806 0.336 . . . . 0.0 111.165 -168.566 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 50.1 p30 -141.95 -165.04 1.92 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.159 -179.651 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 95.4 m-85 -82.42 133.35 35.21 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.154 -177.086 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 10.2 t -134.59 -171.62 2.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.182 -172.324 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 40.7 p -125.39 -75.54 0.59 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.216 -172.372 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -56.78 -37.95 71.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.211 -171.075 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 27.1 ptm -82.35 6.53 16.73 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.142 -167.887 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 77.9 mt-30 -64.8 -23.93 67.39 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.2 172.67 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 95.5 p -92.15 -24.95 18.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.185 174.58 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 92.6 mt -69.8 -42.06 79.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.204 176.626 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 97.2 mt -58.25 -36.2 56.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.207 179.846 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 36.0 ttm180 -57.62 -36.54 71.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.211 178.527 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 67.9 m-20 -110.29 39.36 2.2 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.218 178.069 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 109' ' ' TYR . . . . . . . . . . . . . 92.6 t80 -145.06 -54.93 0.31 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.192 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 79.8 p -73.04 163.14 28.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.156 -172.858 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 50.5 m-20 -112.59 -31.89 6.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.184 174.406 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 59.4 tp -146.19 139.73 26.08 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.257 178.427 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 58.3 t -125.22 124.18 66.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.189 175.693 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 97.6 mt -96.4 125.31 49.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.147 175.756 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 48.7 m -119.93 161.49 20.78 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.188 -174.397 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 34.1 t-80 -109.99 144.76 38.06 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.234 -176.455 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -72.27 151.18 42.98 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.207 178.533 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 84.95 3.59 87.72 Favored Glycine 0 CA--C 1.524 0.606 0 N-CA-C 111.193 -0.763 . . . . 0.0 111.193 175.635 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 59.9 p -131.21 -179.71 5.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.795 0.331 . . . . 0.0 111.216 -177.504 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -97.7 5.03 61.86 Favored Glycine 0 CA--C 1.524 0.603 0 N-CA-C 111.2 -0.76 . . . . 0.0 111.2 -178.136 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 95.2 p -66.39 -27.34 67.78 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.763 0.316 . . . . 0.0 111.202 178.345 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 122' ' ' ILE . . . . . . . . . . . . . 92.2 mt -70.08 -46.19 73.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.18 176.197 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 56.5 tp -55.56 -38.75 69.73 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.209 175.825 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 98.9 m-20 -57.61 -50.01 74.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.223 177.133 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 78.2 p -72.75 -20.97 61.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.146 -177.633 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 85.0 mt -74.39 -32.21 62.64 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.218 172.907 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 36.8 mmt180 -82.53 -24.96 33.82 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.232 175.369 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 94.7 mt -74.25 -18.74 60.69 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.243 171.364 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 96.5 m-20 67.16 38.6 3.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.134 178.503 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 37.1 mmtm -110.08 154.11 42.9 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.207 178.78 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_exo -52.92 127.46 24.95 Favored 'Trans proline' 0 N--CA 1.457 -0.64 0 C-N-CA 121.735 1.623 . . . . 0.0 111.237 178.347 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 57.5 tp -95.21 112.18 23.93 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.231 -168.95 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 87.6 mt -101.45 119.72 50.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.129 165.847 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 96.3 t -102.16 119.83 51.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.152 -177.066 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 135' ' ' CYS . . . . . . . . . . . . . 90.8 m -92.69 131.69 37.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.162 175.351 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 136' ' ' VAL . . . . . 0.442 HG22 ' HA ' ' A' ' 162' ' ' ALA . 30.1 m -78.98 163.81 3.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.137 178.717 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 15.1 t-20 . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.213 -175.995 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.061 0 CA-C-O 120.817 0.341 . . . . 0.0 111.215 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 99.1 m-20 -73.4 -48.16 36.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.137 -176.601 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 151' ' ' LYS . . . . . . . . . . . . . 74.7 mmtt -115.01 -59.82 1.97 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.168 -169.722 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 152' ' ' PHE . . . . . . . . . . . . . 90.3 t80 -55.11 -48.25 73.86 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.21 -168.434 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 153' ' ' VAL . . . . . . . . . . . . . 78.1 t -65.9 -30.17 49.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.225 -179.906 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 74.0 mm-40 -84.89 -3.42 58.69 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.168 -174.537 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 155' ' ' LEU . . . . . . . . . . . . . 87.7 mt -61.38 -34.79 75.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.175 178.053 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . 91.79 12.53 59.16 Favored Glycine 0 CA--C 1.523 0.559 0 N-CA-C 111.212 -0.755 . . . . 0.0 111.212 176.595 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 157' ' ' TYR . . . . . . . . . . . . . 95.2 m-85 -112.55 -43.29 3.5 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.839 0.352 . . . . 0.0 111.189 178.715 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 158' ' ' VAL . . . . . . . . . . . . . 66.6 t -131.89 132.11 61.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.128 -173.496 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 159' ' ' TRP . . . . . . . . . . . . . 63.4 t-105 -90.05 139.05 30.99 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.206 171.218 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 160' ' ' SER . . . . . . . . . . . . . 45.8 t -132.31 142.87 49.52 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.184 178.051 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 161' ' ' CYS . . . . . . . . . . . . . 31.6 p -154.14 175.08 13.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.2 -175.341 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 162' ' ' ALA . . . . . 0.442 ' HA ' HG22 ' A' ' 136' ' ' VAL . . . -83.24 140.17 42.23 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.218 176.043 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 163' ' ' PRO . . . . . . . . . . . . . 84.3 Cg_endo -78.18 65.12 8.45 Favored 'Trans proline' 0 N--CA 1.459 -0.557 0 C-N-CA 121.643 1.562 . . . . 0.0 111.22 179.793 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 164' ' ' THR . . . . . . . . . . . . . 18.8 p -125.03 179.93 4.83 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.174 178.616 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 165' ' ' GLU . . . . . . . . . . . . . 22.9 pt-20 -70.07 -10.04 57.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.213 178.685 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 166' ' ' THR . . . . . . . . . . . . . 74.0 p -111.99 -36.78 5.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.169 -178.707 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 167' ' ' GLY . . . . . . . . . . . . . . . -74.3 -37.12 48.7 Favored Glycine 0 CA--C 1.523 0.585 0 N-CA-C 111.161 -0.776 . . . . 0.0 111.161 -177.555 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 168' ' ' LEU . . . . . . . . . . . . . 96.3 mt -67.61 -31.52 71.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.798 0.332 . . . . 0.0 111.208 179.093 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 83.9 mt -64.56 -45.18 96.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.205 175.207 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 170' ' ' ALA . . . . . . . . . . . . . . . -62.68 -37.89 88.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.172 178.102 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 171' ' ' GLY . . . . . . . . . . . . . . . -62.96 -45.82 94.84 Favored Glycine 0 CA--C 1.523 0.578 0 N-CA-C 111.144 -0.782 . . . . 0.0 111.144 176.769 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 84.0 mt -61.43 -42.95 99.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.782 0.325 . . . . 0.0 111.135 179.476 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 173' ' ' ARG . . . . . . . . . . . . . 35.2 ttm180 -64.14 -40.1 95.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.204 178.422 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -64.95 -40.11 94.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.276 -178.26 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 60.5 p -64.98 -25.5 67.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.234 -177.922 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 176' ' ' GLN . . . . . . . . . . . . . 89.7 mm-40 -102.4 -27.6 12.72 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.156 -175.433 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 177' ' ' THR . . . . . . . . . . . . . 96.7 m -99.8 -53.53 3.15 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.168 -175.192 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 178' ' ' GLU . . . . . . . . . . . . . 75.7 mm-40 -82.14 141.74 32.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.236 -173.205 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 179' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -80.06 110.11 15.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.183 177.624 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 180' ' ' LEU . . . . . . . . . . . . . 93.7 mt . . . . . 0 C--N 1.33 -0.27 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.203 175.978 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.785 0.326 . . . . 0.0 111.232 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 88.8 mttt -74.5 151.47 39.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.211 -174.316 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 7' ' ' ALA . . . . . 0.466 ' HB3' ' HA ' ' A' ' 110' ' ' SER . . . -120.39 140.87 50.7 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.24 -176.878 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 63.2 tp -123.79 113.95 19.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.196 -173.916 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 62.4 t80 -89.71 106.55 18.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.17 -176.842 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 89.7 t -103.13 115.35 44.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.217 -177.459 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 96.4 m -101.74 110.21 22.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.172 176.566 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 90.1 m -79.81 140.42 36.86 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.233 -179.282 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -84.45 170.27 46.34 Favored Glycine 0 CA--C 1.523 0.574 0 N-CA-C 111.233 -0.747 . . . . 0.0 111.233 -179.231 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -97.53 -5.01 36.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.776 0.322 . . . . 0.0 111.162 -178.113 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 69.5 p -87.63 -19.46 27.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.21 -178.556 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 79.6 t -114.87 130.17 24.4 Favored Pre-proline 0 C--N 1.33 -0.249 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.152 176.458 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 85.6 Cg_exo -48.55 126.87 15.01 Favored 'Trans proline' 0 N--CA 1.459 -0.557 0 C-N-CA 121.674 1.583 . . . . 0.0 111.209 177.611 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' PHE . . . . . 0.532 ' HB2' ' HD3' ' A' ' 19' ' ' PRO . 18.3 m-85 -61.58 -44.55 92.11 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.242 -175.247 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 19' ' ' PRO . . . . . 0.532 ' HD3' ' HB2' ' A' ' 18' ' ' PHE . 67.8 Cg_exo -55.02 -35.15 89.48 Favored 'Trans proline' 0 N--CA 1.458 -0.588 0 C-N-CA 121.725 1.617 . . . . 0.0 111.178 178.289 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -91.87 -18.85 23.19 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.237 -176.215 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 36.6 tp -81.28 -38.85 26.16 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.231 -177.353 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 27.1 m -67.42 -17.17 22.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.208 -175.66 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 60.5 p -66.96 -16.42 64.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.192 179.875 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 78.0 m -84.82 -14.96 46.45 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.246 -179.853 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 35.7 m -118.75 -3.58 10.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.186 -179.089 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 96.2 mt -117.28 12.43 14.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.161 179.11 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 69.6 p -74.97 159.95 31.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.162 178.952 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 98.9 m-20 -62.87 -36.92 84.87 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.171 177.43 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 76.7 mm-40 -71.99 -43.85 64.42 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.242 -178.755 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 46.8 t80 -64.95 -49.24 71.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.21 -179.096 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 81.2 m -67.62 -40.03 84.69 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.207 -174.518 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 66.3 tt0 -56.7 -55.81 29.41 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.245 175.749 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' GLU . . . . . 0.426 ' HB2' HG12 ' A' ' 169' ' ' ILE . 69.7 mm-40 -64.39 -40.7 96.33 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.204 179.356 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 37.9 tp -48.07 -50.92 26.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.225 174.459 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 94.3 mt -62.44 -40.06 86.67 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.196 178.582 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 99.8 mm-40 -64.86 -23.87 67.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.236 -179.147 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 13.7 m-30 -87.34 -5.02 59.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.154 -179.802 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 99.63 5.06 55.7 Favored Glycine 0 CA--C 1.524 0.597 0 N-CA-C 111.266 -0.734 . . . . 0.0 111.266 176.201 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 68.4 m-85 -96.24 122.31 38.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.83 0.348 . . . . 0.0 111.213 -175.908 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 34.0 m -130.28 -11.3 2.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.188 -178.492 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 74.9 mtm180 -107.16 88.07 2.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.244 -179.762 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 53.0 tp -90.55 124.71 35.24 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.193 -175.898 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.449 HG23 ' CD1' ' A' ' 96' ' ' PHE . 3.3 mp -109.93 123.05 65.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.214 177.892 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 80.9 mt -118.65 111.69 34.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.111 179.31 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 62.3 tp60 -85.11 126.95 34.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.205 -175.991 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 52.4 m-85 -110.08 155.02 22.44 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.19 173.117 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -80.34 -171.24 43.06 Favored Glycine 0 CA--C 1.524 0.641 0 N-CA-C 111.145 -0.782 . . . . 0.0 111.145 178.973 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 83.4 mtp180 -79.96 -19.97 46.69 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.827 0.346 . . . . 0.0 111.215 -176.733 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 72.6 m-80 -104.74 14.88 28.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.208 -178.227 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 81.9 m-85 -130.78 150.49 51.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.17 -176.994 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 41.1 t -120.75 120.34 35.35 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.215 -174.735 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 60.6 p -69.86 86.61 0.51 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.19 176.497 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -123.19 106.87 11.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.222 177.806 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 23.1 m-85 -114.88 17.96 16.71 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.213 178.742 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 85.8 tt0 -57.49 -35.59 70.41 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.217 -175.925 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 43.0 p-80 -79.56 -10.89 59.88 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.231 -177.719 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 98.9 mt -96.95 -37.19 10.29 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.231 -177.116 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 22.5 m -68.64 -17.15 21.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.206 -179.023 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 88.8 mt-30 -64.54 -27.22 68.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.165 171.049 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 94.2 mt-10 -104.97 18.78 21.76 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.227 176.382 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 89.2 mmt-85 -129.56 -0.02 4.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.142 178.611 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 76.28 39.57 31.04 Favored Glycine 0 CA--C 1.523 0.538 0 N-CA-C 111.208 -0.757 . . . . 0.0 111.208 173.673 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -147.92 -146.37 4.33 Favored Glycine 0 CA--C 1.524 0.616 0 N-CA-C 111.197 -0.761 . . . . 0.0 111.197 -179.266 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 20.4 pt20 -168.57 171.3 8.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.814 0.34 . . . . 0.0 111.163 -172.591 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 67.3 ttp85 -99.97 140.02 34.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.207 179.767 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 87.3 tt0 -147.86 113.51 5.69 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.236 174.343 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 39.9 t -69.93 134.43 48.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.136 174.034 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 17.0 mm-40 -129.57 141.28 50.99 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.19 -176.11 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -95.06 65.02 2.84 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.214 172.455 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 86.7 mt -79.37 133.43 60.13 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.159 -178.615 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 56.0 Cg_endo -72.2 171.09 17.55 Favored 'Trans proline' 0 N--CA 1.458 -0.598 0 C-N-CA 121.699 1.599 . . . . 0.0 111.227 -176.55 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 47.7 pt -81.9 -8.51 11.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.182 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 69.7 m-20 -89.63 -23.31 21.95 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.171 -179.103 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 63.6 tp60 -82.24 -67.28 0.8 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.218 -177.21 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 75' ' ' PHE . . . . . 0.427 ' HB2' ' SG ' ' A' ' 77' ' ' CYS . 51.0 m-85 -125.7 2.36 7.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.257 -179.835 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 83.26 39.46 9.92 Favored Glycine 0 CA--C 1.524 0.612 0 N-CA-C 111.148 -0.781 . . . . 0.0 111.148 -179.321 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 77' ' ' CYS . . . . . 0.427 ' SG ' ' HB2' ' A' ' 75' ' ' PHE . 72.5 m -112.28 -178.33 3.39 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.838 0.351 . . . . 0.0 111.191 -173.955 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -139.49 -143.39 4.39 Favored Glycine 0 CA--C 1.523 0.541 0 N-CA-C 111.226 -0.75 . . . . 0.0 111.226 176.232 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 55.8 p-10 -102.51 8.45 39.93 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.812 0.339 . . . . 0.0 111.289 -175.252 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 73.2 p -121.39 28.79 7.57 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.241 171.781 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -93.15 137.25 32.66 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.173 171.757 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 95.9 mtt180 -122.39 112.52 18.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.162 -175.27 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 56.3 tt0 -78.58 137.33 37.82 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.213 179.192 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 96.4 m-85 -130.02 134.78 47.64 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.19 178.639 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.453 HG13 ' HA2' ' A' ' 89' ' ' GLY . 86.3 t -91.72 117.21 34.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.166 176.698 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 4.0 mp -122.16 156.54 33.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.206 179.598 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 83.8 mmm 59.96 38.76 20.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.205 174.836 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 78.0 m-20 60.31 34.86 20.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.183 177.075 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 89' ' ' GLY . . . . . 0.453 ' HA2' HG13 ' A' ' 85' ' ' VAL . . . 94.3 2.94 63.56 Favored Glycine 0 CA--C 1.523 0.562 0 N-CA-C 111.156 -0.777 . . . . 0.0 111.156 172.643 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -85.96 -22.01 27.58 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.775 0.322 . . . . 0.0 111.195 -178.331 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 61.4 tp -123.59 133.01 54.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.131 179.44 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -109.5 108.63 19.18 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.222 177.423 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 60.5 t -108.75 124.45 65.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.199 -178.491 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 82.1 mt -114.71 120.56 64.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.174 178.958 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -85.0 133.97 12.24 Favored Glycine 0 CA--C 1.523 0.589 0 N-CA-C 111.2 -0.76 . . . . 0.0 111.2 174.861 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 96' ' ' PHE . . . . . 0.449 ' CD1' HG23 ' A' ' 43' ' ' ILE . 61.7 m-85 -114.87 107.77 15.85 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.813 0.34 . . . . 0.0 111.16 -175.013 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 70.4 m-20 -94.31 67.15 3.48 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.23 171.298 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 91.6 m-85 -129.63 164.69 23.35 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.218 -177.199 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 77.3 p -75.12 -176.29 2.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.142 173.176 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 68.6 p -74.89 -5.42 43.6 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.173 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -63.86 -30.07 71.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.226 176.088 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 24.5 mmt -91.33 -0.31 57.64 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.207 -179.439 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 29.2 tt0 -64.27 -60.09 3.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.264 -176.505 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 73.7 m -65.11 -32.8 74.68 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.259 -179.061 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 95.9 mt -61.7 -46.38 96.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.255 179.081 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 84.8 mt -72.61 -38.06 58.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.157 -179.08 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 42.2 mtm105 -61.83 -26.19 67.97 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.21 -176.953 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 99.0 m-20 -64.36 -23.63 67.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.236 176.441 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 109' ' ' TYR . . . . . . . . . . . . . 96.3 m-85 -97.26 -24.0 15.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.207 -179.909 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 110' ' ' SER . . . . . 0.466 ' HA ' ' HB3' ' A' ' 7' ' ' ALA . 54.6 p -70.65 163.58 26.76 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.246 179.722 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 61.9 m-20 -108.97 -40.48 5.0 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.187 176.068 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 94.4 mt -123.93 154.84 39.17 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.234 173.892 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 94.6 t -124.08 124.96 70.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.228 -179.379 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 97.6 mt -105.85 129.04 59.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.169 174.396 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 33.3 t -115.09 114.45 25.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.151 177.141 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 86.8 m-70 -86.87 143.12 27.58 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.187 -178.792 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . 54.89 50.65 15.15 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.195 170.678 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 128.59 -173.33 19.22 Favored Glycine 0 CA--C 1.524 0.596 0 N-CA-C 111.211 -0.755 . . . . 0.0 111.211 176.682 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 57.9 p -109.32 35.38 3.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.769 0.318 . . . . 0.0 111.187 -173.884 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -58.2 -41.21 94.68 Favored Glycine 0 CA--C 1.523 0.586 0 N-CA-C 111.159 -0.776 . . . . 0.0 111.159 -172.594 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 71.0 m -109.13 30.4 6.61 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.804 0.335 . . . . 0.0 111.219 -175.991 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 122' ' ' ILE . . . . . . . . . . . . . 48.8 mm -104.81 -52.77 7.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.193 178.572 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 97.9 mt -66.09 -22.8 66.42 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.093 175.711 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 94.9 m-20 -78.66 -17.95 55.18 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.223 177.555 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 39.4 m -114.87 35.0 4.5 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.217 -170.603 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 94.5 mt -89.97 -25.98 20.61 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.235 -179.414 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 98.5 mtt180 -78.02 -22.64 48.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.223 179.233 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 93.7 mt -66.81 -34.6 78.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.233 175.689 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 78.8 m-20 64.97 35.02 8.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.189 -179.813 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 40.5 mmtm -114.03 153.74 46.17 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.185 179.652 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_exo -49.59 123.74 10.98 Favored 'Trans proline' 0 N--CA 1.458 -0.61 0 C-N-CA 121.603 1.535 . . . . 0.0 111.293 175.334 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 81.4 mt -108.2 139.97 42.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.198 -176.832 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 87.3 mt -116.4 130.24 71.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.223 -177.224 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 86.3 t -116.22 125.01 73.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.197 172.283 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 135' ' ' CYS . . . . . . . . . . . . . 47.2 t -105.57 110.02 22.2 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.224 178.75 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 97.0 t -75.71 135.6 26.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.163 -175.344 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 42.1 p30 . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.19 -175.699 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.807 0.337 . . . . 0.0 111.163 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 95.7 m-20 -58.68 -41.85 87.13 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.196 -179.221 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 151' ' ' LYS . . . . . . . . . . . . . 96.5 mttt -73.66 -30.74 63.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.204 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 152' ' ' PHE . . . . . . . . . . . . . 15.5 m-30 -69.98 -28.45 65.55 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.225 175.395 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 153' ' ' VAL . . . . . . . . . . . . . 55.1 t -69.73 -40.04 78.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.198 171.623 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -61.41 -35.19 76.84 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.168 175.294 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 155' ' ' LEU . . . . . . . . . . . . . 82.2 mt -68.23 -50.21 55.56 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.297 173.15 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . 84.96 16.63 64.83 Favored Glycine 0 CA--C 1.524 0.629 0 N-CA-C 111.19 -0.764 . . . . 0.0 111.19 168.912 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 157' ' ' TYR . . . . . . . . . . . . . 54.4 p90 -143.8 8.12 1.48 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.803 0.335 . . . . 0.0 111.142 175.695 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 158' ' ' VAL . . . . . . . . . . . . . 55.7 t -120.21 134.49 63.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.244 -178.083 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 159' ' ' TRP . . . . . . . . . . . . . 81.0 m95 -97.73 146.64 25.16 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.159 175.431 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 160' ' ' SER . . . . . . . . . . . . . 41.3 t -110.45 115.68 30.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.158 174.139 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 161' ' ' CYS . . . . . . . . . . . . . 92.9 m -114.03 149.64 35.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.222 -178.746 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -81.63 159.62 66.23 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.214 174.981 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 163' ' ' PRO . . . . . . . . . . . . . 89.9 Cg_endo -78.47 60.75 7.67 Favored 'Trans proline' 0 N--CA 1.458 -0.593 0 C-N-CA 121.763 1.642 . . . . 0.0 111.175 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 164' ' ' THR . . . . . . . . . . . . . 36.7 p -136.05 173.66 11.47 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.197 178.735 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 165' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -70.62 -29.23 65.56 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.198 -178.631 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 166' ' ' THR . . . . . . . . . . . . . 81.9 p -103.55 -21.25 13.78 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.253 -174.083 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 167' ' ' GLY . . . . . . . . . . . . . . . -66.33 -37.43 92.82 Favored Glycine 0 CA--C 1.524 0.604 0 N-CA-C 111.209 -0.756 . . . . 0.0 111.209 -179.274 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 168' ' ' LEU . . . . . . . . . . . . . 52.2 tp -74.89 -47.82 28.05 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.798 0.333 . . . . 0.0 111.2 -177.906 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 169' ' ' ILE . . . . . 0.426 HG12 ' HB2' ' A' ' 33' ' ' GLU . 10.4 tp -65.27 -25.35 37.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.18 -177.672 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 170' ' ' ALA . . . . . . . . . . . . . . . -65.16 -41.5 94.62 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.215 174.466 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 171' ' ' GLY . . . . . . . . . . . . . . . -69.26 -34.4 75.03 Favored Glycine 0 CA--C 1.524 0.629 0 N-CA-C 111.167 -0.773 . . . . 0.0 111.167 177.846 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 30.6 tp -65.07 -39.96 94.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.81 0.338 . . . . 0.0 111.235 176.12 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 173' ' ' ARG . . . . . . . . . . . . . 40.6 ttm180 -58.96 -46.06 88.98 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.208 171.497 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -57.77 -38.71 75.91 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.199 -177.904 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 73.7 m -57.57 -36.7 72.04 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.23 177.295 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 176' ' ' GLN . . . . . . . . . . . . . 91.7 mm-40 -97.78 -4.96 35.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.104 -173.647 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 177' ' ' THR . . . . . . . . . . . . . 93.3 m -113.82 -50.15 2.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.181 -174.952 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 178' ' ' GLU . . . . . . . . . . . . . 72.4 mm-40 -93.16 155.11 17.67 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.215 -176.212 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 179' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -95.49 120.4 35.68 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.249 -177.535 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 180' ' ' LEU . . . . . . . . . . . . . 95.2 mt . . . . . 0 C--N 1.328 -0.349 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.205 173.023 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.792 0.329 . . . . 0.0 111.177 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 68.0 mmtt -61.03 111.93 1.88 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.198 -172.608 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -125.23 130.24 51.69 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.227 -175.893 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 60.5 tp -106.54 126.45 52.28 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.195 178.338 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 67.0 t80 -106.77 119.93 40.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.291 -177.634 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 89.7 t -105.64 131.83 54.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.162 177.523 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 96.8 m -113.62 123.23 49.45 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.216 -175.855 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 75.2 m -94.62 144.58 25.49 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.257 166.5 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -63.38 138.08 43.06 Favored Glycine 0 CA--C 1.523 0.562 0 N-CA-C 111.243 -0.743 . . . . 0.0 111.243 -178.594 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.16 -34.13 76.97 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.798 0.332 . . . . 0.0 111.236 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 82.4 p -108.47 -24.93 11.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.215 177.68 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 44.2 t -125.01 87.16 55.8 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.236 179.662 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 57.3 Cg_endo -68.29 154.97 70.95 Favored 'Trans proline' 0 N--CA 1.458 -0.58 0 C-N-CA 121.719 1.613 . . . . 0.0 111.184 177.716 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 78.7 m-85 -127.91 75.02 78.61 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.215 -176.519 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 37.9 Cg_endo -66.59 -24.81 47.98 Favored 'Trans proline' 0 N--CA 1.457 -0.62 0 C-N-CA 121.724 1.616 . . . . 0.0 111.169 -179.209 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -64.6 -38.61 91.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.249 179.261 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 95.1 mt -79.74 -35.86 38.16 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.117 -179.816 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 65.6 t -69.99 -29.76 41.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.174 -179.755 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 56.0 p -65.03 -23.16 67.11 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.206 178.824 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 95.6 m -90.1 -39.68 12.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.174 -175.168 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 18.1 m -70.66 -18.27 20.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.171 -178.832 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 96.4 mt -94.07 -6.57 44.81 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.185 177.41 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 47.8 m -77.31 151.3 35.06 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.186 178.374 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 99.1 m-20 -62.42 -34.07 76.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.235 -175.135 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -61.09 -47.42 86.37 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.237 -178.237 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 52.4 t80 -65.53 -46.42 79.66 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.146 176.811 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 87.0 m -64.98 -29.84 70.79 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.212 -175.065 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 72.2 tp60 -64.45 -47.61 78.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.189 176.717 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 69.9 mm-40 -68.69 -37.73 79.78 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.2 175.921 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 48.8 tp -54.93 -53.28 57.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.202 177.583 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 97.7 mt -64.91 -36.36 77.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.242 178.126 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 71.9 tp60 -60.03 -29.99 68.88 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.213 176.926 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 16.5 m-30 -83.77 -6.54 59.46 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.189 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 106.8 -4.69 36.58 Favored Glycine 0 CA--C 1.524 0.615 0 N-CA-C 111.206 -0.757 . . . . 0.0 111.206 177.179 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 57.0 m-85 -88.53 123.33 32.93 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.757 0.313 . . . . 0.0 111.233 -174.58 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 29.3 m -124.6 -4.91 6.45 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.25 -174.255 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 87.0 mtt-85 -122.29 133.83 54.67 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.152 176.731 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 64.5 tp -135.79 114.84 12.26 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.258 -175.163 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 4.7 mp -115.32 120.07 63.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.257 -173.61 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 5.1 mp -110.2 116.13 51.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.21 -177.158 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 10.8 tm0? -86.18 128.81 34.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.296 176.501 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 33.8 p90 -146.58 179.86 7.26 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.135 178.725 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -137.51 89.01 0.21 Allowed Glycine 0 CA--C 1.525 0.667 0 N-CA-C 111.168 -0.773 . . . . 0.0 111.168 -158.546 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 85.3 mtp180 68.0 -107.93 0.09 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.823 0.344 . . . . 0.0 111.172 165.736 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 97.1 m-20 -58.77 -29.89 67.14 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.235 -169.342 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 70.4 t80 -55.57 -33.62 64.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.231 179.186 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 85.9 p -52.91 -31.54 40.46 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.156 -174.399 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 73.6 m -61.68 -39.65 92.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.182 177.493 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 75.6 mm-40 -79.92 -34.25 39.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.255 178.61 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 88.2 t80 -59.09 -48.35 81.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.218 -179.03 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 84.6 tt0 -57.34 -38.62 74.41 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.202 176.516 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 67.0 m170 -69.79 -31.77 69.88 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.227 179.906 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 91.8 mt -70.82 -30.79 67.32 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.203 177.106 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 71.2 t -74.97 -39.09 44.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.212 172.945 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 98.1 mm-40 -79.78 -8.57 59.34 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.184 179.147 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 52.3 tp10 -65.81 -30.01 70.57 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.243 170.178 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 41.0 mmt180 -109.7 -0.04 18.72 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.159 179.468 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 82.02 38.74 12.69 Favored Glycine 0 CA--C 1.524 0.633 0 N-CA-C 111.146 -0.781 . . . . 0.0 111.146 172.479 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -77.64 174.44 54.74 Favored Glycine 0 CA--C 1.523 0.593 0 N-CA-C 111.151 -0.78 . . . . 0.0 111.151 175.874 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 65.5 tp60 -120.85 120.03 34.36 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.81 0.338 . . . . 0.0 111.236 -179.882 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 62.0 ttp85 -82.27 134.97 35.3 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.234 174.328 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -136.28 142.51 43.95 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.238 178.835 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 38.0 t -90.94 105.66 17.98 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.203 179.427 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 90.7 mm-40 -124.93 153.14 43.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.236 -178.613 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -90.77 74.95 6.56 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.201 177.543 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 49.9 mm -65.99 118.46 52.51 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.263 -175.352 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 77.1 Cg_exo -58.96 156.96 30.93 Favored 'Trans proline' 0 N--CA 1.458 -0.617 0 C-N-CA 121.722 1.615 . . . . 0.0 111.189 -174.315 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 96.8 mt -87.33 -40.2 13.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.16 173.322 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 15.7 p-10 -77.27 -16.32 59.04 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.264 -172.874 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 96.8 mm-40 -108.39 -22.77 12.18 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.196 -179.032 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 84.5 m-85 -129.12 -59.99 1.09 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.127 177.354 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 121.46 24.25 2.43 Favored Glycine 0 CA--C 1.523 0.564 0 N-CA-C 111.16 -0.776 . . . . 0.0 111.16 -178.111 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 76.7 m -112.47 147.05 37.34 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.738 0.304 . . . . 0.0 111.203 -178.763 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -97.91 -137.85 9.88 Favored Glycine 0 CA--C 1.524 0.641 0 N-CA-C 111.179 -0.768 . . . . 0.0 111.179 175.482 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 58.4 p-10 -91.1 10.19 27.86 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.801 0.334 . . . . 0.0 111.213 174.19 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 41.8 p -109.44 37.37 2.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.197 179.042 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.402 ' HA ' ' O ' ' A' ' 95' ' ' GLY . . . -141.34 150.95 43.14 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.218 177.118 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 90.2 mmt-85 -135.53 150.48 49.76 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.202 -174.836 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 30.4 tt0 -92.16 129.97 37.99 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.225 -179.799 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 84' ' ' TYR . . . . . 0.457 ' HB2' ' HB ' ' A' ' 93' ' ' VAL . 91.1 m-85 -122.9 120.56 33.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.198 -179.796 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 87.4 t -91.91 121.95 42.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.183 -176.547 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 95.3 mt -127.96 163.37 24.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.221 173.308 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 85.6 mmm 62.39 30.03 17.29 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.222 176.122 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 96.4 m-20 64.97 33.97 9.36 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.202 176.79 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 95.96 -3.15 64.54 Favored Glycine 0 CA--C 1.524 0.603 0 N-CA-C 111.202 -0.759 . . . . 0.0 111.202 175.476 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -79.61 -24.99 41.58 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.783 0.325 . . . . 0.0 111.204 -178.564 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 66.2 tp -116.08 120.07 37.89 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.177 176.625 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -98.65 103.2 15.13 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.224 178.119 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 93' ' ' VAL . . . . . 0.457 ' HB ' ' HB2' ' A' ' 84' ' ' TYR . 81.7 t -97.66 138.47 22.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.164 -177.314 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 86.4 mt -118.84 117.16 53.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.193 175.521 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 95' ' ' GLY . . . . . 0.402 ' O ' ' HA ' ' A' ' 81' ' ' ALA . . . -83.09 120.59 5.2 Favored Glycine 0 CA--C 1.524 0.597 0 N-CA-C 111.196 -0.762 . . . . 0.0 111.196 171.192 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 49.8 t80 -123.77 118.96 28.36 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.821 0.343 . . . . 0.0 111.225 -170.55 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 65.3 t0 -124.69 100.32 6.58 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.192 177.396 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 22.8 t80 -166.42 164.98 17.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.166 179.824 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 82.8 p -70.01 180.0 2.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.161 179.463 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 100' ' ' THR . . . . . 0.403 ' HA ' ' HB2' ' A' ' 103' ' ' GLN . 80.7 p -71.86 -5.85 37.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.166 -171.959 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -59.97 -29.73 68.63 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.158 -179.127 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 66.9 mtt -124.94 -4.91 7.48 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.238 -175.475 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 103' ' ' GLN . . . . . 0.412 ' HB3' ' NH1' ' A' ' 107' ' ' ARG . 78.1 mt-30 -64.43 -44.21 91.91 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.175 172.347 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 75.1 m -69.17 -25.41 64.34 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.21 -176.014 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 96.4 mt -64.13 -48.15 87.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.228 173.425 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 97.8 mt -66.82 -40.18 85.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.17 176.437 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 107' ' ' ARG . . . . . 0.412 ' NH1' ' HB3' ' A' ' 103' ' ' GLN . 86.9 mtm-85 -60.08 -42.57 94.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.14 177.055 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -64.77 -34.85 79.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.238 179.067 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 109' ' ' TYR . . . . . . . . . . . . . 13.9 m-30 -75.91 -35.6 59.73 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.134 178.397 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 59.7 p -70.12 169.75 12.9 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.249 -173.717 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 46.5 m-20 -110.41 -40.61 4.59 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.213 -177.765 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 88.3 mt -124.85 147.82 48.57 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.205 177.332 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 96.9 t -122.46 125.43 72.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.204 173.514 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 87.2 mt -115.96 132.3 65.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.164 176.439 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 13.2 t -157.16 -171.46 3.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.235 175.586 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 59.0 t-80 -103.43 160.7 14.48 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.16 177.107 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -50.8 137.38 20.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.263 172.497 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 161.25 167.4 21.66 Favored Glycine 0 CA--C 1.523 0.59 0 N-CA-C 111.169 -0.772 . . . . 0.0 111.169 -175.144 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 40.5 p -73.63 -69.95 0.4 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.898 0.38 . . . . 0.0 111.2 -173.077 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -57.18 -36.94 77.54 Favored Glycine 0 CA--C 1.523 0.584 0 N-CA-C 111.198 -0.761 . . . . 0.0 111.198 179.637 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 39.3 t -58.22 -57.24 13.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.782 0.325 . . . . 0.0 111.21 -178.892 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 122' ' ' ILE . . . . . . . . . . . . . 93.9 mt -62.28 -38.39 80.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.188 -178.702 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 81.2 mt -61.86 -40.42 95.28 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.237 -175.21 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 87.1 m-20 -62.31 -49.96 73.56 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.189 -165.789 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 21.5 t -69.0 -41.94 77.13 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.212 -176.746 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 94.0 mt -75.32 -17.46 60.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.247 -177.441 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 44.9 ttm105 -59.49 -39.05 82.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.13 172.987 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 87.1 mt -103.58 4.89 36.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.255 178.567 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 92.8 m-20 64.98 34.49 8.88 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.156 177.474 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 33.3 mmtp -92.95 147.05 33.17 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.203 177.141 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_exo -53.5 126.69 22.57 Favored 'Trans proline' 0 N--CA 1.458 -0.588 0 C-N-CA 121.742 1.628 . . . . 0.0 111.188 178.779 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 53.6 tp -118.54 130.85 56.14 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.118 -175.628 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 5.4 mp -109.93 117.03 53.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.103 -0.498 . . . . 0.0 111.224 172.07 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 95.0 t -108.77 114.96 48.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.219 -173.679 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 135' ' ' CYS . . . . . . . . . . . . . 93.0 m -78.27 131.27 37.02 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.239 170.992 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 82.4 t -118.53 106.01 18.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.241 -178.023 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 48.7 p30 . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.174 176.47 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.803 0.335 . . . . 0.0 111.182 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 96.5 m-20 -71.91 -36.33 69.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.217 -176.293 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 151' ' ' LYS . . . . . . . . . . . . . 47.4 mmtm -79.73 -38.13 34.0 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.188 -174.597 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 152' ' ' PHE . . . . . 0.424 ' HB3' ' HB ' ' A' ' 158' ' ' VAL . 8.1 m-30 -55.05 -47.07 75.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.202 179.55 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 153' ' ' VAL . . . . . . . . . . . . . 70.1 t -76.71 -45.39 32.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.153 -179.192 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 89.1 tt0 -54.61 -40.15 68.61 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.216 178.724 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 155' ' ' LEU . . . . . . . . . . . . . 96.0 mt -84.86 -25.15 28.21 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.25 -177.3 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . 84.99 40.78 7.88 Favored Glycine 0 CA--C 1.523 0.554 0 N-CA-C 111.222 -0.751 . . . . 0.0 111.222 169.942 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 157' ' ' TYR . . . . . . . . . . . . . 69.2 m-85 -119.21 -30.07 5.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.807 0.337 . . . . 0.0 111.205 178.677 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 158' ' ' VAL . . . . . 0.424 ' HB ' ' HB3' ' A' ' 152' ' ' PHE . 77.5 t -141.04 141.31 31.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.224 179.036 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 159' ' ' TRP . . . . . . . . . . . . . 72.6 t-105 -101.56 120.0 39.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.186 179.22 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 160' ' ' SER . . . . . . . . . . . . . 92.0 p -89.42 152.91 21.23 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.193 176.671 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 161' ' ' CYS . . . . . . . . . . . . . 28.7 p -155.01 175.01 14.36 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.19 177.831 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -80.61 145.49 58.72 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.251 175.602 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 163' ' ' PRO . . . . . . . . . . . . . 85.3 Cg_endo -79.49 63.97 8.79 Favored 'Trans proline' 0 N--CA 1.458 -0.599 0 C-N-CA 121.682 1.588 . . . . 0.0 111.216 -179.265 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 164' ' ' THR . . . . . . . . . . . . . 25.0 p -134.39 174.42 10.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.109 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 165' ' ' GLU . . . . . . . . . . . . . 24.5 pm0 -70.55 -10.89 60.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.199 177.02 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 166' ' ' THR . . . . . . . . . . . . . 82.5 p -103.55 -30.14 10.7 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.24 179.501 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 167' ' ' GLY . . . . . . . . . . . . . . . -75.13 -31.39 57.61 Favored Glycine 0 CA--C 1.523 0.555 0 N-CA-C 111.157 -0.777 . . . . 0.0 111.157 175.973 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 168' ' ' LEU . . . . . . . . . . . . . 76.3 mt -66.1 -42.79 88.77 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.843 0.354 . . . . 0.0 111.19 174.957 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 93.1 mt -69.99 -43.27 79.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.169 177.388 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 170' ' ' ALA . . . . . . . . . . . . . . . -61.96 -44.36 96.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.269 -179.909 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 171' ' ' GLY . . . . . . . . . . . . . . . -68.72 -39.67 85.91 Favored Glycine 0 CA--C 1.523 0.547 0 N-CA-C 111.194 -0.762 . . . . 0.0 111.194 178.433 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 65.4 tp -56.11 -48.21 76.62 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.803 0.335 . . . . 0.0 111.24 175.868 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 173' ' ' ARG . . . . . . . . . . . . . 38.7 ttm180 -65.51 -44.36 87.21 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.232 177.22 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -61.24 -38.97 88.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.175 -174.521 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 88.0 p -69.9 -22.01 63.26 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.254 -179.001 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 176' ' ' GLN . . . . . . . . . . . . . 50.1 tt0 -85.13 -36.34 21.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.174 177.355 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 177' ' ' THR . . . . . . . . . . . . . 81.3 p -87.53 -19.86 27.3 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.18 -177.471 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 178' ' ' GLU . . . . . . . . . . . . . 93.5 mt-10 -125.0 94.83 4.29 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.233 178.717 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 179' ' ' LYS . . . . . . . . . . . . . 88.6 tttt -57.73 123.61 16.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.213 179.519 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 180' ' ' LEU . . . . . . . . . . . . . 95.7 mt . . . . . 0 C--N 1.329 -0.326 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.246 179.217 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.866 0.365 . . . . 0.0 111.135 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 90.3 mttt -93.95 145.5 24.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.166 -176.184 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 7' ' ' ALA . . . . . 0.403 ' HB3' ' HA ' ' A' ' 110' ' ' SER . . . -112.55 127.38 56.06 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.235 178.286 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 22.9 tp -103.4 136.82 42.45 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.184 179.391 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 2.0 t80 -111.87 109.61 19.5 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.237 -179.714 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 87.6 t -106.56 114.99 47.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.174 178.31 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 78.5 p -87.37 134.31 33.59 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.225 179.193 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 20.0 t -144.72 70.27 1.28 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.253 173.006 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -78.34 -175.52 45.37 Favored Glycine 0 CA--C 1.523 0.594 0 N-CA-C 111.147 -0.781 . . . . 0.0 111.147 -179.827 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -57.89 -36.68 72.75 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.817 0.342 . . . . 0.0 111.203 -175.082 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 82.7 p -91.41 5.17 50.41 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.188 -172.712 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 96.0 t -97.68 108.39 45.3 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.19 179.396 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 94.7 Cg_endo -75.31 -109.64 0.01 OUTLIER 'Trans proline' 0 N--CA 1.458 -0.609 0 C-N-CA 121.691 1.594 . . . . 0.0 111.217 175.207 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 95.4 m-85 53.41 57.98 13.73 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.21 176.37 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 38.7 Cg_endo -64.49 -18.93 64.59 Favored 'Trans proline' 0 N--CA 1.459 -0.551 0 C-N-CA 121.716 1.61 . . . . 0.0 111.168 178.447 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 74.0 mmtt -78.37 -33.11 49.13 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.231 177.315 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 70.7 mt -78.57 -26.47 45.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.219 177.32 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 55.7 t -61.28 -38.79 80.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.22 171.493 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 99.2 p -82.26 -27.55 32.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.162 178.047 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 41.8 t -66.11 -46.34 77.95 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.178 -176.497 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 16.3 m -62.54 -19.83 23.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.179 -170.985 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 91.5 mt -119.53 35.55 4.8 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.246 176.11 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 57.6 p -96.34 163.0 13.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.251 172.338 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 97.5 m-20 -70.02 -39.74 75.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.213 178.732 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -70.23 -42.61 72.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.228 -178.154 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 70.6 t80 -60.74 -54.73 41.64 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.157 179.022 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 96.7 m -64.94 -35.21 80.43 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.247 -174.978 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 65.8 tt0 -59.6 -58.33 9.05 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.173 179.597 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 90.6 mt-10 -75.04 -26.73 59.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.192 -176.017 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 46.5 tp -53.02 -50.73 63.66 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.267 172.654 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 91.5 mt -60.87 -38.25 78.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.172 176.086 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 88.8 mt-30 -67.74 -20.0 65.2 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.234 178.926 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 22.6 m-30 -84.46 -5.98 59.34 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.191 176.302 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 103.01 0.64 48.35 Favored Glycine 0 CA--C 1.523 0.567 0 N-CA-C 111.224 -0.751 . . . . 0.0 111.224 179.034 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 89.5 m-85 -100.11 99.85 10.63 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.773 0.321 . . . . 0.0 111.212 -175.167 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 31.6 m -103.88 -8.93 9.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.164 172.554 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 83.9 mtt180 -105.28 113.3 26.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.168 172.281 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.433 ' HB3' HG22 ' A' ' 93' ' ' VAL . 58.5 tp -113.5 110.23 19.93 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.237 -179.222 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 93.3 mt -98.52 122.71 50.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.168 177.295 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 65.1 mt -123.21 115.79 46.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.235 178.981 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 51.4 tt0 -105.23 119.64 39.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.148 -178.1 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 38.9 p90 -151.1 167.32 28.08 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.205 -169.864 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -104.36 -170.75 24.86 Favored Glycine 0 CA--C 1.524 0.629 0 N-CA-C 111.223 -0.751 . . . . 0.0 111.223 -176.1 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -72.87 -30.05 63.67 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.747 0.308 . . . . 0.0 111.198 -175.613 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 99.2 m-20 -66.75 -27.7 67.81 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.228 179.716 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 93.7 m-85 -98.55 -22.01 16.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.277 -176.235 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 75.4 p -62.8 -18.98 63.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.208 174.737 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 96.0 p -64.94 -16.04 62.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.248 177.177 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 74.1 mm-40 -103.0 -45.08 5.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.155 179.021 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 59.9 m-85 -61.38 -28.6 69.36 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.238 -170.337 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 -70.02 -24.18 63.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.215 -178.085 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 99.6 m-70 -111.88 -13.94 13.59 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.205 -172.782 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 57.3 mt -65.2 -35.21 80.34 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.189 177.547 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 33.5 m -77.0 -25.23 15.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.2 176.677 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 89.4 mt-30 -72.94 -24.9 60.87 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.108 175.715 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -90.62 8.44 34.2 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.218 176.777 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 90.6 mmt-85 -129.38 -1.17 5.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.206 177.133 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 75.01 26.24 67.15 Favored Glycine 0 CA--C 1.523 0.535 0 N-CA-C 111.191 -0.764 . . . . 0.0 111.191 174.745 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -98.33 -175.71 32.93 Favored Glycine 0 CA--C 1.523 0.589 0 N-CA-C 111.224 -0.75 . . . . 0.0 111.224 -179.178 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 93.7 mm-40 -122.04 174.19 7.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.799 0.333 . . . . 0.0 111.219 -179.837 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 41.1 ptt85 -166.34 153.47 9.56 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.242 175.491 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 89.1 tt0 -162.08 140.01 8.81 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.208 -178.895 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 37.5 t -57.17 116.92 3.55 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.204 176.915 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 63.3 tp60 -131.19 116.03 17.14 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.171 -176.434 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 88.6 tttt -64.94 125.1 23.83 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.163 172.995 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 51.1 mm -91.18 128.3 47.95 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.193 -179.386 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 77.3 Cg_exo -53.61 143.55 56.44 Favored 'Trans proline' 0 N--CA 1.457 -0.632 0 C-N-CA 121.704 1.603 . . . . 0.0 111.231 179.487 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 91.3 mt -57.19 -35.84 49.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.243 -177.013 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 98.9 m-20 -52.46 -39.39 61.06 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.221 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 64.8 mt-30 -86.45 -42.57 13.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.196 178.425 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 85.6 t80 -156.37 118.12 3.91 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.273 179.55 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -65.4 144.71 47.84 Favored Glycine 0 CA--C 1.523 0.553 0 N-CA-C 111.226 -0.749 . . . . 0.0 111.226 179.635 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 34.5 t 44.92 62.06 2.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.83 0.348 . . . . 0.0 111.284 -174.626 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -103.2 34.69 5.56 Favored Glycine 0 CA--C 1.523 0.562 0 N-CA-C 111.196 -0.762 . . . . 0.0 111.196 -179.296 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 57.2 p-10 -90.79 8.11 36.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.745 0.307 . . . . 0.0 111.185 -177.818 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 77.5 p -114.96 5.42 15.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.226 173.553 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -81.05 166.0 21.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.186 -177.083 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 32.6 ttm180 -140.06 130.81 25.85 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.201 177.182 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 62.4 tt0 -82.17 132.04 35.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.219 178.746 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 84' ' ' TYR . . . . . 0.519 ' HB2' ' HB ' ' A' ' 93' ' ' VAL . 88.4 m-85 -115.5 139.99 49.56 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.195 174.325 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 61.6 t -109.99 99.6 9.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.244 -172.531 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.438 HD13 ' HA ' ' A' ' 86' ' ' LEU . 2.5 mm? -117.07 159.25 22.84 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.18 -176.787 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 94.0 mmm 60.25 30.77 20.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.21 -179.25 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 96.4 m-20 65.05 31.22 11.29 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.234 -179.867 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 95.04 -3.35 66.89 Favored Glycine 0 CA--C 1.523 0.575 0 N-CA-C 111.21 -0.756 . . . . 0.0 111.21 176.182 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -75.34 -24.99 57.42 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.876 0.369 . . . . 0.0 111.222 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 52.4 tp -112.48 123.97 51.46 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.23 177.146 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -95.89 100.31 12.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.204 179.884 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 93' ' ' VAL . . . . . 0.519 ' HB ' ' HB2' ' A' ' 84' ' ' TYR . 60.8 t -104.9 113.42 41.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.242 -175.696 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 44.4 mm -110.0 124.18 66.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.236 -177.277 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -100.01 140.06 14.74 Favored Glycine 0 CA--C 1.523 0.557 0 N-CA-C 111.239 -0.744 . . . . 0.0 111.239 178.133 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 96.4 m-85 -123.46 149.87 44.56 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.853 0.359 . . . . 0.0 111.231 179.63 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 68.1 t0 -72.97 116.04 13.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.179 172.16 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 73.6 t80 -47.92 121.43 4.17 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.161 -171.503 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 52.4 m -142.01 120.5 12.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.173 178.101 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 94.7 m -65.58 -36.57 84.14 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.234 -173.726 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -74.87 -15.91 60.7 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.145 -175.977 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 66.6 mtt -106.06 7.5 31.86 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.16 -174.887 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 77.7 mt-30 -64.63 -44.49 90.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.154 179.495 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 66.8 m -64.72 -29.75 70.74 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.23 -176.73 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 96.9 mt -59.98 -48.43 87.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.169 175.86 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 96.7 mt -70.24 -41.56 78.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.183 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 89.1 mtm-85 -59.46 -43.61 93.16 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.16 -178.591 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 95.9 m-20 -63.19 -41.47 99.2 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.185 178.523 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 109' ' ' TYR . . . . . . . . . . . . . 72.8 t80 -71.29 -33.74 70.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.166 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 110' ' ' SER . . . . . 0.403 ' HA ' ' HB3' ' A' ' 7' ' ' ALA . 78.9 p -73.68 172.45 11.41 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.158 -171.592 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 54.9 m-20 -113.98 -34.6 5.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.198 173.862 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 56.5 tp -132.68 119.96 21.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.148 179.42 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 88.5 t -100.86 133.29 44.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.306 -176.205 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 114' ' ' ILE . . . . . 0.426 HD13 HD11 ' A' ' 168' ' ' LEU . 64.0 mt -113.46 113.67 44.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.174 178.456 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 47.2 t -100.39 154.22 18.69 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.194 176.58 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 80.4 m80 -125.88 113.38 17.14 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.194 -173.112 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . 50.38 47.63 23.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.213 174.294 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 164.63 -166.55 38.01 Favored Glycine 0 CA--C 1.524 0.633 0 N-CA-C 111.21 -0.756 . . . . 0.0 111.21 179.198 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 40.6 p -115.39 -108.08 0.37 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.745 0.307 . . . . 0.0 111.215 176.643 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 60.64 16.22 44.05 Favored Glycine 0 CA--C 1.523 0.54 0 N-CA-C 111.201 -0.76 . . . . 0.0 111.201 -178.373 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 20.0 m -141.05 -29.82 0.64 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.736 0.303 . . . . 0.0 111.162 -169.082 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 122' ' ' ILE . . . . . . . . . . . . . 41.4 pt -75.26 -16.02 15.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.282 -172.194 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 97.8 mt -66.37 -35.35 80.12 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.22 -174.654 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 70.8 m-20 -96.48 -32.77 12.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.227 178.594 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 33.5 t -60.84 -50.52 73.09 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.148 -179.777 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 89.9 mt -65.46 -44.41 87.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.186 -173.936 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 51.2 ptt85 -69.08 -21.86 64.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.24 -174.289 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 94.5 mt -102.4 6.85 40.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.192 -176.757 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 77.3 m-20 64.53 35.81 9.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.216 177.846 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 89.7 mttt -106.07 141.48 22.82 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.2 -178.178 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 58.5 Cg_endo -68.14 152.78 76.0 Favored 'Trans proline' 0 N--CA 1.458 -0.606 0 C-N-CA 121.695 1.597 . . . . 0.0 111.215 175.497 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 132' ' ' LEU . . . . . 0.446 ' O ' ' HA ' ' A' ' 158' ' ' VAL . 5.2 tt -140.35 129.75 23.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.173 179.578 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 96.6 mt -95.93 141.69 14.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.24 174.782 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 97.7 t -118.94 119.99 62.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.143 174.464 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 135' ' ' CYS . . . . . . . . . . . . . 89.6 m -89.82 134.07 34.39 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.102 174.506 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 66.0 t -105.55 134.93 45.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.142 -175.25 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 47.7 p30 . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.203 -172.825 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.803 0.335 . . . . 0.0 111.196 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 97.2 m-20 -66.07 -32.25 73.6 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.197 177.404 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 151' ' ' LYS . . . . . 0.417 ' HD3' ' HA ' ' A' ' 151' ' ' LYS . 69.0 mmtt -81.1 -30.32 34.67 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.25 179.657 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 152' ' ' PHE . . . . . . . . . . . . . 19.0 m-30 -63.24 -42.33 99.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.247 171.736 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 153' ' ' VAL . . . . . . . . . . . . . 62.5 t -69.5 -40.54 79.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.15 176.329 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 40.8 tt0 -52.9 -43.54 66.27 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.234 176.429 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 155' ' ' LEU . . . . . . . . . . . . . 56.7 tp -65.97 -52.17 51.99 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.19 174.018 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . 96.32 -5.15 65.1 Favored Glycine 0 CA--C 1.523 0.577 0 N-CA-C 111.143 -0.783 . . . . 0.0 111.143 174.53 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 157' ' ' TYR . . . . . . . . . . . . . 42.1 m-85 -112.12 -1.68 15.22 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.876 0.37 . . . . 0.0 111.235 -178.081 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 158' ' ' VAL . . . . . 0.446 ' HA ' ' O ' ' A' ' 132' ' ' LEU . 73.4 t -130.57 140.97 47.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.158 -179.661 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 159' ' ' TRP . . . . . . . . . . . . . 15.9 m-90 -129.36 140.39 51.39 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.256 -179.614 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 160' ' ' SER . . . . . . . . . . . . . 30.2 t -87.95 131.33 34.65 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.18 179.806 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 161' ' ' CYS . . . . . 0.405 ' SG ' ' HA3' ' A' ' 171' ' ' GLY . 91.1 m -115.49 145.09 42.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.225 173.372 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -78.97 156.16 77.19 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.131 175.662 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 163' ' ' PRO . . . . . . . . . . . . . 88.4 Cg_endo -78.91 61.3 8.07 Favored 'Trans proline' 0 N--CA 1.459 -0.559 0 C-N-CA 121.685 1.59 . . . . 0.0 111.223 -179.584 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 164' ' ' THR . . . . . . . . . . . . . 12.8 p -133.29 -179.87 5.78 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.223 179.841 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 165' ' ' GLU . . . . . . . . . . . . . 99.8 mt-10 -81.24 4.93 18.63 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.215 176.912 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 166' ' ' THR . . . . . . . . . . . . . 82.7 p -127.8 -24.57 3.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.173 -174.724 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 167' ' ' GLY . . . . . . . . . . . . . . . -58.68 -45.8 94.25 Favored Glycine 0 CA--C 1.523 0.581 0 N-CA-C 111.175 -0.77 . . . . 0.0 111.175 -174.962 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 168' ' ' LEU . . . . . 0.426 HD11 HD13 ' A' ' 114' ' ' ILE . 39.4 tp -68.48 -36.66 79.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.772 0.32 . . . . 0.0 111.109 -176.601 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 97.1 mt -59.42 -43.11 89.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.208 179.217 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 170' ' ' ALA . . . . . . . . . . . . . . . -64.93 -37.99 89.49 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.145 176.784 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 171' ' ' GLY . . . . . 0.405 ' HA3' ' SG ' ' A' ' 161' ' ' CYS . . . -64.97 -38.84 95.97 Favored Glycine 0 CA--C 1.523 0.571 0 N-CA-C 111.229 -0.748 . . . . 0.0 111.229 177.603 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 82.5 mt -64.18 -40.56 96.36 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.841 0.353 . . . . 0.0 111.227 178.004 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 173' ' ' ARG . . . . . . . . . . . . . 29.6 ttm180 -65.02 -41.11 95.6 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.179 175.241 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -64.98 -37.92 89.26 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.241 -177.607 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 59.5 p -65.05 -27.17 68.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.216 -177.495 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 176' ' ' GLN . . . . . . . . . . . . . 90.9 mm-40 -98.67 -26.25 14.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.213 -177.04 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 177' ' ' THR . . . . . . . . . . . . . 90.1 m -72.58 -39.96 66.99 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.194 178.42 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 178' ' ' GLU . . . . . . . . . . . . . 71.1 tt0 -85.55 109.16 18.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.188 -175.26 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 179' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -62.65 130.34 44.55 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.19 177.686 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 180' ' ' LEU . . . . . . . . . . . . . 58.4 mt . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.13 -175.635 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 . . . . . 0 C--O 1.232 0.163 0 CA-C-O 120.761 0.315 . . . . 0.0 111.242 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 6' ' ' LYS . . . . . 0.411 ' HB2' ' HA ' ' A' ' 39' ' ' PHE . 96.3 mttt -87.49 151.44 23.02 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.216 173.221 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -107.86 130.73 54.98 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.167 -175.099 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 21.5 tp -113.64 109.58 18.83 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.243 176.341 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 60.5 t80 -94.34 117.25 29.83 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.216 -176.732 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 59.5 t -115.04 118.36 58.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.186 -179.771 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 52.1 m -99.14 115.03 28.11 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.215 175.784 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 74.0 m -87.45 129.56 35.01 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.227 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -113.8 -167.05 16.22 Favored Glycine 0 CA--C 1.523 0.591 0 N-CA-C 111.218 -0.753 . . . . 0.0 111.218 -177.495 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -78.83 -22.45 46.14 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.779 0.323 . . . . 0.0 111.174 179.036 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 8.9 t -85.05 175.01 9.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.184 179.019 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 64.9 t 52.64 114.97 0.01 OUTLIER Pre-proline 0 C--N 1.329 -0.287 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.257 -167.525 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.407 ' O ' ' N ' ' A' ' 21' ' ' LEU . 76.9 Cg_exo -53.15 143.31 52.05 Favored 'Trans proline' 0 N--CA 1.459 -0.535 0 C-N-CA 121.697 1.598 . . . . 0.0 111.148 -177.672 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 18' ' ' PHE . . . . . 0.535 ' N ' ' HD2' ' A' ' 19' ' ' PRO . 10.5 m-30 -55.05 -48.52 95.86 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.228 -171.779 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 19' ' ' PRO . . . . . 0.535 ' HD2' ' N ' ' A' ' 18' ' ' PHE . 72.9 Cg_endo -74.34 -13.55 23.0 Favored 'Trans proline' 0 N--CA 1.459 -0.501 0 C-N-CA 121.685 1.59 . . . . 0.0 111.118 -177.953 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -102.87 0.3 32.31 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.239 172.142 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.463 HD23 ' C ' ' A' ' 21' ' ' LEU . 7.1 tt -95.16 -50.01 5.25 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.152 178.924 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 76.4 t -80.25 -34.33 14.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.194 -174.077 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 93.3 p -65.06 -19.76 66.15 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.279 -175.242 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 99.4 m -65.12 -42.65 93.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.208 179.35 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 33.0 m -95.67 -15.06 7.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.239 -174.511 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.467 HD23 ' HB2' ' A' ' 57' ' ' LEU . 2.6 mp -100.04 16.85 22.65 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.192 173.296 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 83.9 p -79.53 165.0 23.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.137 171.99 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 46.4 m-20 -80.38 -34.25 36.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.184 177.03 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -72.27 -38.6 68.78 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.144 -177.432 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 56.4 t80 -65.02 -51.27 62.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.239 176.447 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 95.5 m -68.13 -29.81 68.8 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.17 -176.42 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 65.2 tt0 -52.57 -58.15 7.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.18 178.558 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 92.8 mt-10 -75.41 -33.11 60.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.18 -179.541 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 31.9 tp -52.69 -49.74 64.71 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.173 178.941 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 43.6 mm -65.94 -39.16 83.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.121 178.83 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 87.3 mt-30 -68.2 -20.87 64.88 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.181 178.662 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 19.4 m-30 -87.63 -8.42 56.23 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.163 177.699 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 98.28 8.85 54.61 Favored Glycine 0 CA--C 1.523 0.582 0 N-CA-C 111.17 -0.772 . . . . 0.0 111.17 172.743 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.411 ' HA ' ' HB2' ' A' ' 6' ' ' LYS . 74.4 m-85 -90.03 123.7 34.14 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.829 0.347 . . . . 0.0 111.172 -177.404 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 78.7 t -125.25 -36.24 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.213 -177.745 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 98.4 mtt180 -90.05 88.35 7.25 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.206 -173.389 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.4 HD23 HG22 ' A' ' 93' ' ' VAL . 54.5 tp -82.31 109.95 17.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.19 178.194 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 73.8 mt -109.15 111.29 35.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.188 -171.502 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 43.8 mm -104.42 114.98 45.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.154 -169.366 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 51.1 tt0 -96.94 126.08 41.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.204 172.017 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' PHE . . . . . 0.457 ' HB2' ' CD1' ' A' ' 50' ' ' TYR . 53.5 p90 -151.17 169.9 20.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.206 178.889 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -94.09 -59.24 1.18 Allowed Glycine 0 CA--C 1.524 0.642 0 N-CA-C 111.248 -0.741 . . . . 0.0 111.248 177.622 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 51.4 ptt85 -170.65 151.7 3.62 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.834 0.35 . . . . 0.0 111.14 179.451 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 52.2 t30 64.95 38.72 6.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.293 178.725 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 50' ' ' TYR . . . . . 0.457 ' CD1' ' HB2' ' A' ' 46' ' ' PHE . 93.3 m-85 -120.31 -43.63 2.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.202 171.469 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 91.0 p -66.63 -15.12 63.24 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.198 174.973 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 94.4 p -67.98 -29.84 68.96 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.283 171.321 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 77.3 mm-40 -79.94 -33.22 39.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.197 177.664 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 44.9 m-85 -61.85 -43.28 99.16 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.191 172.6 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 39.7 tt0 -57.0 -48.47 78.38 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.146 176.625 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 82.0 t60 -57.13 -50.38 72.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.224 -178.475 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.467 ' HB2' HD23 ' A' ' 26' ' ' LEU . 93.7 mt -74.15 -39.11 63.49 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.127 -171.037 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 66.8 t -69.91 -39.85 78.08 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.232 179.679 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 73.1 tp60 -65.04 -36.99 86.12 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.19 172.834 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -63.52 -38.0 89.44 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.208 175.246 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 83.4 mtt-85 -71.01 -30.1 66.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.144 175.36 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 88.46 31.08 14.21 Favored Glycine 0 CA--C 1.523 0.54 0 N-CA-C 111.189 -0.764 . . . . 0.0 111.189 178.997 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -89.56 -165.07 40.65 Favored Glycine 0 CA--C 1.523 0.545 0 N-CA-C 111.174 -0.77 . . . . 0.0 111.174 179.466 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 97.0 mm-40 -103.89 157.61 16.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.791 0.329 . . . . 0.0 111.207 177.642 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 52.0 ptt85 -166.34 154.96 10.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.125 -173.87 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -154.45 131.05 10.64 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.198 176.159 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 33.3 t -79.51 139.89 37.43 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.149 176.904 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 88.9 mm-40 -117.94 147.88 42.72 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.228 -176.429 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 95.8 mttt -124.34 90.01 3.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.228 168.813 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 79.5 mt -104.57 132.65 20.73 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.153 -163.713 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 74.9 Cg_exo -54.95 130.02 38.45 Favored 'Trans proline' 0 N--CA 1.458 -0.605 0 C-N-CA 121.701 1.601 . . . . 0.0 111.169 179.556 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 97.0 mt -74.12 -39.47 50.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.19 176.067 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 98.3 m-20 -67.04 -26.37 66.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.164 -176.156 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 98.2 mm-40 -98.2 -44.86 6.42 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.166 -174.401 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 90.7 m-85 -115.96 -41.72 3.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.175 -173.894 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 113.05 -13.7 23.99 Favored Glycine 0 CA--C 1.524 0.605 0 N-CA-C 111.195 -0.762 . . . . 0.0 111.195 173.954 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 86.8 m -75.87 161.44 28.98 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.784 0.326 . . . . 0.0 111.198 177.223 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -100.5 -155.25 27.5 Favored Glycine 0 CA--C 1.522 0.53 0 N-CA-C 111.232 -0.747 . . . . 0.0 111.232 -175.762 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 57.7 p-10 -104.71 5.02 33.1 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.852 0.358 . . . . 0.0 111.207 176.727 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 72.1 p -98.27 -5.64 32.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.153 172.294 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -55.81 133.93 51.43 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.237 175.85 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -139.92 144.98 37.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.252 177.944 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 84.9 mt-30 -113.28 142.82 45.38 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.222 179.391 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 84' ' ' TYR . . . . . 0.415 ' HB2' ' HB ' ' A' ' 93' ' ' VAL . 53.5 m-85 -137.42 150.08 47.37 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.158 -176.007 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 74.9 t -118.71 115.11 47.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.149 -179.231 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 93.3 mt -126.92 167.62 15.61 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.204 -175.952 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 98.2 mmm 59.96 30.48 19.98 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.265 178.323 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 96.4 m-20 64.95 33.88 9.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.189 178.142 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 95.9 -3.92 65.25 Favored Glycine 0 CA--C 1.523 0.565 0 N-CA-C 111.245 -0.742 . . . . 0.0 111.245 176.241 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -79.3 -23.76 43.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.814 0.34 . . . . 0.0 111.229 -179.055 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 68.7 tp -115.0 120.05 38.57 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.218 177.064 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 94.1 mttt -106.64 115.1 29.62 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.267 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 93' ' ' VAL . . . . . 0.415 ' HB ' ' HB2' ' A' ' 84' ' ' TYR . 50.5 t -109.38 120.8 61.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.162 -172.87 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 80.9 mt -128.39 118.69 48.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.177 176.947 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -101.71 158.9 18.48 Favored Glycine 0 CA--C 1.523 0.59 0 N-CA-C 111.178 -0.769 . . . . 0.0 111.178 176.14 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 48.9 p90 -154.78 158.34 39.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.818 0.342 . . . . 0.0 111.194 176.619 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 67.7 t0 -82.92 121.24 26.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.218 172.097 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 26.8 p90 -50.09 146.76 4.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.131 -174.083 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 59.5 p -155.03 -177.48 6.57 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.227 179.618 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 75.7 p -95.34 4.83 53.01 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.185 172.856 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 76.0 mmtt -105.93 -24.79 12.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.255 -178.882 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 91.5 mmm -80.07 -8.94 59.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.193 178.232 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 99.1 mm-40 -57.62 -36.82 72.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.192 -173.867 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 45.5 t -67.96 -50.04 58.18 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.213 178.649 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 94.6 mt -59.89 -39.72 80.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.23 -179.866 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 94.9 mt -60.3 -47.38 92.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.193 178.455 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -74.58 -30.03 61.55 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.288 -178.142 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -74.0 -35.04 64.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.179 -178.866 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 109' ' ' TYR . . . . . . . . . . . . . 89.2 m-85 -125.08 80.09 1.85 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.148 -176.278 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 41.2 t -155.31 118.25 4.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.207 176.744 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 60.5 m-20 -110.86 -33.56 6.49 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.223 177.342 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 68.3 tp -128.92 132.02 47.62 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.171 171.487 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 96.0 t -113.62 119.5 61.08 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.189 -176.0 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 114' ' ' ILE . . . . . 0.403 HG12 ' HB ' ' A' ' 133' ' ' ILE . 97.2 mt -107.58 130.05 60.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.147 169.729 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 43.0 t -123.4 133.91 54.03 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.217 179.908 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 99.6 m-70 -100.96 81.95 2.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.161 169.771 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . 57.38 50.63 11.08 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.237 -176.243 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -95.5 -178.9 36.78 Favored Glycine 0 CA--C 1.524 0.644 0 N-CA-C 111.224 -0.75 . . . . 0.0 111.224 172.263 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 45.7 m -124.96 -59.44 1.42 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.864 0.364 . . . . 0.0 111.19 176.323 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -64.89 -32.64 84.88 Favored Glycine 0 CA--C 1.524 0.601 0 N-CA-C 111.22 -0.752 . . . . 0.0 111.22 -176.976 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 75.0 m -66.52 -41.26 89.05 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.903 0.382 . . . . 0.0 111.255 177.948 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 122' ' ' ILE . . . . . . . . . . . . . 63.8 mt -61.05 -44.97 99.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.163 175.231 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 92.3 mt -70.4 -49.3 50.41 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.224 -174.987 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 87.3 m-20 -71.95 -31.51 66.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.146 -172.466 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 47.2 t -53.49 -45.3 69.61 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.233 173.321 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 96.2 mt -74.72 -32.14 62.05 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.215 179.794 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 51.4 mtp180 -63.26 -31.33 72.45 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.135 175.459 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 95.7 mt -88.35 -5.0 58.57 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.22 178.808 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 56.5 t30 63.28 41.6 7.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.157 -176.218 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 37.9 mmtm -114.39 146.54 36.07 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.233 179.756 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 61.4 Cg_exo -55.02 141.39 79.17 Favored 'Trans proline' 0 N--CA 1.458 -0.607 0 C-N-CA 121.757 1.638 . . . . 0.0 111.174 179.688 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 63.3 tp -121.32 115.19 22.49 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.15 -174.821 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 133' ' ' ILE . . . . . 0.403 ' HB ' HG12 ' A' ' 114' ' ' ILE . 70.5 mt -107.1 126.83 63.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.2 173.405 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 77.6 t -120.44 121.91 66.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.215 179.552 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 135' ' ' CYS . . . . . . . . . . . . . 53.9 t -121.76 113.97 20.44 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.14 -178.22 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 28.3 m -135.05 158.39 41.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.141 -169.583 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 58.1 t-20 . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.257 171.853 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.075 0 CA-C-O 120.753 0.311 . . . . 0.0 111.162 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 98.9 m-20 -63.06 -49.11 75.83 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.178 179.822 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 151' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -71.99 -31.75 66.56 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.212 -178.758 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 152' ' ' PHE . . . . . . . . . . . . . 1.3 t80 -61.68 -50.34 72.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.232 -178.55 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 153' ' ' VAL . . . . . . . . . . . . . 8.3 p -75.67 -25.07 17.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.173 178.898 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -63.41 -39.41 94.41 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.258 175.659 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 155' ' ' LEU . . . . . . . . . . . . . 97.6 mt -74.07 -19.57 60.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.179 179.788 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . 83.76 34.07 19.89 Favored Glycine 0 CA--C 1.523 0.531 0 N-CA-C 111.237 -0.745 . . . . 0.0 111.237 173.48 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 157' ' ' TYR . . . . . . . . . . . . . 34.3 m-85 -113.05 18.66 17.86 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.859 0.361 . . . . 0.0 111.267 179.419 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 158' ' ' VAL . . . . . . . . . . . . . 11.6 p -162.02 150.52 4.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.199 -178.146 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 159' ' ' TRP . . . . . . . . . . . . . 19.2 m-90 -96.53 111.85 23.81 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.202 168.93 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 160' ' ' SER . . . . . . . . . . . . . 32.1 t -90.84 130.45 36.79 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.17 -177.421 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 161' ' ' CYS . . . . . . . . . . . . . 89.3 m -118.8 151.4 38.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.147 -178.664 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -72.75 154.95 91.16 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.249 175.79 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 163' ' ' PRO . . . . . . . . . . . . . 88.1 Cg_endo -76.33 64.64 7.2 Favored 'Trans proline' 0 N--CA 1.458 -0.588 0 C-N-CA 121.717 1.611 . . . . 0.0 111.186 179.296 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 164' ' ' THR . . . . . . . . . . . . . 12.5 t -159.97 -179.81 8.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.231 -179.307 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 165' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -64.98 -49.96 68.21 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.161 -171.928 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 166' ' ' THR . . . . . . . . . . . . . 81.2 p -80.89 -17.14 51.6 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.118 -172.143 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 167' ' ' GLY . . . . . . . . . . . . . . . -64.93 -49.58 62.23 Favored Glycine 0 CA--C 1.523 0.576 0 N-CA-C 111.216 -0.754 . . . . 0.0 111.216 179.512 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 168' ' ' LEU . . . . . . . . . . . . . 31.4 tp -70.33 -34.4 72.63 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.87 0.367 . . . . 0.0 111.2 179.417 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 96.8 mt -61.25 -42.14 92.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.186 177.647 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 170' ' ' ALA . . . . . . . . . . . . . . . -60.79 -38.87 86.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.211 175.836 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 171' ' ' GLY . . . . . . . . . . . . . . . -64.77 -41.38 97.62 Favored Glycine 0 CA--C 1.523 0.57 0 N-CA-C 111.244 -0.742 . . . . 0.0 111.244 177.989 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 59.1 tp -54.94 -48.97 72.45 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.882 0.372 . . . . 0.0 111.229 177.953 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 173' ' ' ARG . . . . . . . . . . . . . 39.9 ttm180 -65.51 -40.85 93.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.203 176.686 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -65.01 -33.18 75.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.205 -173.643 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 53.2 p -64.96 -21.11 66.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.266 -179.723 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 176' ' ' GLN . . . . . . . . . . . . . 93.7 mm-40 -102.82 -33.45 9.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.206 -177.671 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 177' ' ' THR . . . . . . . . . . . . . 99.0 m -74.56 -43.99 53.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.192 -178.333 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 178' ' ' GLU . . . . . . . . . . . . . 73.4 mm-40 -117.04 175.87 5.39 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.169 -173.289 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 179' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -129.79 166.49 19.8 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.16 177.845 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 180' ' ' LEU . . . . . . . . . . . . . 89.7 mt . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.213 -179.925 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 7.4 tp10 . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.828 0.347 . . . . 0.0 111.206 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 46.4 mtmt -56.31 112.04 1.13 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.179 -179.751 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -138.4 149.44 45.53 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.227 179.121 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.401 HD21 HD23 ' A' ' 112' ' ' LEU . 30.9 mt -90.65 141.15 29.08 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.195 177.108 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 75.6 m-85 -129.98 118.02 20.96 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.175 167.124 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.422 HG22 ' HB ' ' A' ' 114' ' ' ILE . 89.7 t -103.11 134.19 44.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.216 -176.88 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 92.7 m -116.58 114.47 24.16 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.207 173.604 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 52.7 t -93.18 124.71 37.35 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.26 172.21 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -75.63 171.61 54.22 Favored Glycine 0 CA--C 1.522 0.525 0 N-CA-C 111.23 -0.748 . . . . 0.0 111.23 177.536 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -68.95 -34.92 76.14 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.784 0.326 . . . . 0.0 111.194 -177.052 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 76.2 p -94.82 -9.32 34.78 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.155 -179.102 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 96.2 t -72.54 128.78 88.05 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.247 -179.587 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 48.1 Cg_endo -66.57 106.36 1.06 Allowed 'Trans proline' 0 N--CA 1.457 -0.661 0 C-N-CA 121.692 1.595 . . . . 0.0 111.218 178.537 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' PHE . . . . . 0.561 ' N ' ' CD ' ' A' ' 19' ' ' PRO . 80.3 t80 -72.01 -41.62 8.98 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.225 -179.436 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 19' ' ' PRO . . . . . 0.561 ' CD ' ' N ' ' A' ' 18' ' ' PHE . 80.8 Cg_exo -54.08 -31.76 66.21 Favored 'Trans proline' 0 N--CA 1.458 -0.586 0 C-N-CA 121.69 1.594 . . . . 0.0 111.21 -178.802 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 96.7 mttt -88.77 -37.96 15.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.135 177.317 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 68.9 tp -64.07 -58.37 6.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.233 -176.423 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 9.9 p -62.65 -26.07 39.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.154 -173.57 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 58.6 m -64.76 -50.0 68.54 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.199 175.933 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 97.0 m -64.97 -37.0 86.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.237 177.659 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 56.6 t -64.18 -39.17 84.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.204 179.209 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 82.7 mt -107.33 31.84 5.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.219 -177.577 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 55.7 m -70.58 148.87 47.68 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.242 173.309 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 90.4 m-20 -65.27 -48.36 73.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.203 -176.173 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -68.51 -34.98 76.84 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.177 179.684 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 79.3 t80 -58.26 -52.96 63.39 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.224 175.451 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 85.0 m -70.1 -28.0 65.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.234 -176.733 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 65.8 tt0 -60.95 -60.05 4.41 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.186 178.478 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -67.5 -33.24 74.68 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.182 177.793 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.427 ' HG ' ' HB2' ' A' ' 39' ' ' PHE . 45.0 tp -54.98 -49.92 70.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.155 178.615 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 87.0 mt -61.31 -37.62 78.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.135 178.433 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 88.8 mt-30 -67.47 -20.88 65.53 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.268 -0.423 . . . . 0.0 111.2 177.331 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 22.4 m-30 -88.78 -4.56 58.47 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.162 179.216 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 98.9 10.9 48.17 Favored Glycine 0 CA--C 1.523 0.59 0 N-CA-C 111.153 -0.779 . . . . 0.0 111.153 174.6 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.427 ' HB2' ' HG ' ' A' ' 34' ' ' LEU . 75.8 m-85 -104.09 105.59 15.81 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.768 0.318 . . . . 0.0 111.183 177.653 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 34.3 m -119.5 -0.91 8.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.211 -177.692 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 70.9 mtt85 -125.33 139.97 53.22 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.162 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 23.6 tp -143.82 135.91 26.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.163 -176.103 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.502 HG12 ' HB ' ' A' ' 94' ' ' ILE . 46.4 mt -122.07 129.39 75.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.197 166.857 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 81.0 mt -109.4 122.44 64.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.164 -177.253 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 61.3 tt0 -92.45 119.95 32.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.275 178.664 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 48.3 p90 -149.98 164.96 34.11 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.154 -175.005 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -94.96 -166.72 35.88 Favored Glycine 0 CA--C 1.524 0.622 0 N-CA-C 111.216 -0.754 . . . . 0.0 111.216 -175.028 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -76.61 -38.34 54.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.763 0.316 . . . . 0.0 111.217 -177.348 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 99.3 m-20 -74.2 -36.67 64.0 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.167 176.894 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 15.9 m-30 -85.71 60.32 6.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.177 -178.384 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 88.4 p -134.89 -7.54 2.39 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.218 -177.152 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 69.9 m -65.46 -58.95 4.58 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.196 -176.515 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 66.9 mm-40 -75.45 -16.66 60.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.216 -176.234 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 70.4 t80 -55.88 -52.39 64.24 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.183 179.195 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 56.7 mt-10 -87.01 -23.22 25.08 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.245 -175.907 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 62.5 m170 -60.2 -43.71 95.7 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.232 179.701 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 94.2 mt -65.49 -29.65 70.33 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.23 -178.882 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 75.3 t -73.25 -37.67 52.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.209 177.563 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 88.2 mt-30 -66.16 -31.5 72.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.109 176.882 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -64.23 -31.64 72.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.213 176.832 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 74.5 mmt-85 -96.66 -17.13 20.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.188 -175.902 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 87.21 33.89 11.35 Favored Glycine 0 CA--C 1.523 0.587 0 N-CA-C 111.23 -0.748 . . . . 0.0 111.23 176.554 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -75.87 175.77 51.73 Favored Glycine 0 CA--C 1.523 0.565 0 N-CA-C 111.267 -0.733 . . . . 0.0 111.267 177.975 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 64' ' ' GLN . . . . . 0.479 ' HG3' ' HG3' ' A' ' 66' ' ' GLU . 62.4 tp60 -130.1 113.78 14.94 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.873 0.368 . . . . 0.0 111.114 -176.906 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 53.0 ttp180 -61.05 113.15 2.39 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.115 172.196 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 66' ' ' GLU . . . . . 0.479 ' HG3' ' HG3' ' A' ' 64' ' ' GLN . 93.8 mt-10 -127.43 118.68 24.53 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.218 176.554 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 39.6 t -73.01 131.12 41.74 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.154 175.363 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 89.8 mm-40 -129.64 137.86 50.89 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.228 -174.78 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 96.9 mttt -95.15 75.52 3.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.174 173.594 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 87.6 mt -87.64 135.91 33.53 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.198 -169.677 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 71.1 Cg_endo -72.42 142.07 36.27 Favored 'Trans proline' 0 N--CA 1.458 -0.58 0 C-N-CA 121.69 1.593 . . . . 0.0 111.23 177.536 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 96.6 mt -82.33 -45.4 19.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.199 177.373 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 99.8 m-20 -63.8 -36.59 84.41 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.157 -175.061 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 99.5 mm-40 -88.48 -66.57 0.9 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.217 -178.249 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 63.0 t80 -77.25 -54.69 6.18 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.21 -174.609 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 123.7 17.61 3.12 Favored Glycine 0 CA--C 1.524 0.627 0 N-CA-C 111.205 -0.758 . . . . 0.0 111.205 176.343 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 77' ' ' CYS . . . . . 0.484 ' HA ' ' SD ' ' A' ' 102' ' ' MET . 42.0 t -136.79 152.14 49.96 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.789 0.328 . . . . 0.0 111.228 -178.328 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -74.0 174.67 48.88 Favored Glycine 0 CA--C 1.523 0.571 0 N-CA-C 111.236 -0.745 . . . . 0.0 111.236 -176.006 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 57.6 p-10 -94.44 15.91 16.57 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.78 0.324 . . . . 0.0 111.17 -173.619 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 40.1 p -113.56 38.33 2.95 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.225 174.472 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -85.85 137.96 32.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.237 -169.261 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 84.2 mtt85 -109.99 99.66 8.73 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.192 169.239 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 62.7 tt0 -85.43 135.21 33.96 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.257 -175.118 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 84.8 m-85 -124.19 145.42 49.34 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.177 178.166 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 88.8 t -102.83 111.72 33.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.249 -171.737 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 93.9 mt -123.8 161.89 24.33 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.149 177.407 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 92.1 mmm 59.93 30.51 20.02 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.235 178.217 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 96.4 m-20 65.09 34.33 8.81 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.215 178.562 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 95.02 -2.92 66.54 Favored Glycine 0 CA--C 1.523 0.589 0 N-CA-C 111.209 -0.756 . . . . 0.0 111.209 175.424 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -82.5 -20.26 37.12 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.726 0.298 . . . . 0.0 111.219 -178.646 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 61.1 tp -120.4 123.54 43.31 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.208 176.083 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -110.38 105.65 14.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.16 -178.405 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 74.0 t -108.41 126.29 65.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.194 -174.73 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 94' ' ' ILE . . . . . 0.502 ' HB ' HG12 ' A' ' 43' ' ' ILE . 98.7 mt -113.48 131.98 63.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.222 178.686 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -76.21 127.31 8.73 Favored Glycine 0 CA--C 1.523 0.565 0 N-CA-C 111.22 -0.752 . . . . 0.0 111.22 175.18 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 54.5 t80 -64.74 120.78 13.09 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.861 0.362 . . . . 0.0 111.227 -178.732 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 36.7 t0 -145.06 43.58 1.33 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.242 171.043 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 43.3 m-85 -120.01 -179.89 4.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.213 -164.132 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 65.1 p -94.61 -170.05 2.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.146 -177.401 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 16.6 m -62.45 -22.18 66.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.251 -179.439 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -56.88 -32.03 65.44 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.25 177.906 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 102' ' ' MET . . . . . 0.484 ' SD ' ' HA ' ' A' ' 77' ' ' CYS . 92.5 mmm -88.99 -27.13 21.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.138 177.013 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 92.3 mt-30 -63.59 -33.35 75.41 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.165 176.31 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 41.1 t -65.87 -43.06 89.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.229 170.256 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 105' ' ' ILE . . . . . 0.457 HD12 ' SD ' ' A' ' 102' ' ' MET . 64.0 mt -65.26 -35.95 76.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.169 -177.926 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 71.6 mt -55.44 -31.69 28.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.213 178.389 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 80.0 mtm180 -109.86 -33.07 6.84 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.137 -170.361 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 67.3 m-20 -102.19 -50.55 3.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.17 -169.635 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 109' ' ' TYR . . . . . 0.401 ' HB2' HG23 ' A' ' 105' ' ' ILE . 93.2 m-85 -95.49 -5.14 43.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.13 -172.674 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 87.5 p -66.05 164.84 14.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.258 170.614 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 34.3 t70 -107.74 -38.55 5.83 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.181 172.713 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 112' ' ' LEU . . . . . 0.401 HD23 HD21 ' A' ' 8' ' ' LEU . 60.5 tp -138.01 116.01 11.64 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.241 179.878 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 85.2 t -94.2 136.63 25.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.227 -176.645 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 114' ' ' ILE . . . . . 0.422 ' HB ' HG22 ' A' ' 10' ' ' VAL . 90.0 mt -123.19 131.56 73.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.194 176.396 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 22.7 t -162.55 162.44 27.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.198 176.013 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 116' ' ' HIS . . . . . 0.434 ' HA ' ' HB3' ' A' ' 135' ' ' CYS . 63.1 t-80 -85.61 146.03 27.06 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.217 176.318 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 117' ' ' ALA . . . . . 0.443 ' HA ' HD13 ' A' ' 122' ' ' ILE . . . -54.29 132.86 44.56 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.193 177.087 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 107.18 15.27 16.44 Favored Glycine 0 CA--C 1.523 0.591 0 N-CA-C 111.198 -0.761 . . . . 0.0 111.198 172.483 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 48.2 p -106.59 172.55 6.75 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.757 0.313 . . . . 0.0 111.217 174.738 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -85.7 -30.81 22.96 Favored Glycine 0 CA--C 1.523 0.575 0 N-CA-C 111.251 -0.74 . . . . 0.0 111.251 174.096 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 42.7 t -64.74 -38.97 92.81 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.803 0.335 . . . . 0.0 111.14 178.65 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 122' ' ' ILE . . . . . 0.493 HG13 HD11 ' A' ' 132' ' ' LEU . 13.7 tt -69.78 -19.98 23.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.205 -178.805 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 90.7 mt -93.0 -24.75 18.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.161 -179.782 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 87.2 m-20 -64.38 -37.83 88.88 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.151 175.926 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 74.6 m -62.3 -32.59 73.35 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.27 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 81.2 mt -64.3 -49.77 70.49 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.218 178.521 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 46.1 ptt85 -75.1 -20.0 59.67 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.196 -176.554 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 95.9 mt -93.61 -9.31 38.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.199 179.199 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 91.9 m-20 63.46 38.47 9.89 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.253 -179.48 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 12.9 mmmm -101.01 140.78 21.58 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.215 -179.373 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 71.3 Cg_exo -49.83 131.41 29.37 Favored 'Trans proline' 0 N--CA 1.459 -0.535 0 C-N-CA 121.67 1.58 . . . . 0.0 111.157 176.459 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 132' ' ' LEU . . . . . 0.493 HD11 HG13 ' A' ' 122' ' ' ILE . 58.8 tp -140.33 126.99 20.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.188 -168.02 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 89.6 mt -99.29 116.82 43.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.19 167.682 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 93.6 t -92.17 99.05 9.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.245 -177.615 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 135' ' ' CYS . . . . . 0.434 ' HB3' ' HA ' ' A' ' 116' ' ' HIS . 51.8 t -77.92 138.2 38.75 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.198 -178.514 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 33.3 m -124.23 154.98 31.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.193 178.692 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 46.4 p30 . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.26 178.595 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.84 0.352 . . . . 0.0 111.184 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 94.4 m-20 -70.49 -14.98 62.75 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.151 179.467 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 151' ' ' LYS . . . . . . . . . . . . . 75.4 mmtt -102.82 -34.03 9.14 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.167 176.07 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 152' ' ' PHE . . . . . . . . . . . . . 16.0 m-30 -74.49 -28.18 60.89 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.141 179.694 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 153' ' ' VAL . . . . . . . . . . . . . 9.9 p -58.45 -24.74 25.85 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.189 178.209 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -81.29 -27.82 34.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.182 178.048 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 155' ' ' LEU . . . . . . . . . . . . . 96.3 mt -68.7 -38.99 80.69 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.144 -176.45 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . 95.03 -45.26 2.11 Favored Glycine 0 CA--C 1.524 0.611 0 N-CA-C 111.147 -0.781 . . . . 0.0 111.147 171.165 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 157' ' ' TYR . . . . . . . . . . . . . 51.8 p90 -108.61 -3.87 17.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.816 0.341 . . . . 0.0 111.178 -177.448 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 158' ' ' VAL . . . . . . . . . . . . . 60.5 t -108.77 125.46 65.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.183 173.771 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 159' ' ' TRP . . . . . . . . . . . . . 89.7 m95 -137.79 142.42 40.86 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.246 -178.867 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 160' ' ' SER . . . . . . . . . . . . . 13.3 t -97.7 149.64 22.06 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.152 -171.495 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 161' ' ' CYS . . . . . 0.494 ' SG ' ' HA ' ' A' ' 168' ' ' LEU . 71.6 m -87.75 162.82 16.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.175 172.149 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -91.49 154.8 44.36 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.187 173.026 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 163' ' ' PRO . . . . . . . . . . . . . 97.2 Cg_endo -74.98 67.31 5.94 Favored 'Trans proline' 0 N--CA 1.459 -0.551 0 C-N-CA 121.716 1.611 . . . . 0.0 111.214 178.701 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 164' ' ' THR . . . . . . . . . . . . . 14.1 t -157.95 -178.19 7.12 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.183 -177.309 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 165' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -70.12 -33.48 71.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.222 -173.085 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 166' ' ' THR . . . . . . . . . . . . . 70.3 p -101.84 21.15 15.06 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.214 -179.73 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 167' ' ' GLY . . . . . . . . . . . . . . . -62.6 -48.39 81.99 Favored Glycine 0 CA--C 1.524 0.61 0 N-CA-C 111.208 -0.757 . . . . 0.0 111.208 -178.142 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 168' ' ' LEU . . . . . 0.494 ' HA ' ' SG ' ' A' ' 161' ' ' CYS . 23.2 tp -65.03 -32.94 74.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.84 0.352 . . . . 0.0 111.226 179.815 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 97.3 mt -64.02 -41.4 92.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.265 175.578 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 170' ' ' ALA . . . . . . . . . . . . . . . -65.01 -39.43 93.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.197 176.712 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 171' ' ' GLY . . . . . . . . . . . . . . . -62.86 -45.68 95.19 Favored Glycine 0 CA--C 1.523 0.557 0 N-CA-C 111.167 -0.773 . . . . 0.0 111.167 177.856 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 57.7 tp -59.12 -56.56 20.61 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.81 0.338 . . . . 0.0 111.172 176.212 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 173' ' ' ARG . . . . . . . . . . . . . 38.1 ttm180 -53.88 -45.02 70.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.234 -179.331 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -59.3 -45.45 91.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.231 -177.307 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 68.9 p -73.26 -25.31 60.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.207 -176.145 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 176' ' ' GLN . . . . . . . . . . . . . 89.5 mm-40 -102.68 -6.26 22.89 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.181 -175.062 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 177' ' ' THR . . . . . . . . . . . . . 63.8 m -97.87 -48.76 5.06 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.173 174.577 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 178' ' ' GLU . . . . . . . . . . . . . 73.6 mm-40 -79.97 145.39 32.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.169 -179.561 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 179' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -64.89 129.95 41.64 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.262 -178.363 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 180' ' ' LEU . . . . . . . . . . . . . 85.7 mt . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.156 176.582 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.758 0.314 . . . . 0.0 111.224 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 85.5 mttt -74.24 157.25 36.2 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.214 175.57 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -164.82 173.8 11.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.193 -171.613 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.457 HD13 ' C ' ' A' ' 8' ' ' LEU . 3.1 tm? -95.89 121.05 37.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.23 172.707 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 85.1 t80 -84.47 125.34 32.29 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.223 -177.469 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.411 ' HB ' HG12 ' A' ' 44' ' ' ILE . 91.5 t -117.85 135.75 57.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.205 174.77 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 93.5 m -95.02 118.36 31.71 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.19 176.574 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 71.7 m -131.81 59.86 1.69 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.211 165.565 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -74.35 170.16 53.67 Favored Glycine 0 CA--C 1.522 0.512 0 N-CA-C 111.205 -0.758 . . . . 0.0 111.205 -175.693 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -73.68 -33.98 64.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.819 0.343 . . . . 0.0 111.24 -172.304 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 99.0 m -73.41 -50.09 23.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.181 -171.206 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 95.5 t -78.82 130.45 70.37 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.211 -173.847 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_exo -57.31 130.89 41.65 Favored 'Trans proline' 0 N--CA 1.457 -0.635 0 C-N-CA 121.68 1.587 . . . . 0.0 111.2 176.468 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 88.8 m-85 -133.98 69.85 74.74 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.226 168.959 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 36.2 Cg_endo -67.25 -61.5 0.08 OUTLIER 'Trans proline' 0 N--CA 1.458 -0.592 0 C-N-CA 121.736 1.624 . . . . 0.0 111.219 -177.358 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -117.67 4.64 12.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.202 178.878 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 95.9 mt -71.69 -23.8 61.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.21 -175.939 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 71.5 t -74.41 -40.33 49.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.22 175.948 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 85.0 p -68.38 -25.14 64.92 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.173 -179.332 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 98.7 m -71.83 -40.1 69.32 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.222 173.503 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 55.5 t -64.46 -37.38 79.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.235 174.495 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 97.4 mt -104.86 34.85 2.99 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.2 -176.651 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 55.4 p -75.88 159.47 30.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.208 173.398 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 97.9 m-20 -63.1 -40.03 96.43 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.172 178.765 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -73.39 -40.28 64.45 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.172 -176.071 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 59.8 t80 -61.85 -52.84 62.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.218 179.39 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 98.8 m -66.16 -36.28 82.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.202 -178.439 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 66.2 tt0 -56.22 -46.02 79.67 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.219 179.69 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 91.0 mt-10 -88.94 -22.38 23.11 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.181 -177.373 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 47.2 tp -53.78 -44.81 70.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.255 179.621 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 45.0 pt -74.21 -13.28 15.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.192 -179.776 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 67.6 mt-30 -94.93 -5.27 45.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.225 179.438 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 40.8 m-85 -105.06 10.83 33.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.217 172.935 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 86.86 27.23 29.56 Favored Glycine 0 CA--C 1.524 0.64 0 N-CA-C 111.114 -0.794 . . . . 0.0 111.114 174.68 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 81.8 m-85 -122.38 74.79 1.2 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.893 0.377 . . . . 0.0 111.206 176.167 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 33.1 m -83.48 -10.09 11.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.152 177.474 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 61.4 ttm-85 -112.19 120.74 42.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.168 172.481 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 63.4 tp -113.2 119.88 39.3 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.133 179.473 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.49 HG23 ' CD1' ' A' ' 96' ' ' PHE . 69.8 mt -114.32 114.88 47.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.228 -175.758 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.411 HG12 ' HB ' ' A' ' 10' ' ' VAL . 62.2 mt -114.64 113.51 43.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.24 -175.42 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 20.0 tm0? -81.62 117.46 22.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.217 178.311 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 70.1 m-85 -104.36 137.76 41.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.247 -178.629 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -83.43 -168.79 43.96 Favored Glycine 0 CA--C 1.523 0.586 0 N-CA-C 111.195 -0.762 . . . . 0.0 111.195 173.833 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 84.2 mtp180 -80.36 -19.83 45.52 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.776 0.322 . . . . 0.0 111.154 -177.605 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 92.8 m-20 -85.27 -13.93 48.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.206 -178.315 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 77.7 m-85 -124.39 104.06 8.55 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.198 -174.551 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 91.5 p -78.74 159.72 27.79 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.223 177.51 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 46.6 t -101.34 90.95 4.28 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.158 178.674 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 61.2 mm-40 -123.65 71.04 1.07 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.204 -177.444 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 82.3 m-85 -118.77 26.4 9.58 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.187 -174.319 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 25.1 pt-20 -73.76 -13.07 60.89 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.141 176.088 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 99.0 m-70 -89.53 -25.3 21.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.174 173.056 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 64.2 tp -60.83 -47.3 86.98 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.246 171.948 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 19.2 m -75.16 -25.0 17.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.143 179.354 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 66.0 tt0 -63.07 -40.07 96.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.301 178.435 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -73.08 -27.07 61.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.161 179.014 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 80.4 mmt-85 -95.58 -13.81 24.09 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.137 -171.78 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 89.03 22.22 39.32 Favored Glycine 0 CA--C 1.523 0.584 0 N-CA-C 111.166 -0.773 . . . . 0.0 111.166 177.836 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -95.76 -162.9 33.78 Favored Glycine 0 CA--C 1.523 0.589 0 N-CA-C 111.202 -0.759 . . . . 0.0 111.202 -179.569 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 64' ' ' GLN . . . . . 0.473 ' H ' ' HB ' ' A' ' 85' ' ' VAL . 10.3 mm-40 -129.97 159.95 35.12 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.772 0.32 . . . . 0.0 111.276 -177.119 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 7.0 tmm_? -119.38 120.66 37.53 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.251 175.697 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 -126.24 155.74 41.39 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.26 -177.653 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 88.6 p -87.88 159.39 18.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.193 -179.66 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 65.5 mm-40 -140.03 90.01 2.35 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.195 174.185 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -77.24 80.63 3.75 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.182 -178.618 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 50.0 mm -65.68 123.34 84.42 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.223 -176.985 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 80.0 Cg_exo -48.8 120.87 5.8 Favored 'Trans proline' 0 N--CA 1.458 -0.612 0 C-N-CA 121.77 1.647 . . . . 0.0 111.188 178.936 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 96.6 mt -76.8 -37.08 27.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.24 -176.169 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 99.7 m-20 -66.25 -23.0 66.34 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.175 -173.314 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 99.7 mm-40 -82.27 -50.17 9.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.204 -173.451 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 7.9 m-30 -99.98 -40.02 7.86 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.199 -177.494 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 101.52 -0.13 53.18 Favored Glycine 0 CA--C 1.523 0.558 0 N-CA-C 111.154 -0.778 . . . . 0.0 111.154 -174.235 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 29.0 p -88.26 -179.55 6.16 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.736 0.303 . . . . 0.0 111.212 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -80.15 163.41 47.09 Favored Glycine 0 CA--C 1.525 0.66 0 N-CA-C 111.182 -0.767 . . . . 0.0 111.182 -177.707 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 51.2 p-10 -108.49 30.34 6.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.853 0.358 . . . . 0.0 111.236 179.062 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 60.1 p -103.46 19.3 19.99 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.23 -173.801 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -65.35 145.83 55.68 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.194 -179.044 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -132.38 119.76 21.12 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.184 -172.081 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 62.2 tt0 -87.88 137.95 31.88 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.125 -177.653 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 84.8 m-85 -128.89 118.83 23.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.252 178.319 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.473 ' HB ' ' H ' ' A' ' 64' ' ' GLN . 84.7 t -88.44 117.7 32.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.205 -177.943 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 96.4 mt -124.88 168.67 12.94 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.286 179.095 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 82.1 mmm 61.42 30.45 18.93 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.125 175.377 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 96.3 m-20 64.95 33.25 10.0 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.228 176.862 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 97.7 -3.98 61.26 Favored Glycine 0 CA--C 1.523 0.539 0 N-CA-C 111.269 -0.732 . . . . 0.0 111.269 175.339 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -79.99 -23.92 41.23 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.811 0.338 . . . . 0.0 111.203 -178.404 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 60.0 tp -121.52 126.67 49.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.202 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -109.67 102.43 11.25 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.222 175.829 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 59.9 t -101.3 108.65 23.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.162 -178.477 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 73.8 mt -115.33 123.77 71.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.169 -178.174 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -86.9 132.13 10.98 Favored Glycine 0 CA--C 1.523 0.564 0 N-CA-C 111.202 -0.759 . . . . 0.0 111.202 171.108 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 96' ' ' PHE . . . . . 0.49 ' CD1' HG23 ' A' ' 43' ' ' ILE . 59.9 m-85 -114.6 151.66 33.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.79 0.329 . . . . 0.0 111.228 -174.175 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 53.1 t0 -102.04 69.72 1.18 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.178 -179.605 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 88.1 m-85 -103.66 157.45 17.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.201 172.597 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 52.4 p -78.53 178.3 7.88 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.194 172.001 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 74.3 p -74.55 -10.1 59.22 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.154 178.205 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -105.49 -7.01 18.94 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.181 179.745 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 66.6 mtt -103.11 6.55 38.59 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.167 -179.473 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 95.4 mt-30 -60.12 -32.95 71.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.18 178.003 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 73.3 m -57.79 -32.96 68.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.256 -178.169 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 94.1 mt -54.42 -52.87 35.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.249 178.445 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 96.9 mt -67.66 -43.9 86.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.206 179.771 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 88.4 mtm-85 -57.66 -37.16 72.91 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.11 -173.963 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 95.1 m-20 -62.12 -27.49 68.97 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.159 -178.889 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 109' ' ' TYR . . . . . . . . . . . . . 56.1 m-85 -95.28 -26.93 15.73 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.229 -178.146 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 65.3 p -67.88 162.54 23.94 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.256 -178.726 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 18.6 t70 -111.79 -9.94 14.06 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.232 178.892 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 63.0 tp -153.35 140.04 18.93 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.216 -179.79 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 91.4 t -112.33 121.65 65.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.224 -177.06 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 114' ' ' ILE . . . . . 0.403 HD12 HD11 ' A' ' 8' ' ' LEU . 62.1 mt -120.19 111.19 31.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.16 171.45 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 70.6 m -123.33 166.91 14.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.201 178.087 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 89.5 m-70 -110.49 84.58 1.95 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.127 178.571 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . 55.34 53.4 9.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.272 -173.456 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -83.84 -176.97 51.45 Favored Glycine 0 CA--C 1.523 0.541 0 N-CA-C 111.218 -0.753 . . . . 0.0 111.218 -179.763 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 38.4 p -125.05 -69.93 0.77 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.817 0.341 . . . . 0.0 111.139 -179.058 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -62.63 -30.69 77.48 Favored Glycine 0 CA--C 1.524 0.644 0 N-CA-C 111.185 -0.766 . . . . 0.0 111.185 -177.008 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 86.6 p -68.25 -25.86 65.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.857 0.36 . . . . 0.0 111.191 -179.068 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 122' ' ' ILE . . . . . 0.419 HG12 HD21 ' A' ' 132' ' ' LEU . 96.7 mt -62.06 -45.53 98.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.17 174.23 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 59.8 tp -66.06 -49.09 68.84 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.21 -177.484 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 72.5 m-20 -65.85 -35.87 81.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.272 -172.114 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 21.7 t -64.02 -51.98 61.64 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.167 178.132 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 93.9 mt -65.95 -26.89 67.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.179 173.899 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 69.1 ttp85 -69.07 -39.81 78.86 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.234 177.144 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 128' ' ' LEU . . . . . 0.414 ' O ' ' HB2' ' A' ' 129' ' ' ASN . 92.1 mt -87.75 -1.96 58.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.203 -176.474 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 129' ' ' ASN . . . . . 0.414 ' HB2' ' O ' ' A' ' 128' ' ' LEU . 89.9 m-20 67.16 35.05 4.68 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.235 -178.217 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 74.6 mmtt -114.73 148.69 40.94 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.221 179.482 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 57.5 Cg_exo -55.04 135.2 67.72 Favored 'Trans proline' 0 N--CA 1.456 -0.688 0 C-N-CA 121.703 1.602 . . . . 0.0 111.204 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 132' ' ' LEU . . . . . 0.419 HD21 HG12 ' A' ' 122' ' ' ILE . 61.1 tp -108.08 119.65 40.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.173 178.371 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 133' ' ' ILE . . . . . 0.401 ' HB ' HG12 ' A' ' 114' ' ' ILE . 87.5 mt -105.53 122.22 58.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.218 174.541 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 97.6 t -123.19 122.67 65.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.219 -178.642 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 135' ' ' CYS . . . . . . . . . . . . . 46.7 t -99.46 126.78 45.45 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.179 176.606 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 89.0 t -69.31 110.05 2.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.19 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 44.2 p30 . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.201 -177.848 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.774 0.321 . . . . 0.0 111.159 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 92.6 m-20 -65.04 -32.21 73.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.19 179.754 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 151' ' ' LYS . . . . . 0.402 ' HD3' ' HA ' ' A' ' 151' ' ' LYS . 67.5 mmtt -79.2 -31.09 43.68 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.219 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 152' ' ' PHE . . . . . . . . . . . . . 15.3 m-30 -61.43 -40.49 94.63 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.159 170.565 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 153' ' ' VAL . . . . . . . . . . . . . 67.6 t -68.4 -45.01 83.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.248 176.26 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 88.1 tt0 -58.47 -42.62 87.87 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.206 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 155' ' ' LEU . . . . . . . . . . . . . 50.6 tp -70.75 -53.41 15.64 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.219 178.95 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . 90.03 6.92 68.72 Favored Glycine 0 CA--C 1.524 0.604 0 N-CA-C 111.18 -0.768 . . . . 0.0 111.18 172.539 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 157' ' ' TYR . . . . . . . . . . . . . 92.9 m-85 -113.84 0.75 14.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.801 0.334 . . . . 0.0 111.194 178.094 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 158' ' ' VAL . . . . . . . . . . . . . 40.7 t -129.61 134.32 63.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.218 -178.464 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 159' ' ' TRP . . . . . . . . . . . . . 85.8 m95 -98.59 140.42 32.84 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.236 -178.164 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 160' ' ' SER . . . . . . . . . . . . . 42.6 t -105.89 115.92 31.06 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.193 179.581 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 161' ' ' CYS . . . . . . . . . . . . . 74.8 m -114.76 152.72 31.6 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.207 -178.132 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -83.93 156.28 64.16 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.23 173.43 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 163' ' ' PRO . . . . . . . . . . . . . 90.6 Cg_endo -77.16 64.18 7.81 Favored 'Trans proline' 0 N--CA 1.458 -0.576 0 C-N-CA 121.697 1.598 . . . . 0.0 111.233 -179.636 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 164' ' ' THR . . . . . . . . . . . . . 15.9 p -135.52 177.86 7.49 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.197 175.695 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 165' ' ' GLU . . . . . . . . . . . . . 25.2 pt-20 -76.71 -4.74 44.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.187 176.402 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 166' ' ' THR . . . . . . . . . . . . . 82.4 p -112.9 -26.69 8.41 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.162 -175.474 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 167' ' ' GLY . . . . . . . . . . . . . . . -63.9 -40.26 98.15 Favored Glycine 0 CA--C 1.523 0.568 0 N-CA-C 111.18 -0.768 . . . . 0.0 111.18 175.917 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 168' ' ' LEU . . . . . . . . . . . . . 96.0 mt -65.76 -35.53 80.97 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.793 0.33 . . . . 0.0 111.217 177.844 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 97.1 mt -67.78 -42.14 85.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.196 177.678 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 170' ' ' ALA . . . . . . . . . . . . . . . -60.84 -45.73 93.36 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.23 179.207 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 171' ' ' GLY . . . . . . . . . . . . . . . -67.36 -41.76 90.76 Favored Glycine 0 CA--C 1.524 0.606 0 N-CA-C 111.157 -0.777 . . . . 0.0 111.157 177.96 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 63.0 tp -55.34 -46.3 76.4 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.805 0.336 . . . . 0.0 111.222 177.583 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 173' ' ' ARG . . . . . . . . . . . . . 61.7 ttt85 -68.34 -39.83 81.77 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.202 177.123 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -60.56 -36.94 79.71 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.245 -175.224 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 54.7 p -63.05 -24.42 67.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.177 179.32 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 176' ' ' GLN . . . . . . . . . . . . . 88.9 mm-40 -100.56 2.01 41.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.192 -179.382 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 177' ' ' THR . . . . . . . . . . . . . 96.8 m -95.95 -51.81 4.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.166 -177.69 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 178' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -105.59 111.53 24.26 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.188 -177.643 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 179' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -65.54 129.87 41.28 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.212 174.396 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 180' ' ' LEU . . . . . . . . . . . . . 89.7 mt . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.214 -177.564 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 93.9 mt-10 . . . . . 0 C--O 1.232 0.15 0 CA-C-O 120.781 0.324 . . . . 0.0 111.233 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -80.85 150.02 29.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.14 -178.402 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 7' ' ' ALA . . . . . 0.515 ' HB3' ' HA ' ' A' ' 110' ' ' SER . . . -122.84 144.29 49.3 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.237 -176.408 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.441 HD23 ' HB2' ' A' ' 112' ' ' LEU . 92.6 mt -111.37 146.45 37.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.222 -178.634 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 9' ' ' PHE . . . . . 0.445 ' C ' ' CD1' ' A' ' 9' ' ' PHE . 1.0 OUTLIER -120.01 93.0 3.91 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.19 177.798 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 98.4 t -81.43 121.88 35.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.235 -176.44 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 75.5 m -125.06 116.07 21.52 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.195 169.438 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.444 ' HA ' ' HB2' ' A' ' 116' ' ' HIS . 79.3 m -80.28 151.01 29.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.216 -176.601 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -94.96 -164.92 35.39 Favored Glycine 0 CA--C 1.523 0.587 0 N-CA-C 111.209 -0.757 . . . . 0.0 111.209 -179.388 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -101.47 -30.19 11.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.757 0.313 . . . . 0.0 111.209 -174.378 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 95.7 m -60.16 -50.77 72.37 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.193 -173.755 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 96.6 t -92.82 134.82 26.96 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.16 178.813 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 89.7 Cg_exo -46.81 133.31 17.46 Favored 'Trans proline' 0 N--CA 1.458 -0.581 0 C-N-CA 121.7 1.6 . . . . 0.0 111.183 179.378 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' PHE . . . . . 0.562 ' HB3' ' HD3' ' A' ' 19' ' ' PRO . 89.7 t80 -58.14 -44.72 99.52 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.132 -172.289 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 19' ' ' PRO . . . . . 0.562 ' HD3' ' HB3' ' A' ' 18' ' ' PHE . 76.7 Cg_exo -55.22 -37.31 94.42 Favored 'Trans proline' 0 N--CA 1.458 -0.612 0 C-N-CA 121.753 1.635 . . . . 0.0 111.226 -179.864 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -73.92 -40.55 63.04 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.202 -175.185 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 89.4 mt -64.95 -35.72 82.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.231 178.636 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 70.0 t -72.54 -40.98 63.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.206 177.092 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 48.4 t -59.86 -41.06 90.64 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.169 -178.419 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 86.8 m -62.19 -30.74 71.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.175 178.613 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 73.7 t -82.89 -30.98 8.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.17 -179.233 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 96.7 mt -87.76 2.89 50.06 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.2 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 9.7 t -56.04 140.02 44.89 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.184 175.36 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 97.0 m-20 -64.8 -39.22 93.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.18 179.412 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -72.5 -37.93 68.26 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.151 179.068 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 69.9 t80 -56.12 -48.7 75.69 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.231 173.47 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 87.4 m -67.49 -38.88 85.03 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.197 179.617 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 66.6 tt0 -55.6 -41.26 73.17 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.197 178.51 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 71.0 mm-40 -65.03 -43.11 93.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.174 179.102 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.401 HD21 HD13 ' A' ' 172' ' ' LEU . 81.7 mt -59.36 -35.72 74.4 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.23 -178.853 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 91.2 mt -59.57 -40.05 81.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.167 179.255 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 90.2 mt-30 -75.37 -34.43 61.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.215 179.236 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 13.7 m-30 -65.07 -41.16 95.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.154 -177.181 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 121.58 21.16 3.05 Favored Glycine 0 CA--C 1.524 0.639 0 N-CA-C 111.221 -0.752 . . . . 0.0 111.221 -177.597 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 92.3 m-85 -99.81 133.33 44.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.805 0.336 . . . . 0.0 111.204 176.641 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 87.5 t -121.14 -35.53 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.185 -173.65 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 81.9 mtt85 -110.22 109.95 20.61 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.213 -178.342 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 65.3 tp -110.63 101.49 10.14 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.156 -177.307 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.506 HG12 ' HB ' ' A' ' 94' ' ' ILE . 96.0 mt -101.81 134.49 42.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.14 -174.797 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 78.4 mt -121.19 130.57 74.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.223 177.851 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 66.2 tt0 -75.18 127.72 33.85 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.216 174.032 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 46' ' ' PHE . . . . . 0.471 ' CB ' ' HA3' ' A' ' 47' ' ' GLY . 72.6 m-85 -119.76 158.33 26.75 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.234 177.715 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 47' ' ' GLY . . . . . 0.471 ' HA3' ' CB ' ' A' ' 46' ' ' PHE . . . 123.12 18.4 3.13 Favored Glycine 0 CA--C 1.524 0.627 0 N-CA-C 111.247 -0.741 . . . . 0.0 111.247 5.707 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 96.9 mtt180 65.03 56.86 1.01 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.823 0.344 . . . . 0.0 111.192 173.952 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 76.4 m-20 52.91 44.95 29.73 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.253 174.734 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 28.0 t80 -66.83 -18.41 65.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.173 -179.209 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 31.7 m -49.7 -35.41 21.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.192 175.503 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 88.8 p -69.77 -18.29 63.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.178 -177.111 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 73.6 mm-40 -80.94 -19.9 43.19 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.252 -178.799 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 72.2 m-85 -73.73 -15.62 61.21 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.183 177.54 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 75.2 mm-40 -63.26 -18.42 63.54 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.21 173.482 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 98.4 m-70 -108.92 -34.94 6.49 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.149 178.075 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 60.7 tp -73.05 -57.72 3.83 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.211 -178.761 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 71.8 t -65.08 -38.81 83.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.141 -178.651 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 68.7 tp60 -65.1 -40.7 94.95 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.196 179.332 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 89.1 tt0 -66.67 -40.16 88.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.214 176.476 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -74.49 -22.24 59.17 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.267 -179.077 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 85.68 31.88 20.14 Favored Glycine 0 CA--C 1.524 0.616 0 N-CA-C 111.233 -0.747 . . . . 0.0 111.233 174.571 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -95.01 -166.28 35.7 Favored Glycine 0 CA--C 1.523 0.556 0 N-CA-C 111.163 -0.775 . . . . 0.0 111.163 -179.758 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 95.8 mm-40 -122.53 154.61 37.65 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.805 0.336 . . . . 0.0 111.222 176.736 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 33.5 ptt-85 -155.54 133.97 11.72 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.215 -173.952 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -150.93 138.81 19.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.188 -176.894 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 87.2 p -72.76 164.02 27.2 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.215 -172.277 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 64.3 tt0 -130.63 129.52 42.79 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.121 179.142 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -95.16 75.6 3.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.238 -176.131 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 95.1 mt -75.01 129.58 82.74 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.182 174.719 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 87.9 Cg_exo -55.03 129.18 33.94 Favored 'Trans proline' 0 N--CA 1.458 -0.591 0 C-N-CA 121.754 1.636 . . . . 0.0 111.128 -174.873 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 96.4 mt -71.21 -38.06 68.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.238 174.279 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 99.3 m-20 -64.42 -37.38 87.31 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.229 -178.608 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 64.6 tt0 -85.68 -43.78 13.13 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.141 -174.697 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 97.5 m-85 -114.98 -44.33 3.04 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.222 -174.852 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 96.19 16.4 38.08 Favored Glycine 0 CA--C 1.522 0.504 0 N-CA-C 111.233 -0.747 . . . . 0.0 111.233 -177.701 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 77' ' ' CYS . . . . . 0.426 ' SG ' ' HB2' ' A' ' 81' ' ' ALA . 45.3 t -65.35 139.96 58.62 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.751 0.31 . . . . 0.0 111.221 -179.727 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -82.88 -164.73 36.1 Favored Glycine 0 CA--C 1.524 0.601 0 N-CA-C 111.156 -0.778 . . . . 0.0 111.156 -179.318 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 58.5 p-10 -95.68 11.94 31.57 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.792 0.329 . . . . 0.0 111.235 -174.352 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 81.2 p -88.48 -15.09 36.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.191 178.596 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.426 ' HB2' ' SG ' ' A' ' 77' ' ' CYS . . . -55.54 111.62 0.94 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.199 178.1 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 42.8 ttt180 -148.53 140.25 23.68 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.157 178.681 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 83' ' ' GLN . . . . . 0.421 ' HG2' HG12 ' A' ' 94' ' ' ILE . 78.5 mt-30 -96.93 144.35 26.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.174 177.946 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 84' ' ' TYR . . . . . 0.426 ' N ' ' O ' ' A' ' 93' ' ' VAL . 60.5 m-85 -129.72 92.07 3.26 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.14 -173.674 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 91.8 t -74.36 113.08 12.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.191 -175.007 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 91.0 mt -128.69 172.82 10.87 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.174 -172.946 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 85.2 mmm 70.01 33.13 2.84 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.218 177.479 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 96.5 m-20 64.89 35.06 8.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.18 -178.883 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 75.08 40.04 35.84 Favored Glycine 0 CA--C 1.524 0.61 0 N-CA-C 111.183 -0.767 . . . . 0.0 111.183 179.125 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -119.03 -20.0 8.25 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.826 0.346 . . . . 0.0 111.212 -178.693 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 50.0 tp -141.03 129.99 23.17 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.173 174.667 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -100.53 102.89 14.18 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.245 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 93' ' ' VAL . . . . . 0.426 ' O ' ' N ' ' A' ' 84' ' ' TYR . 89.2 t -89.64 124.99 42.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.225 177.958 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 94' ' ' ILE . . . . . 0.506 ' HB ' HG12 ' A' ' 43' ' ' ILE . 64.8 mt -122.47 134.92 64.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.203 -172.381 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -114.98 134.13 11.44 Favored Glycine 0 CA--C 1.524 0.625 0 N-CA-C 111.213 -0.755 . . . . 0.0 111.213 -173.308 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 70.6 m-85 -130.03 143.37 50.76 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.837 0.351 . . . . 0.0 111.197 166.904 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 60.0 t0 -94.96 82.79 3.86 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.216 169.464 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 5.6 m-30 -116.01 140.02 49.68 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.209 -166.361 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 59.6 p -76.31 -179.02 4.84 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.17 169.736 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 77.1 p -71.01 -14.3 62.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.269 178.136 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -92.86 -8.85 42.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.195 177.758 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 64.2 mtt -105.01 1.59 28.79 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.176 179.527 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 95.0 mt-30 -62.32 -31.44 72.06 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.161 179.56 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 104' ' ' SER . . . . . 0.523 ' HA ' ' HG2' ' A' ' 107' ' ' ARG . 39.2 m -64.94 -24.84 67.64 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.209 -178.169 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 96.4 mt -63.08 -43.75 99.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.176 176.674 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 86.3 mt -74.54 -42.05 48.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.207 -175.073 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 107' ' ' ARG . . . . . 0.523 ' HG2' ' HA ' ' A' ' 104' ' ' SER . 24.9 ptt180 -70.33 -10.08 57.99 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.243 -175.67 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 97.0 m-20 -73.15 -17.61 61.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.137 169.453 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 109' ' ' TYR . . . . . . . . . . . . . 72.2 m-85 -112.3 -26.68 8.64 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.259 177.534 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 110' ' ' SER . . . . . 0.515 ' HA ' ' HB3' ' A' ' 7' ' ' ALA . 75.2 m -90.54 157.5 17.5 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.201 -173.428 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 61.0 m-20 -105.01 -56.06 2.23 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.205 177.898 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 112' ' ' LEU . . . . . 0.441 ' HB2' HD23 ' A' ' 8' ' ' LEU . 8.8 mp -105.82 109.44 21.39 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.188 -174.544 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 113' ' ' VAL . . . . . 0.437 ' HA ' ' HB3' ' A' ' 9' ' ' PHE . 9.9 p -71.47 141.74 16.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.144 173.856 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 89.8 mt -120.19 109.69 26.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.198 176.683 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 37.6 t -101.15 109.58 21.48 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.202 -178.11 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 116' ' ' HIS . . . . . 0.444 ' HB2' ' HA ' ' A' ' 12' ' ' CYS . 83.7 m-70 -82.39 143.66 31.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.171 -178.915 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . 55.05 54.5 8.84 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.179 171.986 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 121.53 -171.03 14.91 Favored Glycine 0 CA--C 1.523 0.564 0 N-CA-C 111.244 -0.742 . . . . 0.0 111.244 174.12 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 41.3 p -107.14 36.51 2.66 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.791 0.329 . . . . 0.0 111.14 -172.382 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -58.75 -46.95 92.7 Favored Glycine 0 CA--C 1.523 0.59 0 N-CA-C 111.213 -0.755 . . . . 0.0 111.213 -174.859 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 9.8 m -105.01 24.95 11.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.817 0.342 . . . . 0.0 111.218 -175.225 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 122' ' ' ILE . . . . . 0.424 HD11 HG21 ' A' ' 158' ' ' VAL . 16.1 tt -65.19 -20.01 26.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.155 -179.281 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 92.0 mt -96.64 -8.97 30.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.221 -172.612 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 124' ' ' ASP . . . . . 0.4 ' HB2' HG21 ' A' ' 113' ' ' VAL . 89.1 m-20 -68.34 -46.58 69.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.199 -171.773 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 63.1 m -98.74 3.11 47.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.097 -179.541 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 66.3 tp -62.67 -52.67 62.41 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.208 176.941 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -66.75 -24.66 66.24 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.213 178.921 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 96.5 mt -77.06 -11.67 59.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.238 179.443 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 77.5 m-20 66.6 34.91 5.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.237 -179.82 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 40.9 mmtm -113.06 155.76 43.82 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.164 -178.948 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_exo -54.94 138.06 77.19 Favored 'Trans proline' 0 N--CA 1.458 -0.613 0 C-N-CA 121.71 1.606 . . . . 0.0 111.233 178.578 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 132' ' ' LEU . . . . . 0.58 ' HB2' HG22 ' A' ' 158' ' ' VAL . 78.9 mt -102.82 130.69 49.9 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.163 -177.822 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 42.4 mm -108.94 118.53 56.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.219 176.392 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 76.9 t -124.9 124.95 68.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.194 179.82 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 135' ' ' CYS . . . . . 0.431 ' HB3' ' HA ' ' A' ' 116' ' ' HIS . 47.4 t -104.05 130.26 51.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.233 175.651 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 32.8 m -85.03 151.32 3.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.21 177.251 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 48.1 p30 . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.24 -179.2 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.778 0.323 . . . . 0.0 111.177 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 92.5 m-20 -62.38 -34.2 76.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.258 178.677 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 151' ' ' LYS . . . . . 0.428 ' HD3' ' HA ' ' A' ' 151' ' ' LYS . 61.2 mmtt -80.1 -30.08 39.11 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.194 -178.895 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 152' ' ' PHE . . . . . . . . . . . . . 14.5 m-30 -59.93 -38.65 82.97 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.228 171.253 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 153' ' ' VAL . . . . . . . . . . . . . 79.1 t -68.46 -40.05 81.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.222 176.762 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -76.37 -19.63 57.98 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.145 176.642 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 155' ' ' LEU . . . . . . . . . . . . . 62.8 tp -80.22 -54.47 5.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.19 -177.107 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 156' ' ' GLY . . . . . 0.491 ' HA2' ' HB2' ' A' ' 180' ' ' LEU . . . 85.18 8.0 82.38 Favored Glycine 0 CA--C 1.523 0.544 0 N-CA-C 111.154 -0.778 . . . . 0.0 111.154 174.454 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 157' ' ' TYR . . . . . . . . . . . . . 98.9 m-85 -116.22 -25.0 7.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.794 0.33 . . . . 0.0 111.229 177.615 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 158' ' ' VAL . . . . . 0.58 HG22 ' HB2' ' A' ' 132' ' ' LEU . 57.6 t -119.95 140.03 45.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.217 -176.356 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 159' ' ' TRP . . . . . . . . . . . . . 16.9 m-90 -114.93 140.98 48.56 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.232 175.468 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 160' ' ' SER . . . . . . . . . . . . . 35.2 t -87.9 138.14 31.72 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.153 -172.444 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 161' ' ' CYS . . . . . 0.416 ' SG ' ' HA3' ' A' ' 171' ' ' GLY . 73.4 m -122.07 151.7 40.61 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.214 169.777 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -88.64 155.68 50.64 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.218 177.17 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 163' ' ' PRO . . . . . . . . . . . . . 95.2 Cg_endo -77.0 65.04 7.81 Favored 'Trans proline' 0 N--CA 1.458 -0.573 0 C-N-CA 121.667 1.578 . . . . 0.0 111.169 -179.743 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 164' ' ' THR . . . . . . . . . . . . . 13.0 t -159.93 -179.13 7.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.203 176.647 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 165' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -62.92 -45.97 90.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.195 -173.17 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 166' ' ' THR . . . . . . . . . . . . . 71.6 p -89.8 -10.11 46.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.199 -174.165 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 167' ' ' GLY . . . . . . . . . . . . . . . -66.67 -43.34 92.21 Favored Glycine 0 CA--C 1.524 0.598 0 N-CA-C 111.193 -0.763 . . . . 0.0 111.193 -178.549 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 168' ' ' LEU . . . . . . . . . . . . . 42.9 tp -66.05 -50.48 64.01 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.858 0.361 . . . . 0.0 111.128 179.819 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 169' ' ' ILE . . . . . 0.408 HD12 ' HA ' ' A' ' 169' ' ' ILE . 8.6 tp -67.37 -23.69 30.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.212 -175.854 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 170' ' ' ALA . . . . . . . . . . . . . . . -69.74 -43.03 73.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.25 174.176 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 171' ' ' GLY . . . . . 0.416 ' HA3' ' SG ' ' A' ' 161' ' ' CYS . . . -71.64 -30.61 66.14 Favored Glycine 0 CA--C 1.522 0.513 0 N-CA-C 111.241 -0.743 . . . . 0.0 111.241 177.148 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 172' ' ' LEU . . . . . 0.401 HD13 HD21 ' A' ' 34' ' ' LEU . 81.6 mt -69.53 -34.52 74.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.753 0.311 . . . . 0.0 111.17 174.571 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 173' ' ' ARG . . . . . . . . . . . . . 37.1 ttm180 -66.71 -39.99 88.26 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.25 168.444 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -65.02 -33.57 76.37 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.234 -176.687 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 47.4 p -64.89 -18.28 65.05 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.163 178.195 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 176' ' ' GLN . . . . . . . . . . . . . 93.5 mm-40 -106.63 -26.96 11.12 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.211 -176.36 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 177' ' ' THR . . . . . . . . . . . . . 79.3 p -115.04 -42.87 3.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.189 -171.254 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 178' ' ' GLU . . . . . . . . . . . . . 18.5 tp10 -84.95 107.86 17.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.259 -172.394 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 179' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -80.21 119.35 22.85 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.25 175.036 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 180' ' ' LEU . . . . . 0.491 ' HB2' ' HA2' ' A' ' 156' ' ' GLY . 74.0 mt . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.225 178.396 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.536 0 N-CA-C 111.233 -0.747 . . . . 0.0 111.233 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 96.7 mt -77.11 -49.99 21.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 120.775 0.321 . . . . 0.0 111.188 178.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 96.7 mt -76.95 -48.97 24.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.192 -176.8 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 -116.14 145.05 43.37 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.252 -177.873 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 60.2 mm-40 -86.49 139.99 30.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.229 178.345 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -83.36 151.99 25.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.22 179.162 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -154.72 144.32 21.45 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.186 -176.579 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 63.2 tp -111.2 122.56 48.19 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.228 176.118 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 70.6 t80 -102.45 129.61 48.99 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.234 -174.182 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 97.2 t -115.32 128.88 72.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.274 177.932 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 9.1 t -136.66 147.38 46.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.193 174.215 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 75.7 m -121.99 151.98 40.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.185 -176.264 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -91.77 -166.89 40.13 Favored Glycine 0 CA--C 1.523 0.57 0 N-CA-C 111.145 -0.782 . . . . 0.0 111.145 174.793 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -98.46 5.89 47.67 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.806 0.336 . . . . 0.0 111.267 178.595 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 90.3 m -60.22 -45.96 91.4 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.206 -176.148 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 27.7 m -132.73 162.17 59.0 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.26 178.756 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_exo -55.09 137.59 76.89 Favored 'Trans proline' 0 N--CA 1.458 -0.575 0 C-N-CA 121.699 1.6 . . . . 0.0 111.163 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' PHE . . . . . 0.537 ' N ' ' CD ' ' A' ' 19' ' ' PRO . 69.6 t80 -66.53 -42.99 50.09 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.212 -178.6 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.537 ' CD ' ' N ' ' A' ' 18' ' ' PHE . 79.8 Cg_exo -51.61 -35.7 57.83 Favored 'Trans proline' 0 N--CA 1.458 -0.571 0 C-N-CA 121.644 1.563 . . . . 0.0 111.173 -178.918 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -73.18 -24.02 60.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.127 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 87.0 mt -87.18 -9.06 56.16 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.236 -179.091 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 75.4 t -73.07 -40.9 59.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.19 178.06 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 84.1 p -71.14 -19.73 62.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.217 -179.867 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 87.0 m -78.51 -16.65 57.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.248 -179.628 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 26.8 m -120.76 3.96 6.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.243 -178.66 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 91.1 mt -126.26 31.71 5.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.188 171.676 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 51.5 p -79.64 164.98 23.35 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.23 178.196 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 89.0 m-20 -59.55 -46.28 89.34 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.244 -178.508 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -73.91 -40.86 62.84 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.181 -178.56 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 57.4 t80 -55.08 -46.15 75.43 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.18 -177.048 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 89.5 m -75.9 -42.43 49.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.133 -178.336 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 65.2 tt0 -65.99 -33.67 76.35 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.242 -173.778 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 73.4 mm-40 -80.03 -39.72 29.27 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.229 -174.706 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.469 HD21 HD13 ' A' ' 172' ' ' LEU . 40.1 mt -65.7 -36.32 83.3 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.204 -172.901 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 49.4 pt -69.05 -11.63 15.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.206 179.257 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 61.0 mt-30 -101.33 -12.42 18.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.244 174.217 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 19.2 m-30 -90.26 -27.59 19.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.219 178.463 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 113.55 22.82 5.31 Favored Glycine 0 CA--C 1.523 0.531 0 N-CA-C 111.199 -0.761 . . . . 0.0 111.199 -177.568 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 88.4 m-85 -118.3 75.09 0.99 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.783 0.325 . . . . 0.0 111.183 177.178 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 31.1 m -94.09 -6.43 10.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.199 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 92.0 mtt-85 -109.48 93.52 4.55 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.2 175.653 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 60.1 tp -104.08 116.24 31.87 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.252 -175.63 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 5.3 mp -114.18 119.54 61.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.198 -179.276 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 65.4 mt -115.54 124.79 72.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.162 -175.469 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 3.5 pp0? -102.42 144.82 30.4 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.232 -169.209 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 31.9 p90 -151.79 160.09 43.69 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.238 172.431 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -102.56 -27.92 6.56 Favored Glycine 0 CA--C 1.522 0.499 0 N-CA-C 111.27 -0.732 . . . . 0.0 111.27 -178.544 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 96.6 mtt-85 -111.8 146.68 37.2 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.778 0.323 . . . . 0.0 111.163 175.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 57.9 t-20 -59.36 109.33 0.85 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.195 -174.298 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 74.0 m-85 -124.81 27.65 6.73 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.161 172.0 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 92.9 p -66.38 -22.39 66.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.242 -172.137 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 93.3 p -71.99 -25.45 61.84 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.218 179.355 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 73.2 mm-40 -75.59 -26.85 58.24 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.202 178.665 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 98.3 m-85 -80.14 -45.46 18.12 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.23 176.154 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 88.2 tt0 -63.46 -36.69 84.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.219 178.184 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 83.9 t60 -56.58 -54.59 44.21 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.272 -178.86 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 84.2 mt -68.54 -25.4 64.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.217 -173.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 55.1 t -66.77 -42.45 89.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.245 171.136 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 88.2 mt-30 -70.35 -21.45 62.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.188 176.433 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 77.5 mm-40 -81.15 -2.42 48.41 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.202 176.634 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 90.6 mmt-85 -126.18 -3.11 6.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.228 175.138 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 74.62 27.03 66.03 Favored Glycine 0 CA--C 1.523 0.576 0 N-CA-C 111.226 -0.75 . . . . 0.0 111.226 174.897 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -86.32 -172.24 48.45 Favored Glycine 0 CA--C 1.523 0.555 0 N-CA-C 111.197 -0.761 . . . . 0.0 111.197 -178.452 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 97.1 mm-40 -115.03 171.89 7.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.757 0.313 . . . . 0.0 111.195 178.822 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -168.04 150.01 5.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.182 176.279 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 44.5 tt0 -151.0 130.46 12.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.181 -175.06 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 69.7 m -72.86 121.0 19.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.277 172.623 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 89.5 mt-30 -130.01 154.87 46.96 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.264 -168.348 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -80.08 70.31 6.65 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.174 175.726 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 46.1 mm -62.07 123.37 77.62 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.232 -176.705 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 58.4 Cg_exo -57.66 129.9 36.01 Favored 'Trans proline' 0 N--CA 1.458 -0.584 0 C-N-CA 121.704 1.603 . . . . 0.0 111.19 -177.941 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 93.9 mt -71.24 -36.49 62.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.226 171.379 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 99.0 m-20 -61.93 -37.08 83.36 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.173 178.865 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 50.9 tp60 -79.96 -65.3 1.02 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.246 -179.514 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 95.5 m-85 -97.73 -43.47 7.15 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.187 -173.613 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 112.97 -15.62 23.41 Favored Glycine 0 CA--C 1.522 0.482 0 N-CA-C 111.175 -0.77 . . . . 0.0 111.175 -176.351 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 71.6 m -71.66 159.91 33.58 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.845 0.355 . . . . 0.0 111.127 176.536 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -92.85 -166.96 38.9 Favored Glycine 0 CA--C 1.523 0.56 0 N-CA-C 111.239 -0.745 . . . . 0.0 111.239 -174.088 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 99.1 m-20 -84.66 -7.09 59.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.805 0.336 . . . . 0.0 111.213 -174.381 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 69.7 p -96.9 0.82 49.67 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.204 178.665 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -65.23 144.7 57.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.231 176.731 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 43.4 ttm180 -114.14 132.49 56.05 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.129 -179.054 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 49.7 tt0 -91.38 129.9 37.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.147 173.747 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' TYR . . . . . 0.433 ' HB2' ' HB ' ' A' ' 93' ' ' VAL . 76.8 m-85 -111.59 140.15 46.44 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.223 178.312 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 92.4 t -105.47 111.72 35.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.252 -174.416 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 92.8 mt -125.83 158.43 35.04 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.157 179.621 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 76.8 mmm 60.56 33.0 20.53 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.161 178.346 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 96.5 m-20 65.08 34.09 9.02 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.144 177.728 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 94.97 -4.08 67.71 Favored Glycine 0 CA--C 1.523 0.567 0 N-CA-C 111.252 -0.739 . . . . 0.0 111.252 175.013 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -74.73 -26.69 59.97 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.781 0.324 . . . . 0.0 111.15 -179.794 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 65.5 tp -117.31 120.78 39.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.176 175.608 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -108.08 117.43 34.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.213 175.855 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 93' ' ' VAL . . . . . 0.433 ' HB ' ' HB2' ' A' ' 84' ' ' TYR . 64.0 t -110.71 125.38 68.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.214 -174.872 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 88.1 mt -105.92 121.47 58.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.158 177.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -114.71 135.02 12.05 Favored Glycine 0 CA--C 1.523 0.573 0 N-CA-C 111.188 -0.765 . . . . 0.0 111.188 175.634 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 72.4 t80 -156.82 141.19 16.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.826 0.346 . . . . 0.0 111.143 -173.448 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 63.1 t0 -83.3 105.05 13.94 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.199 173.879 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 69.1 m-85 -83.32 145.0 29.32 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.161 -173.749 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 47.8 t -115.02 -65.0 1.24 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.17 -171.946 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 41.9 p -116.75 -105.2 0.4 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.228 -169.062 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -97.17 0.95 49.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.189 -173.468 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 76.5 mtm -62.97 -29.91 71.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.163 179.462 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 7.8 pt20 -73.17 -22.39 60.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.188 178.879 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 71.5 m -84.84 -29.84 24.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.227 176.82 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 96.8 mt -64.0 -48.59 85.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.128 175.226 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 8.8 tp -66.82 -30.02 48.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.178 -179.819 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 81.3 mtm-85 -63.62 -49.12 74.54 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.201 175.684 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 97.9 m-20 -64.77 -35.92 82.63 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.248 177.187 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 109' ' ' TYR . . . . . . . . . . . . . 88.6 t80 -67.78 -40.23 83.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.213 178.31 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 77.4 p -70.84 166.41 21.13 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.208 -175.045 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 45.7 m-20 -101.31 -34.47 9.61 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.229 178.189 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 64.5 tp -137.3 129.87 29.96 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.199 -172.19 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 99.4 t -104.09 129.53 56.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.187 -176.766 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 114' ' ' ILE . . . . . 0.432 HD11 HD21 ' A' ' 172' ' ' LEU . 96.4 mt -106.39 123.71 61.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.245 173.881 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 48.1 t -108.47 113.77 27.07 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.232 175.847 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 93.0 m-70 -83.73 89.88 7.22 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.193 172.494 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . 47.55 45.05 17.52 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.22 -177.673 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -88.2 175.05 44.31 Favored Glycine 0 CA--C 1.523 0.564 0 N-CA-C 111.252 -0.739 . . . . 0.0 111.252 -179.133 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 38.0 p -125.09 -70.38 0.75 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.832 0.349 . . . . 0.0 111.187 177.858 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -65.83 -27.81 73.08 Favored Glycine 0 CA--C 1.524 0.639 0 N-CA-C 111.153 -0.779 . . . . 0.0 111.153 177.722 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 84.5 p -65.18 -30.77 71.71 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.798 0.332 . . . . 0.0 111.174 178.644 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 122' ' ' ILE . . . . . . . . . . . . . 95.0 mt -69.13 -44.37 80.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.214 173.907 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 81.5 mt -61.46 -35.27 77.15 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.242 174.926 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 96.1 m-20 -65.95 -50.41 64.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.17 -175.912 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 21.1 t -62.71 -40.46 97.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.181 179.516 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 88.4 mt -73.42 -20.64 60.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.199 -179.851 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 80.8 ttt180 -85.81 -35.11 20.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.183 176.727 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 97.0 mt -89.05 2.92 53.32 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.238 -176.031 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 33.0 m120 65.84 37.32 5.63 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.228 177.426 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 71.7 mmtt -108.78 145.71 32.23 Favored Pre-proline 0 C--N 1.33 -0.257 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.209 176.383 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_endo -65.02 143.97 80.68 Favored 'Trans proline' 0 N--CA 1.459 -0.52 0 C-N-CA 121.693 1.596 . . . . 0.0 111.163 175.16 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 61.0 tp -131.49 124.05 29.34 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.185 -167.671 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 83.1 mt -106.6 121.04 58.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.191 166.867 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 81.0 t -108.81 118.54 56.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.209 -176.949 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 135' ' ' CYS . . . . . . . . . . . . . 52.8 t -93.41 122.15 35.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.181 174.088 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 27.1 m -84.66 172.83 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.276 -176.278 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 64.3 t30 -97.76 166.46 11.47 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.195 179.426 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 57.0 p-10 -86.93 0.11 55.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.168 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 89.7 p -85.06 -15.65 43.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.211 171.057 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 49.0 tp -76.25 132.93 40.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.24 177.377 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 141' ' ' MET . . . . . . . . . . . . . 59.8 ttm -56.26 135.43 53.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.193 179.371 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -53.57 -38.08 63.53 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.193 -177.584 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 99.6 m-20 -64.78 -37.0 86.12 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.27 176.94 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 144' ' ' HIS . . . . . . . . . . . . . 66.2 m170 -73.08 -30.28 63.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.21 179.569 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 145' ' ' GLN . . . . . . . . . . . . . 81.3 mt-30 -61.48 -50.8 71.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.139 175.811 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 146' ' ' GLN . . . . . . . . . . . . . 70.8 tp60 -69.97 -35.44 74.45 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.184 179.723 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 147' ' ' GLN . . . . . . . . . . . . . 72.0 tp60 -60.27 -45.22 94.07 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.162 179.008 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 148' ' ' ILE . . . . . . . . . . . . . 85.7 mt -65.54 -44.36 94.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.17 176.141 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -59.24 -41.61 89.13 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.241 -179.785 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 93.7 m-20 -59.51 -38.84 82.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.173 -176.512 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 151' ' ' LYS . . . . . . . . . . . . . 74.9 mmtt -84.72 -33.83 23.04 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.147 -173.263 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 152' ' ' PHE . . . . . . . . . . . . . 11.0 m-30 -71.01 -36.16 72.31 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.247 176.184 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 153' ' ' VAL . . . . . . . . . . . . . 54.0 t -68.41 -40.2 81.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.215 173.387 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -56.82 -41.01 77.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.155 171.026 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 155' ' ' LEU . . . . . . . . . . . . . 44.6 tp -59.65 -58.29 9.25 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.23 176.424 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . 96.0 5.26 59.73 Favored Glycine 0 CA--C 1.522 0.504 0 N-CA-C 111.194 -0.762 . . . . 0.0 111.194 175.952 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 157' ' ' TYR . . . . . . . . . . . . . 34.8 m-85 -122.63 -10.79 8.31 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.8 0.333 . . . . 0.0 111.23 -179.313 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 158' ' ' VAL . . . . . . . . . . . . . 77.9 t -129.82 140.0 50.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.215 173.168 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 159' ' ' TRP . . . . . . . . . . . . . 51.9 t-105 -121.77 128.43 51.73 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.242 179.7 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 160' ' ' SER . . . . . . . . . . . . . 33.6 t -94.61 139.13 31.61 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.222 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 161' ' ' CYS . . . . . . . . . . . . . 91.8 m -125.46 151.78 45.8 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.16 179.171 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -74.51 161.12 79.37 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.19 -178.431 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 163' ' ' PRO . . . . . . . . . . . . . 85.5 Cg_endo -79.5 64.2 8.82 Favored 'Trans proline' 0 N--CA 1.457 -0.653 0 C-N-CA 121.773 1.649 . . . . 0.0 111.219 -177.632 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 164' ' ' THR . . . . . . . . . . . . . 1.9 p -140.16 174.06 10.89 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.167 174.791 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 165' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -83.57 12.25 5.99 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.253 178.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 166' ' ' THR . . . . . . . . . . . . . 74.5 p -132.23 -25.48 1.98 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.223 -174.599 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 167' ' ' GLY . . . . . . . . . . . . . . . -64.93 -33.92 88.53 Favored Glycine 0 CA--C 1.524 0.611 0 N-CA-C 111.223 -0.751 . . . . 0.0 111.223 178.845 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 168' ' ' LEU . . . . . . . . . . . . . 55.5 tp -68.44 -52.04 37.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.77 0.319 . . . . 0.0 111.172 -179.013 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 10.0 tp -67.79 -24.2 30.44 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.187 -179.0 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 170' ' ' ALA . . . . . . . . . . . . . . . -65.34 -41.03 94.33 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.204 170.529 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 171' ' ' GLY . . . . . . . . . . . . . . . -71.7 -30.41 66.26 Favored Glycine 0 CA--C 1.523 0.536 0 N-CA-C 111.231 -0.747 . . . . 0.0 111.231 175.711 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 172' ' ' LEU . . . . . 0.469 HD13 HD21 ' A' ' 34' ' ' LEU . 58.6 mt -73.01 -25.49 60.99 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.813 0.339 . . . . 0.0 111.211 176.57 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 173' ' ' ARG . . . . . . . . . . . . . 42.6 ttm180 -72.09 -37.83 69.49 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.22 164.668 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -77.64 -14.13 59.72 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.21 -176.81 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 28.8 p -63.64 -22.89 67.14 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.215 178.087 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 176' ' ' GLN . . . . . . . . . . . . . 85.7 mt-30 -113.52 -42.78 3.41 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.251 177.297 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 177' ' ' THR . . . . . . . . . . . . . 92.9 m -64.56 -47.0 80.38 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.18 179.353 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 178' ' ' GLU . . . . . . . . . . . . . 68.6 mm-40 -100.18 165.17 11.63 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.16 178.734 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 179' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -66.8 107.16 2.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.219 -178.895 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 180' ' ' LEU . . . . . . . . . . . . . 56.5 tp -141.47 109.92 5.98 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.22 169.845 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 181' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -121.43 160.32 46.46 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.236 -175.458 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 182' ' ' PRO . . . . . . . . . . . . . 51.5 Cg_exo -55.78 135.61 70.41 Favored 'Trans proline' 0 N--CA 1.458 -0.576 0 C-N-CA 121.756 1.638 . . . . 0.0 111.165 176.526 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 183' ' ' PHE . . . . . 0.4 ' CE2' ' HB ' ' A' ' 185' ' ' VAL . 34.4 t80 -64.58 118.01 43.6 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.195 179.22 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 184' ' ' PRO . . . . . . . . . . . . . 71.3 Cg_endo -82.92 -31.63 0.69 Allowed 'Trans proline' 0 N--CA 1.458 -0.598 0 C-N-CA 121.707 1.605 . . . . 0.0 111.206 -169.236 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 185' ' ' VAL . . . . . 0.4 ' HB ' ' CE2' ' A' ' 183' ' ' PHE . 98.9 t -76.22 122.37 30.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.192 -172.054 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 186' ' ' SER . . . . . . . . . . . . . 69.6 m -104.71 9.74 34.96 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.211 -174.174 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 187' ' ' HIS . . . . . . . . . . . . . 97.4 m-70 -79.23 118.99 21.68 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.224 177.839 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 188' ' ' ASN . . . . . 0.475 ' HB2' ' HD3' ' A' ' 189' ' ' PRO . 99.6 m-20 -62.45 -49.4 83.77 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.18 -168.653 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 189' ' ' PRO . . . . . 0.475 ' HD3' ' HB2' ' A' ' 188' ' ' ASN . 74.9 Cg_endo -79.26 -13.52 13.73 Favored 'Trans proline' 0 N--CA 1.458 -0.579 0 C-N-CA 121.697 1.598 . . . . 0.0 111.206 -173.371 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 190' ' ' SER . . . . . . . . . . . . . 46.6 t -65.01 -59.89 3.65 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.207 -178.249 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 191' ' ' PHE . . . . . . . . . . . . . 35.6 p90 -79.14 -18.8 52.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.211 -177.153 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 192' ' ' GLU . . . . . . . . . . . . . 87.4 tt0 -56.42 -52.08 65.99 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.243 174.151 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 193' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -85.66 -38.72 18.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.257 -179.608 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 194' ' ' LEU . . . . . . . . . . . . . 61.8 tp -63.27 -57.84 9.11 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.18 -175.933 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 195' ' ' LEU . . . . . . . . . . . . . 92.4 mt -99.42 -45.91 5.67 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.181 -166.479 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 196' ' ' VAL . . . . . . . . . . . . . 78.3 t -77.86 -53.98 13.29 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.186 -172.721 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 197' ' ' GLU . . . . . . . . . . . . . 41.3 tt0 -70.02 -66.15 0.63 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.202 -178.33 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 198' ' ' THR . . . . . . . . . . . . . 77.1 m -60.2 -52.48 65.12 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.149 -170.312 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 199' ' ' ILE . . . . . . . . . . . . . 94.4 mt -89.64 -64.04 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.139 -168.34 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 200' ' ' TYR . . . . . . . . . . . . . 80.3 t80 -62.5 -54.77 35.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.22 -172.073 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 201' ' ' SER . . . . . . . . . . . . . 39.5 t . . . . . 0 C--O 1.2 -1.524 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.2 -179.485 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.559 0 N-CA-C 111.221 -0.752 . . . . 0.0 111.221 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 97.3 mt -68.15 -48.19 75.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.833 0.349 . . . . 0.0 111.25 -179.492 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 97.2 mt -70.0 -45.03 77.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.254 178.786 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 83.5 tt0 -144.98 120.35 10.27 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.175 179.518 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 95.3 mt-10 -84.92 126.66 33.68 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.248 177.019 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.437 ' HB2' ' HA ' ' A' ' 39' ' ' PHE . 75.0 mmtt -90.14 135.58 33.57 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.19 173.407 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -124.46 134.55 53.02 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.155 -168.449 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 82.0 mt -86.24 144.84 27.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.167 167.138 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 83.9 t80 -114.79 96.22 5.62 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.198 174.387 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 96.4 t -97.61 121.21 47.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.188 -178.064 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 97.2 m -109.3 121.62 45.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.199 170.461 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 80.1 m -103.08 127.62 50.27 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.231 -179.034 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -72.74 162.83 54.8 Favored Glycine 0 CA--C 1.523 0.584 0 N-CA-C 111.19 -0.764 . . . . 0.0 111.19 177.849 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -95.2 -2.84 48.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.789 0.328 . . . . 0.0 111.199 -178.207 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 90.2 m -57.86 -40.4 80.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.156 179.5 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.409 ' HB ' ' HD2' ' A' ' 17' ' ' PRO . 34.7 m -121.99 163.38 31.85 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.209 177.462 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.409 ' HD2' ' HB ' ' A' ' 16' ' ' VAL . 80.1 Cg_exo -52.58 139.19 57.57 Favored 'Trans proline' 0 N--CA 1.458 -0.584 0 C-N-CA 121.706 1.604 . . . . 0.0 111.2 -179.62 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' PHE . . . . . 0.591 ' N ' ' CD ' ' A' ' 19' ' ' PRO . 46.1 m-85 -72.76 -38.75 5.11 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.219 -179.512 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.591 ' CD ' ' N ' ' A' ' 18' ' ' PHE . 83.4 Cg_exo -51.25 -34.48 49.3 Favored 'Trans proline' 0 N--CA 1.458 -0.578 0 C-N-CA 121.682 1.588 . . . . 0.0 111.166 176.621 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 95.1 mttt -69.53 -32.52 71.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.22 176.769 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.409 HD22 ' HB3' ' A' ' 116' ' ' HIS . 88.5 mt -88.57 -4.9 58.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.209 -171.655 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 33.9 m -115.01 -2.79 10.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.199 176.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 79.0 p -72.78 -17.19 61.61 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.227 176.04 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 71.6 m -86.32 -18.17 32.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.181 -177.935 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 33.3 m -107.24 -1.73 9.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.224 -175.24 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 96.6 mt -112.4 15.18 20.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.213 -179.655 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 60.3 p -78.24 154.94 30.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.242 173.877 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -65.89 -36.48 83.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.22 179.072 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -70.45 -40.24 73.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.224 -179.446 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.402 ' CE2' HD22 ' A' ' 34' ' ' LEU . 67.9 t80 -62.78 -51.66 66.23 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.163 177.944 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 86.1 m -64.98 -32.41 74.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.208 -174.929 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 29.0 tt0 -71.51 -60.06 2.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.191 176.497 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 70.9 mm-40 -63.71 -32.89 74.52 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.202 -172.713 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.402 HD22 ' CE2' ' A' ' 30' ' ' PHE . 54.0 tp -57.86 -47.86 81.5 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.144 -179.458 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 91.0 mt -64.72 -32.61 58.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.17 177.36 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 99.7 mm-40 -68.74 -18.86 64.3 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.187 174.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 18.1 m-30 -88.7 -7.2 56.73 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.211 176.03 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 100.52 1.41 55.48 Favored Glycine 0 CA--C 1.523 0.56 0 N-CA-C 111.252 -0.739 . . . . 0.0 111.252 177.578 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.437 ' HA ' ' HB2' ' A' ' 6' ' ' LYS . 62.8 m-85 -97.5 128.11 44.0 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.766 0.317 . . . . 0.0 111.197 -177.366 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 27.5 m -131.85 -2.88 1.91 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.208 -173.727 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 28.2 ttm180 -124.94 139.97 53.35 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.183 177.639 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 57.8 tp -133.44 115.4 14.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.248 -179.807 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.429 HG23 ' CD1' ' A' ' 96' ' ' PHE . 98.2 mt -104.95 118.56 52.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.203 178.961 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 79.6 mt -118.56 115.94 49.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.178 -176.823 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 55.9 tp60 -78.41 129.73 35.28 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.243 173.828 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 77.6 m-85 -113.9 158.88 20.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.235 177.575 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -77.19 -62.12 2.51 Favored Glycine 0 CA--C 1.523 0.564 0 N-CA-C 111.199 -0.76 . . . . 0.0 111.199 -176.733 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 66.6 ttt180 -159.91 127.59 4.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.749 0.309 . . . . 0.0 111.208 -176.772 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 61.4 t30 61.02 57.43 2.53 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.185 171.0 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 87.5 m-85 -129.33 -36.69 1.69 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.202 173.501 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' SER . . . . . 0.443 ' O ' ' HB2' ' A' ' 82' ' ' ARG . 52.1 p -85.08 5.73 28.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.156 -179.714 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 69.5 m -55.78 -52.51 63.71 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.201 169.553 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 25.5 pt-20 -166.42 154.22 10.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.207 173.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 71.3 m-85 -122.78 25.02 8.87 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.223 174.904 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 25.3 tp10 -42.2 -45.15 4.0 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.174 -174.81 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 82.7 t60 -56.36 -55.08 37.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.183 178.924 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 97.1 mt -63.11 -33.02 74.55 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.201 -177.402 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.463 HG21 ' HB2' ' A' ' 65' ' ' ARG . 73.5 t -67.99 -36.99 77.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.239 -176.787 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 85.1 mt-30 -75.22 -18.64 60.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.234 179.522 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 76.3 mm-40 -80.07 -5.23 55.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.185 179.717 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 89.4 mmt-85 -125.15 -28.64 3.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.214 175.95 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 85.14 38.24 9.32 Favored Glycine 0 CA--C 1.523 0.562 0 N-CA-C 111.19 -0.764 . . . . 0.0 111.19 -173.753 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -95.31 -155.72 31.46 Favored Glycine 0 CA--C 1.524 0.608 0 N-CA-C 111.162 -0.775 . . . . 0.0 111.162 -175.176 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 62.9 tt0 -130.48 141.44 50.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.808 0.337 . . . . 0.0 111.157 -179.213 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.463 ' HB2' HG21 ' A' ' 58' ' ' VAL . 69.2 ttp85 -119.93 121.92 40.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.157 -173.392 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 78.0 mm-40 -135.73 168.18 19.77 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.227 -175.823 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 70.1 m -97.74 136.93 37.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.183 -177.798 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 80.5 mm-40 -120.01 103.62 9.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.192 168.79 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 93.9 mttt -99.98 80.39 2.3 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.179 177.353 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 73.4 mt -99.07 126.64 37.44 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.218 -174.768 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 79.2 Cg_exo -50.81 128.31 23.92 Favored 'Trans proline' 0 N--CA 1.458 -0.614 0 C-N-CA 121.679 1.586 . . . . 0.0 111.204 178.299 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 96.8 mt -78.21 -44.01 27.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.165 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 99.2 m-20 -75.79 -10.47 59.45 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.162 -171.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 63.2 tt0 -105.01 -49.96 3.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.207 -178.522 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 91.0 m-85 -103.33 -17.76 15.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.238 -173.402 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 79.7 18.93 71.95 Favored Glycine 0 CA--C 1.523 0.535 0 N-CA-C 111.193 -0.763 . . . . 0.0 111.193 -178.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 73.9 m -118.69 152.69 35.65 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.767 0.317 . . . . 0.0 111.238 -179.673 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -63.87 142.35 46.38 Favored Glycine 0 CA--C 1.523 0.59 0 N-CA-C 111.199 -0.76 . . . . 0.0 111.199 -172.926 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 56.5 p-10 -93.25 6.74 47.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.763 0.316 . . . . 0.0 111.206 177.449 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 54.3 p -124.97 41.74 3.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.212 174.739 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -86.5 145.53 26.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.184 -171.256 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 82' ' ' ARG . . . . . 0.443 ' HB2' ' O ' ' A' ' 51' ' ' SER . 20.2 tpp180 -110.03 115.27 29.47 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.221 -176.613 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 64.7 tt0 -83.02 118.32 23.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.166 -176.738 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -110.02 99.45 8.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.161 177.55 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 91.4 t -77.08 124.0 34.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.186 -175.26 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 83.8 mt -125.79 161.61 26.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.168 178.494 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 92.8 mmm 66.01 30.02 9.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.231 173.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 96.5 m-20 65.08 35.6 7.88 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.21 176.27 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 88.37 29.14 20.38 Favored Glycine 0 CA--C 1.524 0.601 0 N-CA-C 111.206 -0.758 . . . . 0.0 111.206 176.206 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -115.53 -20.25 10.28 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.785 0.326 . . . . 0.0 111.233 179.53 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.415 ' HG ' HG23 ' A' ' 93' ' ' VAL . 64.6 tp -121.72 120.08 33.61 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.183 177.601 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 97.1 mttt -101.78 91.68 4.5 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.173 -178.056 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 93' ' ' VAL . . . . . 0.415 HG23 ' HG ' ' A' ' 91' ' ' LEU . 84.3 t -95.54 105.89 17.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.207 176.032 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 67.6 mt -115.03 122.98 70.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.206 -175.148 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -85.44 133.26 11.66 Favored Glycine 0 CA--C 1.524 0.597 0 N-CA-C 111.194 -0.762 . . . . 0.0 111.194 179.865 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 96' ' ' PHE . . . . . 0.429 ' CD1' HG23 ' A' ' 43' ' ' ILE . 96.8 m-85 -122.44 101.61 7.6 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.776 0.322 . . . . 0.0 111.2 -178.824 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 28.5 t70 -97.73 92.05 5.68 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.202 168.34 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 12.6 p90 -152.02 179.92 8.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.211 -179.824 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 82.1 p -61.23 -176.87 0.08 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.177 -176.055 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 47.0 p -91.52 35.39 0.95 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.203 -173.655 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 75.5 mmtt -80.68 8.2 8.53 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.172 169.295 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 25.9 ptt? -66.56 -10.06 41.43 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.171 174.666 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 88.5 mt-30 -59.93 -22.53 62.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.225 174.332 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 71.4 m -76.87 -37.05 56.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.24 171.918 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 96.6 mt -66.89 -43.09 89.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.187 -177.839 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 17.7 tt -64.73 -18.02 22.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.205 -173.199 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 79.3 ttt180 -98.7 -40.08 8.35 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.218 176.648 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 96.3 m-20 -87.65 -54.12 4.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.212 -167.854 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 109' ' ' TYR . . . . . . . . . . . . . 90.9 m-85 -95.59 -36.15 11.36 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.214 -171.117 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 47.3 t -60.43 129.02 39.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.173 -176.377 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 53.3 m-20 -105.56 -30.53 9.46 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.234 169.46 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 10.0 tt -139.05 132.12 29.62 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.196 168.389 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 90.8 t -91.96 139.06 18.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.189 -174.323 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 69.4 mt -131.81 134.29 60.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.221 179.352 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 32.3 t -122.24 113.38 19.38 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.223 -178.296 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 116' ' ' HIS . . . . . 0.409 ' HB3' HD22 ' A' ' 21' ' ' LEU . 36.1 m170 -100.07 127.44 46.3 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.2 177.956 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . 59.36 53.04 5.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.19 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 170.13 157.99 13.29 Favored Glycine 0 CA--C 1.523 0.546 0 N-CA-C 111.169 -0.772 . . . . 0.0 111.169 175.113 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 72.3 p -128.04 1.2 5.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.766 0.317 . . . . 0.0 111.143 -176.686 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -68.97 -17.61 71.81 Favored Glycine 0 CA--C 1.523 0.564 0 N-CA-C 111.212 -0.755 . . . . 0.0 111.212 -178.456 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 60.2 m -65.25 -23.08 66.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.821 0.343 . . . . 0.0 111.203 179.751 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 122' ' ' ILE . . . . . . . . . . . . . 96.6 mt -51.96 -38.6 23.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.192 178.649 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 123' ' ' LEU . . . . . 0.419 HD23 HD23 ' A' ' 195' ' ' LEU . 93.8 mt -65.16 -32.27 73.88 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.196 -177.319 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 52.6 m-20 -97.27 -34.67 11.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.213 -168.38 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 32.9 t -69.45 -41.68 75.92 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.231 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 39.7 mt -80.81 -26.91 36.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.232 -170.933 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 52.9 ptt85 -74.8 -11.72 60.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.183 174.312 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 128' ' ' LEU . . . . . 0.427 ' O ' ' HB2' ' A' ' 129' ' ' ASN . 95.2 mt -95.25 -3.75 47.0 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.232 170.039 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 129' ' ' ASN . . . . . 0.427 ' HB2' ' O ' ' A' ' 128' ' ' LEU . 88.9 m-20 64.74 34.66 9.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.241 -174.307 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 95.8 mttt -116.43 148.14 41.11 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.207 -177.922 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 46.6 Cg_endo -69.05 147.48 67.57 Favored 'Trans proline' 0 N--CA 1.459 -0.542 0 C-N-CA 121.688 1.592 . . . . 0.0 111.187 -179.29 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 132' ' ' LEU . . . . . 0.423 ' HB3' HG22 ' A' ' 158' ' ' VAL . 43.4 tp -128.25 128.38 44.56 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.169 178.891 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 89.9 mt -107.87 122.85 62.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.193 169.89 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 89.5 t -109.14 128.07 65.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.171 -177.28 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 135' ' ' CYS . . . . . . . . . . . . . 53.4 t -105.09 122.9 46.85 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.211 -179.013 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 69.9 t -66.94 130.68 32.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.17 179.526 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 46.0 p-10 -90.38 -174.9 4.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.154 177.646 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 96.7 m-20 -70.92 -34.94 72.02 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.21 -179.366 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 60.6 p -74.44 -22.67 59.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.212 -172.226 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 58.9 tp -91.73 123.65 35.27 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.175 -176.751 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 141' ' ' MET . . . . . . . . . . . . . 99.1 mmm -91.69 50.12 1.66 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.229 178.589 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 70.6 m-20 56.5 32.25 20.44 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.24 178.175 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 98.9 m-20 -76.89 -40.35 47.73 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.181 179.684 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 144' ' ' HIS . . . . . . . . . . . . . 96.4 m-70 -94.38 -14.62 25.12 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.204 176.344 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 145' ' ' GLN . . . . . . . . . . . . . 14.3 tm0? -64.2 -49.56 71.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.187 177.304 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 146' ' ' GLN . . . . . . . . . . . . . 72.0 tp60 -66.82 -39.61 87.75 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.213 178.52 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 147' ' ' GLN . . . . . . . . . . . . . 7.3 tp60 -55.55 -52.66 62.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.18 176.463 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 148' ' ' ILE . . . . . . . . . . . . . 87.4 mt -59.37 -43.99 91.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.168 177.641 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -62.29 -34.99 77.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.21 -179.634 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 93.6 m-20 -69.95 -40.26 75.57 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.213 -176.446 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 151' ' ' LYS . . . . . . . . . . . . . 75.9 mmtt -115.01 -59.96 1.95 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.24 -169.453 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 152' ' ' PHE . . . . . 0.47 ' HB3' ' HB ' ' A' ' 158' ' ' VAL . 37.9 m-85 -74.99 -31.18 61.37 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.202 -163.386 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 153' ' ' VAL . . . . . . . . . . . . . 55.0 t -70.1 -39.96 77.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.182 175.04 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -69.85 -31.0 68.62 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.158 176.311 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 155' ' ' LEU . . . . . . . . . . . . . 96.0 mt -79.49 -28.69 41.45 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.236 174.538 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . 80.82 46.54 7.14 Favored Glycine 0 CA--C 1.523 0.584 0 N-CA-C 111.199 -0.76 . . . . 0.0 111.199 174.241 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 157' ' ' TYR . . . . . . . . . . . . . 81.4 m-85 -125.47 -44.95 1.82 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.814 0.34 . . . . 0.0 111.203 177.045 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 158' ' ' VAL . . . . . 0.47 ' HB ' ' HB3' ' A' ' 152' ' ' PHE . 48.1 t -125.06 129.2 73.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.206 178.967 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 159' ' ' TRP . . . . . . . . . . . . . 25.9 m-90 -119.97 129.93 54.53 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.224 -178.15 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 160' ' ' SER . . . . . . . . . . . . . 97.4 p -86.94 151.12 23.58 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.216 -179.656 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 161' ' ' CYS . . . . . 0.402 ' SG ' ' HA3' ' A' ' 171' ' ' GLY . 92.1 m -129.99 147.98 51.8 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.206 175.922 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -65.7 158.29 75.23 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.238 177.832 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 163' ' ' PRO . . . . . . . . . . . . . 93.2 Cg_endo -74.96 65.77 6.01 Favored 'Trans proline' 0 N--CA 1.458 -0.608 0 C-N-CA 121.709 1.606 . . . . 0.0 111.23 179.246 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 164' ' ' THR . . . . . . . . . . . . . 13.1 t -160.29 -179.3 7.6 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.238 178.048 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 165' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 -73.74 -40.69 63.33 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.21 -172.868 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 166' ' ' THR . . . . . . . . . . . . . 81.4 p -81.39 -15.03 56.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.185 -173.818 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 167' ' ' GLY . . . . . . . . . . . . . . . -66.92 -47.92 63.47 Favored Glycine 0 CA--C 1.524 0.601 0 N-CA-C 111.153 -0.779 . . . . 0.0 111.153 177.536 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 168' ' ' LEU . . . . . . . . . . . . . 59.7 tp -64.32 -39.88 94.79 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.785 0.326 . . . . 0.0 111.155 176.857 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 96.0 mt -61.28 -43.83 97.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.255 177.744 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 170' ' ' ALA . . . . . . . . . . . . . . . -65.51 -33.01 74.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.222 175.304 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 171' ' ' GLY . . . . . 0.402 ' HA3' ' SG ' ' A' ' 161' ' ' CYS . . . -62.39 -37.04 93.98 Favored Glycine 0 CA--C 1.523 0.564 0 N-CA-C 111.223 -0.751 . . . . 0.0 111.223 178.641 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 83.1 mt -61.05 -35.04 75.86 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.78 0.324 . . . . 0.0 111.166 177.316 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 173' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -77.38 -32.82 55.15 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.207 174.533 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -64.96 -31.18 72.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.17 -179.224 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 54.0 p -64.28 -20.82 66.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.176 179.508 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 176' ' ' GLN . . . . . . . . . . . . . 92.7 mm-40 -100.96 6.26 43.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.219 -176.626 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 177' ' ' THR . . . . . . . . . . . . . 89.4 m -70.59 -45.45 65.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.248 -179.038 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 178' ' ' GLU . . . . . . . . . . . . . 94.3 mt-10 -123.97 149.95 45.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.19 -178.531 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 179' ' ' LYS . . . . . . . . . . . . . 87.4 tttt -76.4 110.05 10.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.191 -179.422 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 180' ' ' LEU . . . . . 0.472 ' C ' HD23 ' A' ' 180' ' ' LEU . 7.1 tt -78.49 102.04 7.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.183 179.894 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 181' ' ' LYS . . . . . 0.419 ' HA ' ' HD3' ' A' ' 182' ' ' PRO . 99.5 mttt -93.67 149.15 36.67 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.205 178.892 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 182' ' ' PRO . . . . . 0.419 ' HD3' ' HA ' ' A' ' 181' ' ' LYS . 56.3 Cg_exo -56.84 148.89 63.89 Favored 'Trans proline' 0 N--CA 1.458 -0.56 0 C-N-CA 121.736 1.624 . . . . 0.0 111.154 -178.377 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 183' ' ' PHE . . . . . . . . . . . . . 53.0 m-85 -74.69 149.71 86.1 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.233 177.538 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 184' ' ' PRO . . . . . . . . . . . . . 60.6 Cg_endo -74.04 -17.95 21.73 Favored 'Trans proline' 0 N--CA 1.459 -0.553 0 C-N-CA 121.694 1.596 . . . . 0.0 111.215 -177.956 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 185' ' ' VAL . . . . . . . . . . . . . 59.8 t -91.38 116.27 32.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.195 -177.029 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 186' ' ' SER . . . . . . . . . . . . . 95.2 p -87.71 -15.45 37.05 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.199 -177.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 187' ' ' HIS . . . . . . . . . . . . . 96.9 m-70 -90.88 120.09 31.62 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.211 -179.233 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 188' ' ' ASN . . . . . 0.594 ' HB2' ' HD3' ' A' ' 189' ' ' PRO . 98.8 m-20 -69.81 -46.24 24.25 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.179 -177.543 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 189' ' ' PRO . . . . . 0.594 ' HD3' ' HB2' ' A' ' 188' ' ' ASN . 67.4 Cg_exo -56.52 -40.16 86.41 Favored 'Trans proline' 0 N--CA 1.458 -0.584 0 C-N-CA 121.684 1.589 . . . . 0.0 111.255 -179.45 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 190' ' ' SER . . . . . . . . . . . . . 71.1 m -79.47 -39.91 31.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.184 -179.19 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 191' ' ' PHE . . . . . . . . . . . . . 66.0 t80 -59.93 -43.49 94.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.144 -179.58 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 192' ' ' GLU . . . . . . . . . . . . . 95.4 mt-10 -59.93 -39.2 84.7 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.253 179.876 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 193' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -70.37 -30.05 66.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.149 178.617 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 194' ' ' LEU . . . . . . . . . . . . . 96.0 mt -82.04 -24.03 35.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.155 175.913 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 195' ' ' LEU . . . . . 0.419 HD23 HD23 ' A' ' 123' ' ' LEU . 41.8 tp -79.94 -39.97 29.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.19 -174.64 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 196' ' ' VAL . . . . . . . . . . . . . 23.2 m -63.01 -19.68 24.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.235 -179.902 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 197' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -67.26 -28.22 67.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.215 175.167 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 198' ' ' THR . . . . . . . . . . . . . 63.1 p -98.51 -24.58 15.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.25 179.59 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 199' ' ' ILE . . . . . . . . . . . . . 96.9 mt -68.63 -44.79 82.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.208 174.467 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 200' ' ' TYR . . . . . . . . . . . . . 68.0 m-85 -106.56 23.31 14.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.196 -177.715 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 201' ' ' SER . . . . . . . . . . . . . 42.7 t . . . . . 0 C--O 1.199 -1.567 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.218 177.49 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.539 0 N-CA-C 111.143 -0.783 . . . . 0.0 111.143 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 97.2 mt -69.29 -46.98 76.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.831 0.348 . . . . 0.0 111.279 -179.672 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 97.2 mt -70.04 -45.98 74.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.187 179.265 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -151.02 133.57 15.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.202 179.354 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -94.95 88.01 5.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.216 178.189 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 91.4 mttt -83.05 156.09 23.54 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.232 -176.897 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.434 ' HB3' ' HA ' ' A' ' 110' ' ' SER . . . -143.96 131.73 21.38 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.193 -172.715 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 91.4 mt -94.77 147.86 22.89 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.195 177.376 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 40.0 t80 -123.04 118.1 26.98 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.129 168.338 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 94.2 t -110.08 125.2 67.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.256 -168.935 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 96.9 m -125.01 117.25 23.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.189 171.571 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 72.4 m -82.78 168.68 16.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.244 -175.144 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -120.92 -160.39 11.07 Favored Glycine 0 CA--C 1.522 0.516 0 N-CA-C 111.2 -0.76 . . . . 0.0 111.2 -176.78 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -90.26 -48.14 7.34 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.745 0.307 . . . . 0.0 111.151 -176.506 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 80.0 m -69.88 -40.41 75.7 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.217 178.909 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 42.7 t -121.76 83.03 42.27 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.253 172.419 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.47 ' HG2' ' HD2' ' A' ' 19' ' ' PRO . 91.1 Cg_endo -81.04 -132.27 0.01 OUTLIER 'Trans proline' 0 N--CA 1.458 -0.587 0 C-N-CA 121.707 1.605 . . . . 0.0 111.16 -176.904 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' PHE . . . . . 0.572 ' HB2' ' HD3' ' A' ' 19' ' ' PRO . 93.6 m-85 -96.27 -45.9 0.25 Allowed Pre-proline 0 C--N 1.328 -0.329 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.195 -164.366 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.572 ' HD3' ' HB2' ' A' ' 18' ' ' PHE . 83.0 Cg_exo -50.22 -27.9 18.76 Favored 'Trans proline' 0 N--CA 1.458 -0.608 0 C-N-CA 121.699 1.599 . . . . 0.0 111.221 175.628 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 90.9 mttt -95.01 -60.02 1.77 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.221 178.846 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 25.3 tp -70.78 -37.24 73.31 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.214 -166.643 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 76.2 t -71.88 -38.94 66.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.267 -178.837 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 94.9 p -68.45 -23.02 64.56 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.213 178.613 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 99.4 m -86.88 -39.49 15.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.197 177.626 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -74.62 -20.07 16.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.203 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 89.0 mt -108.38 20.82 18.14 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.221 174.861 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 58.8 p -75.08 159.97 31.05 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.212 177.345 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 99.4 m-20 -65.11 -41.54 94.83 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.229 177.818 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 87.9 tt0 -68.51 -44.66 74.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.188 -177.625 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 68.5 t80 -61.82 -51.01 69.99 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.234 179.693 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 80.7 m -68.73 -29.24 67.62 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.205 -176.065 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 66.9 tt0 -54.61 -45.42 73.65 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.154 177.901 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 94.0 mt-10 -88.22 -27.89 21.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.215 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 42.4 tp -48.88 -48.79 41.89 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.187 177.883 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 8.3 tp -69.26 -20.05 24.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.216 179.838 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 65.2 mt-30 -90.29 -4.99 56.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.185 178.512 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 38.4 m-85 -99.67 -4.31 31.13 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.19 171.539 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 97.76 11.88 48.96 Favored Glycine 0 CA--C 1.523 0.592 0 N-CA-C 111.15 -0.78 . . . . 0.0 111.15 172.719 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 74.6 m-85 -93.16 125.84 37.96 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.82 0.343 . . . . 0.0 111.249 -177.763 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 35.8 m -125.13 -11.66 5.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.174 -175.148 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 82.4 mtt85 -122.97 142.46 50.81 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.201 177.596 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 61.9 tp -141.19 114.91 8.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.234 178.904 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 90.5 mt -103.8 125.02 58.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.248 -177.121 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 41.4 mm -110.61 116.91 53.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.222 -177.068 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 50.9 tt0 -91.73 102.06 14.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.274 179.536 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' PHE . . . . . 0.459 ' HA ' ' CE2' ' A' ' 18' ' ' PHE . 78.1 m-85 -84.22 148.8 26.53 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.173 178.112 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -84.84 -165.07 39.36 Favored Glycine 0 CA--C 1.524 0.61 0 N-CA-C 111.156 -0.778 . . . . 0.0 111.156 -174.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -79.06 -20.95 47.56 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.739 0.304 . . . . 0.0 111.206 -176.845 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 73.3 m-80 -102.1 8.41 40.77 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.203 179.106 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 97.0 m-85 -129.04 141.39 51.25 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.204 -177.801 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 84.8 p -109.42 163.68 13.19 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.187 179.518 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 19.5 p -85.08 62.0 7.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.137 179.514 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 53.1 mt-10 -112.57 118.93 36.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.193 -179.371 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 93.6 m-85 -109.95 15.22 22.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.163 177.578 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -60.41 -30.03 69.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.248 -176.236 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 86.4 t60 -61.41 -40.52 94.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.16 175.719 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 93.6 mt -88.04 -7.78 56.52 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.224 -172.959 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 55.8 t -60.61 -30.09 46.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.16 171.886 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 98.7 mm-40 -106.58 -30.0 9.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.193 178.335 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 75.1 mm-40 -89.13 -9.76 49.79 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.151 -175.03 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 90.7 mmt-85 -128.29 -42.47 1.51 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.215 173.375 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 109.23 19.33 8.53 Favored Glycine 0 CA--C 1.523 0.56 0 N-CA-C 111.208 -0.757 . . . . 0.0 111.208 173.196 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -87.86 174.35 44.22 Favored Glycine 0 CA--C 1.523 0.533 0 N-CA-C 111.234 -0.746 . . . . 0.0 111.234 -179.113 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 96.3 mm-40 -110.05 159.94 16.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.831 0.348 . . . . 0.0 111.217 175.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 79.0 ttt-85 -135.42 125.22 25.5 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.21 -174.422 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -146.67 139.86 25.55 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.218 176.515 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 95.6 p -74.66 159.01 32.63 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.24 -172.194 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 54.1 mm-40 -140.02 121.6 15.22 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.185 177.339 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -107.7 99.0 8.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.205 174.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.402 ' HB ' ' HB3' ' A' ' 77' ' ' CYS . 80.3 mt -114.83 134.31 22.46 Favored Pre-proline 0 C--N 1.328 -0.363 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.221 -164.627 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 56.8 Cg_endo -72.81 167.64 26.7 Favored 'Trans proline' 0 N--CA 1.458 -0.603 0 C-N-CA 121.719 1.612 . . . . 0.0 111.248 -176.366 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 50.9 pt -102.92 -7.19 9.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.16 178.627 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 67.4 m-20 -95.06 -29.46 14.58 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.142 -177.038 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 99.6 mm-40 -100.67 -30.03 11.97 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.199 -177.702 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 82.4 m-85 -124.87 -58.95 1.45 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.161 -176.403 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 113.03 42.59 0.91 Allowed Glycine 0 CA--C 1.524 0.649 0 N-CA-C 111.151 -0.78 . . . . 0.0 111.151 -179.088 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' CYS . . . . . 0.402 ' HB3' ' HB ' ' A' ' 70' ' ' ILE . 10.9 t -136.16 179.98 6.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.771 0.319 . . . . 0.0 111.194 -177.057 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -110.19 -159.85 17.6 Favored Glycine 0 CA--C 1.523 0.552 0 N-CA-C 111.202 -0.759 . . . . 0.0 111.202 -172.804 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 58.9 p-10 -114.13 5.36 15.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.814 0.34 . . . . 0.0 111.241 -178.859 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 59.7 p -93.89 -2.38 53.44 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.111 172.943 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -58.66 129.45 42.14 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.265 177.27 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 90.0 mmt-85 -128.79 120.72 26.88 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.181 176.914 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 67.0 tt0 -81.51 126.91 32.25 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.241 -176.467 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 84' ' ' TYR . . . . . 0.433 ' HB3' ' HB ' ' A' ' 93' ' ' VAL . 68.9 t80 -125.63 128.71 48.3 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.178 177.04 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 84.3 t -98.55 123.44 51.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.219 -166.68 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 93.4 mt -130.0 162.81 27.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.291 170.618 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 88.3 mmm 61.58 30.01 18.49 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.177 176.202 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 96.5 m-20 65.05 34.41 8.82 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.143 177.222 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 95.36 -3.46 66.21 Favored Glycine 0 CA--C 1.522 0.517 0 N-CA-C 111.183 -0.767 . . . . 0.0 111.183 175.781 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -80.79 -20.82 41.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.767 0.318 . . . . 0.0 111.228 -179.477 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 63.5 tp -116.91 109.94 17.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.208 173.659 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -93.42 109.95 21.51 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.229 177.186 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 93' ' ' VAL . . . . . 0.433 ' HB ' ' HB3' ' A' ' 84' ' ' TYR . 62.2 t -99.65 119.11 47.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.223 -179.715 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 75.3 mt -112.51 105.98 19.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.168 -178.557 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -93.91 142.49 16.03 Favored Glycine 0 CA--C 1.523 0.559 0 N-CA-C 111.164 -0.774 . . . . 0.0 111.164 175.658 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 27.5 p90 -148.37 161.55 41.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.854 0.359 . . . . 0.0 111.211 178.738 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 97' ' ' ASP . . . . . 0.649 ' O ' ' C ' ' A' ' 98' ' ' PHE . 64.9 t0 -100.04 106.3 18.04 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.263 -179.89 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 98' ' ' PHE . . . . . 0.649 ' C ' ' O ' ' A' ' 97' ' ' ASP . 82.9 t80 -5.09 99.17 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.149 -175.421 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 66.4 m -120.72 148.45 43.93 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.148 177.144 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 81.0 p -82.95 -18.8 38.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.157 171.638 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -71.05 -39.88 71.99 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.204 174.186 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 25.9 ttt -90.02 83.84 6.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.214 176.948 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 87.5 mm-40 -134.45 -35.04 0.92 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.239 175.749 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 47.5 t -70.1 -49.37 51.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.169 -178.913 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 16.9 tt -60.61 -27.22 40.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.228 -176.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 96.7 mt -71.19 -49.71 46.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.157 176.041 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 107' ' ' ARG . . . . . 0.419 ' HG2' ' HG ' ' A' ' 128' ' ' LEU . 96.6 mtt180 -64.97 -29.94 70.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.185 175.949 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 99.4 m-20 -75.76 -37.13 59.57 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.151 -175.013 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 109' ' ' TYR . . . . . . . . . . . . . 14.2 m-30 -100.0 -50.04 4.12 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.177 -172.533 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 110' ' ' SER . . . . . 0.434 ' HA ' ' HB3' ' A' ' 7' ' ' ALA . 48.2 t -64.99 134.26 53.51 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.224 -171.541 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 54.3 p-10 -130.0 0.98 4.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.128 178.171 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 67.4 tp -147.29 124.95 11.78 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.179 167.719 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 58.2 t -104.61 132.27 51.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.225 -173.427 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 114' ' ' ILE . . . . . 0.439 HG12 ' HB ' ' A' ' 133' ' ' ILE . 82.1 mt -120.77 128.73 76.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.194 176.812 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 91.3 p -143.97 155.0 43.87 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.175 -178.256 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 84.0 t60 -83.76 147.53 27.55 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.158 169.958 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -69.86 84.93 0.49 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.236 -177.318 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -133.36 173.18 21.22 Favored Glycine 0 CA--C 1.523 0.539 0 N-CA-C 111.271 -0.732 . . . . 0.0 111.271 174.648 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 96.8 m -62.97 -57.73 9.75 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.727 0.299 . . . . 0.0 111.223 -177.071 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -85.03 -25.02 42.2 Favored Glycine 0 CA--C 1.523 0.56 0 N-CA-C 111.207 -0.757 . . . . 0.0 111.207 -178.773 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 73.2 m -64.91 -49.57 69.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.769 0.319 . . . . 0.0 111.15 -178.285 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 122' ' ' ILE . . . . . . . . . . . . . 94.7 mt -64.75 -45.83 93.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.212 176.094 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 36.2 tp -61.54 -38.09 86.17 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.244 -175.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 93.6 m-20 -70.16 -34.99 73.71 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.191 177.381 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 97.4 p -76.86 -13.66 59.97 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.198 178.11 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 91.5 mt -92.14 10.02 31.09 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.192 173.928 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 76.1 mtp85 -74.38 -14.76 60.91 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.155 171.078 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 128' ' ' LEU . . . . . 0.419 ' HG ' ' HG2' ' A' ' 107' ' ' ARG . 8.3 mp -108.42 155.11 20.94 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.192 172.82 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 11.4 m120 -93.57 8.06 42.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.177 177.231 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 30.2 mmtp -80.96 152.28 71.46 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.212 -178.933 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_exo -50.6 148.1 16.22 Favored 'Trans proline' 0 N--CA 1.459 -0.55 0 C-N-CA 121.731 1.621 . . . . 0.0 111.164 178.461 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 132' ' ' LEU . . . . . 0.474 ' O ' ' HA ' ' A' ' 158' ' ' VAL . 56.7 tp -125.04 125.58 44.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.233 -166.47 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 133' ' ' ILE . . . . . 0.439 ' HB ' HG12 ' A' ' 114' ' ' ILE . 91.7 mt -95.3 124.52 47.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.18 166.815 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 89.5 t -115.49 120.59 65.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.234 -179.762 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 135' ' ' CYS . . . . . 0.535 ' SG ' ' HA ' ' A' ' 163' ' ' PRO . 46.6 t -87.24 110.72 20.38 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.174 171.508 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 27.5 m -63.37 159.76 3.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.144 -168.052 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 137' ' ' ASN . . . . . 0.506 ' HB3' ' HG ' ' A' ' 140' ' ' LEU . 3.0 t-20 -94.97 172.8 7.93 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.16 -175.605 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 67.2 m-20 -106.53 -25.22 11.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.156 174.847 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 86.6 p -75.6 -15.0 60.4 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.198 178.943 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 140' ' ' LEU . . . . . 0.506 ' HG ' ' HB3' ' A' ' 137' ' ' ASN . 98.5 mt -66.54 145.01 56.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.181 174.37 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 141' ' ' MET . . . . . . . . . . . . . 66.2 mtt -68.47 159.98 30.64 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.213 176.382 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -53.32 -38.82 63.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.167 176.117 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 99.4 m-20 -68.43 -39.84 81.39 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.195 176.617 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 144' ' ' HIS . . . . . . . . . . . . . 59.3 m170 -59.56 -46.86 87.67 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.188 178.525 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 145' ' ' GLN . . . . . . . . . . . . . 89.8 mt-30 -66.89 -47.41 71.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.216 -177.795 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 146' ' ' GLN . . . . . . . . . . . . . 72.9 tp60 -65.12 -46.95 78.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.231 -176.482 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 147' ' ' GLN . . . . . . . . . . . . . 99.3 mm-40 -72.3 -40.63 67.37 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.247 -170.788 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 148' ' ' ILE . . . . . . . . . . . . . 6.2 tp -77.61 -30.49 16.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.224 -176.073 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -68.89 -37.2 78.87 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.191 174.269 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 95.5 m-20 -69.93 -31.09 68.66 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.207 175.354 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 151' ' ' LYS . . . . . . . . . . . . . 65.5 mmtt -78.58 -30.08 46.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.198 179.63 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 152' ' ' PHE . . . . . . . . . . . . . 13.4 m-30 -55.83 -43.84 77.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.224 175.481 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 153' ' ' VAL . . . . . . . . . . . . . 96.2 t -88.05 -40.21 13.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.237 -177.35 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 42.8 tt0 -53.94 -46.99 71.7 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.17 176.911 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 155' ' ' LEU . . . . . . . . . . . . . 91.2 mt -65.19 -36.83 85.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.208 173.315 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . 79.73 36.65 25.21 Favored Glycine 0 CA--C 1.523 0.581 0 N-CA-C 111.15 -0.78 . . . . 0.0 111.15 175.319 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 157' ' ' TYR . . . . . . . . . . . . . 22.3 m-85 -126.02 -25.0 3.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.799 0.333 . . . . 0.0 111.215 179.467 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 158' ' ' VAL . . . . . 0.474 ' HA ' ' O ' ' A' ' 132' ' ' LEU . 64.4 t -123.3 140.03 48.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.191 -166.051 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 159' ' ' TRP . . . . . . . . . . . . . 31.3 m-90 -97.69 144.99 26.77 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.205 171.188 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 160' ' ' SER . . . . . . . . . . . . . 41.7 t -105.38 115.33 30.07 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.165 179.56 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 161' ' ' CYS . . . . . . . . . . . . . 71.7 m -117.97 159.22 23.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.151 179.858 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -85.47 155.74 59.53 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.181 -179.648 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 163' ' ' PRO . . . . . 0.535 ' HA ' ' SG ' ' A' ' 135' ' ' CYS . 93.7 Cg_endo -77.73 68.13 7.75 Favored 'Trans proline' 0 N--CA 1.458 -0.6 0 C-N-CA 121.636 1.557 . . . . 0.0 111.248 -179.405 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 164' ' ' THR . . . . . . . . . . . . . 13.6 t -160.56 178.93 9.02 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.199 175.818 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 165' ' ' GLU . . . . . . . . . . . . . 89.2 tt0 -64.97 -43.93 91.0 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.202 -174.652 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 166' ' ' THR . . . . . . . . . . . . . 80.4 p -73.62 -20.07 60.69 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.166 -177.344 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 167' ' ' GLY . . . . . . . . . . . . . . . -71.34 -43.22 55.19 Favored Glycine 0 CA--C 1.523 0.582 0 N-CA-C 111.309 -0.717 . . . . 0.0 111.309 174.854 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 168' ' ' LEU . . . . . . . . . . . . . 69.2 tp -60.38 -46.96 88.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.761 0.315 . . . . 0.0 111.214 172.901 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 97.8 mt -60.78 -39.94 83.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.216 175.954 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 170' ' ' ALA . . . . . . . . . . . . . . . -71.43 -16.24 62.38 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.218 -178.738 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 171' ' ' GLY . . . . . . . . . . . . . . . -62.33 -47.95 85.9 Favored Glycine 0 CA--C 1.523 0.568 0 N-CA-C 111.231 -0.748 . . . . 0.0 111.231 176.873 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 93.1 mt -70.16 -33.54 71.89 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.777 0.323 . . . . 0.0 111.22 176.456 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 173' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -65.2 -34.45 78.4 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.238 174.051 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -70.84 -41.38 71.57 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.266 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 87.2 p -68.46 -29.87 68.61 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.191 176.355 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 176' ' ' GLN . . . . . . . . . . . . . 71.1 tp60 -71.08 -40.54 71.52 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.168 175.555 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 177' ' ' THR . . . . . . . . . . . . . 89.0 m -70.49 -44.71 67.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.213 179.084 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 178' ' ' GLU . . . . . . . . . . . . . 89.2 tt0 -142.73 109.98 5.65 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.222 -178.047 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 179' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -80.23 140.78 36.1 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.216 179.228 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 180' ' ' LEU . . . . . . . . . . . . . 94.4 mt -116.82 172.12 7.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.23 -177.862 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 181' ' ' LYS . . . . . . . . . . . . . 75.3 mmtt -90.22 158.24 44.08 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.229 -171.706 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 182' ' ' PRO . . . . . . . . . . . . . 86.2 Cg_endo -70.79 166.24 29.53 Favored 'Trans proline' 0 N--CA 1.458 -0.586 0 C-N-CA 121.699 1.599 . . . . 0.0 111.133 172.312 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 183' ' ' PHE . . . . . . . . . . . . . 78.0 m-85 -81.43 125.14 79.52 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.227 -176.41 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 184' ' ' PRO . . . . . . . . . . . . . 93.3 Cg_endo -76.32 -15.01 18.15 Favored 'Trans proline' 0 N--CA 1.458 -0.567 0 C-N-CA 121.603 1.535 . . . . 0.0 111.219 176.826 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 185' ' ' VAL . . . . . . . . . . . . . 95.7 t -69.93 127.68 32.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.198 -175.701 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 186' ' ' SER . . . . . . . . . . . . . 86.4 p -114.45 5.02 15.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.243 -176.632 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 187' ' ' HIS . . . . . . . . . . . . . 92.4 m-70 -119.95 140.54 50.76 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.225 -178.389 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 188' ' ' ASN . . . . . 0.57 ' HB2' ' HD3' ' A' ' 189' ' ' PRO . 99.6 m-20 -69.43 -46.21 27.24 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.299 -0.409 . . . . 0.0 111.168 -178.51 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 189' ' ' PRO . . . . . 0.57 ' HD3' ' HB2' ' A' ' 188' ' ' ASN . 53.3 Cg_exo -55.06 -37.89 93.73 Favored 'Trans proline' 0 N--CA 1.459 -0.537 0 C-N-CA 121.688 1.592 . . . . 0.0 111.178 176.655 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 190' ' ' SER . . . . . . . . . . . . . 71.4 m -71.66 -39.16 70.5 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.183 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 191' ' ' PHE . . . . . . . . . . . . . 6.7 m-85 -56.73 -45.7 81.8 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.195 174.481 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 192' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -63.42 -47.34 82.36 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.242 178.513 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 193' ' ' ARG . . . . . . . . . . . . . 95.1 mtt-85 -70.12 -19.97 63.2 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.216 -177.117 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 194' ' ' LEU . . . . . . . . . . . . . 56.2 tp -70.09 -60.62 2.18 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.202 -179.244 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 195' ' ' LEU . . . . . . . . . . . . . 84.2 mt -112.49 -40.68 4.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.236 -171.868 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 196' ' ' VAL . . . . . . . . . . . . . 74.0 t -72.86 -39.75 59.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.218 -167.146 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 197' ' ' GLU . . . . . . . . . . . . . 76.0 mm-40 -76.27 -28.23 56.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.187 179.396 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 198' ' ' THR . . . . . . . . . . . . . 81.8 p -88.8 -27.54 21.04 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.176 -171.948 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 199' ' ' ILE . . . . . . . . . . . . . 14.7 tt -70.37 -18.78 21.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.284 -0.417 . . . . 0.0 111.235 178.126 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 200' ' ' TYR . . . . . . . . . . . . . 68.1 m-85 -111.39 35.04 3.76 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.217 173.538 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 201' ' ' SER . . . . . . . . . . . . . 41.0 t . . . . . 0 C--O 1.2 -1.518 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.179 -178.11 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.622 0 N-CA-C 111.175 -0.77 . . . . 0.0 111.175 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 96.0 mt -88.85 -41.78 14.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.841 0.353 . . . . 0.0 111.238 -179.422 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 97.3 mt -62.98 -49.56 83.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.195 -178.433 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 87.4 tt0 -69.99 131.14 43.92 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.181 174.361 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 93.7 mt-10 -111.09 92.42 4.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.2 -172.139 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 85.9 mttt -94.62 154.92 17.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.238 168.713 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -128.39 137.63 51.97 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.14 -172.829 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 65.4 mt -103.01 147.6 26.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.234 170.365 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 1.6 t80 -120.02 93.0 3.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.209 172.794 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.404 HG22 ' HB ' ' A' ' 114' ' ' ILE . 64.4 t -94.0 115.32 32.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.159 -179.341 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 52.3 m -107.43 126.02 51.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.148 177.691 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 60.3 m -107.04 162.92 13.42 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.129 177.338 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -85.04 -171.63 48.44 Favored Glycine 0 CA--C 1.523 0.538 0 N-CA-C 111.267 -0.733 . . . . 0.0 111.267 -178.248 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -107.66 18.62 21.2 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.755 0.312 . . . . 0.0 111.192 179.507 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 40.4 p -124.99 -69.54 0.79 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.219 -174.359 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 82.4 t -58.64 130.16 85.09 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.144 -175.668 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 76.0 Cg_exo -51.17 130.49 32.32 Favored 'Trans proline' 0 N--CA 1.458 -0.596 0 C-N-CA 121.734 1.623 . . . . 0.0 111.125 178.456 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' PHE . . . . . 0.638 ' N ' ' CD ' ' A' ' 19' ' ' PRO . 10.8 m-30 -70.11 -35.98 5.68 Favored Pre-proline 0 C--N 1.33 -0.259 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.193 176.834 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.638 ' CD ' ' N ' ' A' ' 18' ' ' PHE . 72.0 Cg_exo -53.86 -16.83 9.36 Favored 'Trans proline' 0 N--CA 1.458 -0.583 0 C-N-CA 121.695 1.597 . . . . 0.0 111.206 175.138 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -94.46 -31.55 13.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.218 173.932 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 94.5 mt -95.97 -62.64 1.25 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.288 -171.721 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 5.7 m -79.29 -15.92 13.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.184 -169.013 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 82.9 p -60.97 -28.98 69.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.166 174.485 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 71.8 m -87.97 -30.08 20.29 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.155 175.673 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 78.5 t -65.31 -26.6 39.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.211 171.564 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 86.2 mt -104.99 27.27 8.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.2 175.805 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 4.9 t -65.45 147.56 53.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.219 179.748 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 68.6 m-20 -68.55 -22.05 64.51 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.165 175.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -93.03 -35.39 13.28 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.24 178.551 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 91.5 t80 -58.53 -49.69 76.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.209 173.453 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 96.6 m -64.91 -33.01 75.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.198 -176.038 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 65.7 tt0 -63.16 -58.03 8.58 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.226 176.71 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 69.6 mm-40 -62.49 -33.65 75.3 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.173 177.615 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 37.8 tp -57.25 -48.35 79.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.183 179.308 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 94.0 mt -60.93 -38.42 79.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.196 176.527 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 99.5 mm-40 -66.94 -19.75 65.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.253 178.892 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 23.2 m-30 -87.32 -10.43 52.27 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.215 178.401 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 99.33 6.04 55.55 Favored Glycine 0 CA--C 1.523 0.577 0 N-CA-C 111.15 -0.78 . . . . 0.0 111.15 179.446 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 72.3 m-85 -98.15 123.8 42.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.863 0.363 . . . . 0.0 111.15 -176.258 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 35.7 m -132.89 -6.82 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.17 -178.858 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 94.5 mtt-85 -110.08 98.88 8.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.181 177.134 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 58.0 tp -101.12 106.84 18.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.228 -176.647 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 96.8 mt -96.38 132.26 41.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.181 175.89 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 78.0 mt -128.6 125.27 63.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.203 174.882 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 65.7 tt0 -94.35 120.77 35.09 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.175 178.94 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 42.5 m-85 -75.04 162.06 28.89 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.183 -179.271 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -93.8 178.56 37.9 Favored Glycine 0 CA--C 1.525 0.658 0 N-CA-C 111.144 -0.782 . . . . 0.0 111.144 179.857 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 79.8 ttt180 -68.87 -33.57 74.01 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.777 0.322 . . . . 0.0 111.191 -177.378 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 73.0 m-80 -100.86 17.17 22.86 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.157 -172.385 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 95.5 m-85 -129.62 139.98 51.29 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.211 -177.845 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 97.8 p -78.9 152.73 31.0 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.195 179.648 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 59.2 p -84.96 66.79 9.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.239 -173.028 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 19.8 pt-20 -150.04 145.54 26.45 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.145 -179.368 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 68.2 m-85 -116.45 26.35 9.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.151 169.756 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -51.22 -46.0 62.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.263 -171.726 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 83.5 t60 -63.56 -54.97 27.78 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.172 -176.215 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 90.1 mt -70.6 -38.31 73.98 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.173 -170.775 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 54.9 t -69.22 -44.46 80.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.171 -177.413 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 86.8 mt-30 -64.99 -33.75 76.79 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.218 175.04 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -66.24 -40.06 89.95 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.215 174.825 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 39.5 mmt180 -76.25 -21.38 56.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.202 -179.771 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 94.63 30.97 8.12 Favored Glycine 0 CA--C 1.523 0.574 0 N-CA-C 111.207 -0.757 . . . . 0.0 111.207 175.11 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -95.02 -165.01 35.34 Favored Glycine 0 CA--C 1.523 0.589 0 N-CA-C 111.19 -0.764 . . . . 0.0 111.19 178.955 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 61.4 tp60 -127.48 119.91 27.15 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.724 0.297 . . . . 0.0 111.232 -179.887 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 55.5 ptt85 -75.0 144.98 42.85 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.177 179.757 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 19.6 mm-40 -138.34 82.24 1.9 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.227 175.33 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 26.1 t -64.53 106.36 1.14 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.151 177.435 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 85.3 mm-40 -120.3 179.91 4.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.177 -173.69 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -121.75 90.24 3.27 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.274 179.837 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 28.5 mm -62.76 129.81 93.28 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.201 178.667 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 67.4 Cg_endo -77.6 146.38 24.1 Favored 'Trans proline' 0 N--CA 1.458 -0.588 0 C-N-CA 121.781 1.654 . . . . 0.0 111.192 -175.511 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 96.7 mt -86.84 -40.1 13.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.212 176.676 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 99.4 m-20 -71.69 -39.48 70.19 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.222 -178.317 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 88.8 mt-30 -88.77 -49.94 6.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.178 -172.541 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 74.0 t80 -91.19 -56.0 3.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.233 -177.174 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 119.61 28.25 1.97 Allowed Glycine 0 CA--C 1.523 0.591 0 N-CA-C 111.173 -0.771 . . . . 0.0 111.173 174.772 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 15.7 t -146.55 165.57 29.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.862 0.363 . . . . 0.0 111.158 175.435 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -72.42 171.44 49.28 Favored Glycine 0 CA--C 1.524 0.596 0 N-CA-C 111.23 -0.748 . . . . 0.0 111.23 -174.598 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 58.2 p-10 -94.14 12.01 28.03 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.774 0.321 . . . . 0.0 111.207 -172.382 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 82.6 p -84.56 -13.52 51.54 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.19 174.859 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -66.56 146.09 54.89 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.193 175.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 77.9 mtt85 -127.41 149.18 50.2 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.178 -174.831 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 83' ' ' GLN . . . . . 0.431 ' HG2' HG12 ' A' ' 94' ' ' ILE . 79.2 mt-30 -104.73 150.14 25.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.169 178.15 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 97.0 m-85 -142.67 146.29 34.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.225 -179.779 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 99.2 t -113.25 118.62 58.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.214 -176.734 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 94.3 mt -119.73 164.11 16.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.253 175.585 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 88.8 mmm 62.35 29.94 17.34 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.193 173.965 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 96.4 m-20 64.7 34.95 9.24 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.207 174.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 98.12 -3.72 60.32 Favored Glycine 0 CA--C 1.523 0.591 0 N-CA-C 111.236 -0.746 . . . . 0.0 111.236 174.579 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -80.55 -25.48 38.58 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.869 0.366 . . . . 0.0 111.251 -177.882 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 62.6 tp -122.84 124.56 43.55 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.26 178.755 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -105.03 114.99 29.52 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.178 177.147 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 58.5 t -110.26 121.36 62.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.175 -177.352 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 94' ' ' ILE . . . . . 0.431 HG12 ' HG2' ' A' ' 83' ' ' GLN . 68.5 mt -124.89 128.86 73.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.224 -179.425 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -111.65 133.28 11.37 Favored Glycine 0 CA--C 1.523 0.562 0 N-CA-C 111.254 -0.738 . . . . 0.0 111.254 -177.95 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 99.0 m-85 -116.36 159.64 21.65 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.736 0.303 . . . . 0.0 111.243 -172.527 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 10.0 t0 -75.0 170.04 16.79 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.229 -175.42 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 89.4 t80 -82.92 118.07 23.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.197 -177.852 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 12.6 t -171.88 138.46 1.06 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.201 176.826 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 81.7 p -80.88 -14.66 57.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.211 174.498 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -84.56 -31.97 24.07 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.18 175.215 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 66.2 mtt -74.69 -44.83 48.16 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.155 179.284 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 103' ' ' GLN . . . . . 0.456 ' HA ' ' HB ' ' A' ' 106' ' ' ILE . 20.6 pt20 -69.92 -19.89 63.37 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.234 -172.711 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 60.6 p -66.8 -20.69 65.99 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.161 177.558 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 95.1 mt -104.17 -38.75 5.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.219 175.332 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 106' ' ' ILE . . . . . 0.456 ' HB ' ' HA ' ' A' ' 103' ' ' GLN . 94.9 mt -56.17 -35.3 41.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.219 177.203 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 107' ' ' ARG . . . . . 0.404 ' HB2' HD11 ' A' ' 128' ' ' LEU . 35.9 ptt180 -62.64 -20.08 64.44 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.136 -178.639 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 97.2 m-20 -77.46 -8.95 58.55 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.176 -178.793 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 109' ' ' TYR . . . . . . . . . . . . . 59.0 m-85 -110.13 40.88 1.84 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.123 179.803 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 87.4 p -143.11 154.99 44.49 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.163 -174.945 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 55.8 m-20 -113.6 -32.77 6.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.169 176.549 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 112' ' ' LEU . . . . . 0.444 HD23 ' C ' ' A' ' 112' ' ' LEU . 10.5 tt -135.38 133.41 38.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.198 177.373 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 95.9 t -104.87 133.12 49.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.205 -170.501 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 114' ' ' ILE . . . . . 0.404 ' HB ' HG22 ' A' ' 10' ' ' VAL . 89.6 mt -124.47 135.21 64.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.261 -177.362 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 36.9 t -123.79 141.54 51.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.199 -178.311 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 97.9 m-70 -107.04 83.8 1.88 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.152 167.846 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . 55.04 53.86 9.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.202 -177.959 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -137.21 150.53 20.71 Favored Glycine 0 CA--C 1.523 0.568 0 N-CA-C 111.219 -0.753 . . . . 0.0 111.219 175.141 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 82.2 p -106.2 -26.95 11.35 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.79 0.328 . . . . 0.0 111.213 -171.07 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -64.88 -39.01 96.23 Favored Glycine 0 CA--C 1.523 0.563 0 N-CA-C 111.19 -0.764 . . . . 0.0 111.19 176.308 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 48.5 t -65.33 -39.53 92.52 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.791 0.329 . . . . 0.0 111.175 176.463 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 122' ' ' ILE . . . . . . . . . . . . . 93.7 mt -60.64 -44.99 98.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.224 176.691 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 56.7 tp -59.18 -43.17 92.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.208 177.301 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 97.6 m-20 -59.47 -45.14 92.5 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.12 177.235 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 22.7 t -60.15 -41.98 93.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.251 -179.812 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 96.2 mt -74.21 -31.57 62.67 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.167 -176.786 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -72.74 -30.09 63.88 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.237 175.932 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 128' ' ' LEU . . . . . 0.404 HD11 ' HB2' ' A' ' 107' ' ' ARG . 96.0 mt -83.79 -17.68 40.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.221 175.285 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 79.0 m-20 65.22 36.06 7.34 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.172 -174.905 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 41.2 mmtm -111.56 159.98 31.17 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.236 -178.104 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 68.4 Cg_exo -57.52 145.23 89.74 Favored 'Trans proline' 0 N--CA 1.458 -0.564 0 C-N-CA 121.724 1.616 . . . . 0.0 111.141 -176.388 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 49.0 tp -120.72 119.7 33.53 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.176 -175.848 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 85.4 mt -120.35 127.66 75.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.233 177.587 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 96.8 t -114.92 126.07 72.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.239 177.524 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 135' ' ' CYS . . . . . . . . . . . . . 53.9 t -119.12 125.29 48.92 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.257 -179.484 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 32.8 m -86.33 171.96 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.22 -170.445 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 18.7 p-10 -92.49 179.95 5.37 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.245 -174.404 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 96.3 m-20 -76.95 -14.68 59.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.232 -167.281 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 86.7 p -68.01 -18.69 64.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.201 -176.37 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 90.3 mt -99.91 149.75 23.1 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.254 177.869 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 141' ' ' MET . . . . . . . . . . . . . 91.8 mmm -94.94 -145.06 0.26 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.261 -176.745 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 64.6 m-20 -96.76 -39.73 9.31 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.201 -177.722 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 99.0 m-20 -65.88 -32.2 73.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.149 173.912 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 144' ' ' HIS . . . . . . . . . . . . . 37.0 m170 -63.59 -47.51 81.16 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.172 174.201 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 145' ' ' GLN . . . . . 0.462 ' HG3' ' HA ' ' A' ' 162' ' ' ALA . 23.5 tm0? -68.62 -30.9 69.72 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.235 -178.811 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 146' ' ' GLN . . . . . . . . . . . . . 71.7 tp60 -64.64 -47.79 77.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.182 177.061 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 147' ' ' GLN . . . . . . . . . . . . . 87.8 mt-30 -64.85 -35.23 80.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.196 178.839 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 148' ' ' ILE . . . . . . . . . . . . . 92.3 mt -65.38 -46.67 89.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.227 175.196 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -63.24 -36.56 84.06 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.164 179.468 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 96.2 m-20 -56.99 -32.2 65.86 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.196 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 151' ' ' LYS . . . . . . . . . . . . . 59.6 mmtt -95.38 -29.94 14.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.176 -175.829 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 152' ' ' PHE . . . . . . . . . . . . . 7.1 m-30 -68.07 -27.56 66.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.145 174.883 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 153' ' ' VAL . . . . . . . . . . . . . 53.5 t -70.72 -39.41 75.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.161 171.198 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 92.5 mt-10 -62.79 -35.26 79.27 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.202 174.763 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 155' ' ' LEU . . . . . . . . . . . . . 84.7 mt -64.98 -49.96 68.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.133 173.289 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . 80.05 19.33 70.11 Favored Glycine 0 CA--C 1.523 0.591 0 N-CA-C 111.176 -0.769 . . . . 0.0 111.176 168.146 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 157' ' ' TYR . . . . . . . . . . . . . 26.2 p90 -140.07 9.59 2.34 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.784 0.326 . . . . 0.0 111.2 176.284 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 158' ' ' VAL . . . . . . . . . . . . . 7.6 p -147.81 135.0 13.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.254 -176.537 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 159' ' ' TRP . . . . . . . . . . . . . 91.7 m95 -98.14 150.12 21.79 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.22 176.719 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 160' ' ' SER . . . . . . . . . . . . . 31.2 t -111.59 126.61 55.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.22 176.904 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 161' ' ' CYS . . . . . 0.421 ' SG ' ' HA3' ' A' ' 171' ' ' GLY . 91.2 m -115.18 145.01 42.82 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.212 177.327 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 162' ' ' ALA . . . . . 0.462 ' HA ' ' HG3' ' A' ' 145' ' ' GLN . . . -75.26 158.43 83.88 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.229 177.669 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 163' ' ' PRO . . . . . . . . . . . . . 88.7 Cg_endo -78.99 61.35 8.13 Favored 'Trans proline' 0 N--CA 1.458 -0.581 0 C-N-CA 121.694 1.596 . . . . 0.0 111.226 -178.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 164' ' ' THR . . . . . . . . . . . . . 28.0 p -133.29 -175.36 3.78 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.18 177.278 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 165' ' ' GLU . . . . . . . . . . . . . 89.2 mt-10 -87.59 7.92 27.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.172 173.004 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 166' ' ' THR . . . . . . . . . . . . . 82.0 p -125.55 -19.62 4.94 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.235 -178.75 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 167' ' ' GLY . . . . . . . . . . . . . . . -62.84 -47.73 86.64 Favored Glycine 0 CA--C 1.523 0.541 0 N-CA-C 111.172 -0.771 . . . . 0.0 111.172 -177.767 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 168' ' ' LEU . . . . . . . . . . . . . 25.0 tp -67.26 -32.54 73.61 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.744 0.307 . . . . 0.0 111.206 -179.599 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 96.3 mt -61.08 -44.37 98.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.262 174.24 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 170' ' ' ALA . . . . . . . . . . . . . . . -61.97 -37.69 85.71 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.271 177.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 171' ' ' GLY . . . . . 0.421 ' HA3' ' SG ' ' A' ' 161' ' ' CYS . . . -63.97 -41.23 98.71 Favored Glycine 0 CA--C 1.524 0.607 0 N-CA-C 111.162 -0.775 . . . . 0.0 111.162 178.353 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 83.1 mt -63.78 -35.39 80.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.789 0.328 . . . . 0.0 111.187 178.667 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 173' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -70.0 -37.78 75.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.193 173.817 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -64.94 -36.04 83.11 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.2 -178.453 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 52.3 p -64.99 -21.49 66.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.184 179.89 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 176' ' ' GLN . . . . . . . . . . . . . 93.3 mm-40 -100.74 -25.84 13.99 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.239 -178.581 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 177' ' ' THR . . . . . . . . . . . . . 99.4 m -71.95 -46.02 59.01 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.2 179.143 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 178' ' ' GLU . . . . . . . . . . . . . 94.0 mt-10 -127.42 159.9 33.07 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.181 -177.544 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 179' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -94.91 159.85 14.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.167 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 180' ' ' LEU . . . . . . . . . . . . . 96.2 mt -113.72 155.06 26.26 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.223 179.705 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 181' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -97.86 155.48 37.06 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.139 179.551 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 182' ' ' PRO . . . . . . . . . . . . . 57.7 Cg_endo -69.81 158.07 58.14 Favored 'Trans proline' 0 N--CA 1.457 -0.637 0 C-N-CA 121.674 1.583 . . . . 0.0 111.213 178.932 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 183' ' ' PHE . . . . . . . . . . . . . 20.5 t80 -138.82 89.36 13.1 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.213 178.538 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 184' ' ' PRO . . . . . . . . . . . . . 69.4 Cg_exo -60.47 -32.49 93.78 Favored 'Trans proline' 0 N--CA 1.458 -0.588 0 C-N-CA 121.66 1.573 . . . . 0.0 111.235 -172.621 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 185' ' ' VAL . . . . . . . . . . . . . 87.3 t -61.24 119.77 5.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.148 -176.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 186' ' ' SER . . . . . . . . . . . . . 54.3 m -127.17 29.66 5.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.181 -169.459 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 187' ' ' HIS . . . . . . . . . . . . . 96.1 m-70 -90.05 152.55 21.11 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.198 -178.287 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 188' ' ' ASN . . . . . 0.513 ' N ' ' HD2' ' A' ' 189' ' ' PRO . 98.9 m-20 -64.39 -51.72 58.57 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.196 -177.365 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 189' ' ' PRO . . . . . 0.513 ' HD2' ' N ' ' A' ' 188' ' ' ASN . 60.2 Cg_endo -73.29 -20.2 21.47 Favored 'Trans proline' 0 N--CA 1.457 -0.637 0 C-N-CA 121.715 1.61 . . . . 0.0 111.206 -175.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 190' ' ' SER . . . . . . . . . . . . . 67.2 p -71.05 -20.11 62.41 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.299 177.331 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 191' ' ' PHE . . . . . . . . . . . . . 30.5 m-85 -89.94 -44.52 9.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.196 173.245 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 192' ' ' GLU . . . . . . . . . . . . . 88.3 tt0 -54.97 -42.52 72.49 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.218 179.351 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 193' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -74.93 -18.48 60.39 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.231 -174.52 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 194' ' ' LEU . . . . . . . . . . . . . 90.8 mt -103.63 -17.57 15.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.188 179.329 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 195' ' ' LEU . . . . . . . . . . . . . 23.3 tp -110.06 -60.03 1.85 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.184 -174.841 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 196' ' ' VAL . . . . . . . . . . . . . 68.8 t -73.53 -42.8 55.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.173 -172.944 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 197' ' ' GLU . . . . . . . . . . . . . 95.1 mt-10 -66.13 -29.96 70.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.23 178.22 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 198' ' ' THR . . . . . . . . . . . . . 93.0 m -76.94 -49.62 15.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.204 177.786 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 199' ' ' ILE . . . . . . . . . . . . . 92.8 mt -71.07 -42.08 76.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.138 -174.832 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 200' ' ' TYR . . . . . . . . . . . . . 79.4 m-85 -114.99 44.85 1.71 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.137 -177.247 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 201' ' ' SER . . . . . . . . . . . . . 42.5 t . . . . . 0 C--O 1.2 -1.537 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.241 177.756 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.621 0 N-CA-C 111.193 -0.763 . . . . 0.0 111.193 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 44.1 pt -114.97 15.45 8.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-O 120.789 0.328 . . . . 0.0 111.192 -179.596 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 97.1 mt -66.45 -54.66 23.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.195 177.436 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 88.2 tt0 -75.91 121.29 22.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.227 170.213 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 95.5 mt-10 -108.25 82.21 1.6 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.185 -173.879 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.476 ' HB2' ' HA ' ' A' ' 39' ' ' PHE . 97.0 mttt -69.27 148.64 49.49 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.193 174.465 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -114.21 130.1 56.63 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.178 -168.642 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 93.2 mt -89.65 145.36 25.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.164 167.158 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 1.2 t80 -120.1 91.29 3.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.173 171.778 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 85.4 t -97.24 129.74 46.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.166 -174.061 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 47.1 p -117.45 160.01 21.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.236 173.137 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 77.3 m -127.38 154.58 44.82 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.188 -175.878 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -132.59 -158.68 8.98 Favored Glycine 0 CA--C 1.523 0.589 0 N-CA-C 111.198 -0.761 . . . . 0.0 111.198 -179.593 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -94.78 -36.14 11.81 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.768 0.318 . . . . 0.0 111.198 -173.82 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 94.1 m -59.91 -54.79 41.96 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.233 -172.155 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 67.5 t -91.83 128.97 43.86 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.169 177.751 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 83.4 Cg_exo -52.53 137.14 57.87 Favored 'Trans proline' 0 N--CA 1.459 -0.547 0 C-N-CA 121.69 1.593 . . . . 0.0 111.139 -178.807 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' PHE . . . . . 0.553 ' HB3' ' HD3' ' A' ' 19' ' ' PRO . 86.4 t80 -61.87 -44.4 90.28 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.218 -178.311 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.553 ' HD3' ' HB3' ' A' ' 18' ' ' PHE . 71.7 Cg_exo -53.55 -39.85 81.14 Favored 'Trans proline' 0 N--CA 1.458 -0.577 0 C-N-CA 121.68 1.587 . . . . 0.0 111.167 178.894 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -72.41 -40.26 67.31 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.182 -179.645 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 80.8 mt -59.33 -42.95 92.65 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.174 179.671 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 72.4 t -75.7 -38.27 37.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.19 -179.818 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 45.7 t -59.65 -39.91 85.95 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.27 179.812 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 60.8 m -68.5 -45.03 73.39 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.167 -176.088 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 33.7 m -73.88 -19.09 17.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.212 -178.144 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 69.7 mt -105.09 15.55 27.38 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.205 176.21 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 54.6 p -73.93 154.22 39.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.183 -178.415 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 99.8 m-20 -65.6 -35.17 80.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.144 178.85 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 78.0 mm-40 -74.3 -42.7 59.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.183 -176.182 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 84.1 t80 -68.35 -47.5 67.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.176 -179.636 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 95.0 m -66.38 -30.37 70.74 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.167 -177.468 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 66.9 tt0 -53.08 -50.23 64.8 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.198 -178.411 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 94.8 mt-10 -85.94 -27.86 24.66 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.252 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.492 ' HG ' ' HB2' ' A' ' 39' ' ' PHE . 47.8 tp -54.93 -45.02 74.75 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.159 -179.224 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 41.5 pt -78.36 -10.67 13.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.222 -177.727 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 65.0 mt-30 -91.04 -19.74 22.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.211 174.823 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 42.5 m-85 -78.7 -25.9 44.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.167 172.024 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 117.78 14.66 6.64 Favored Glycine 0 CA--C 1.523 0.54 0 N-CA-C 111.217 -0.753 . . . . 0.0 111.217 175.775 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.492 ' HB2' ' HG ' ' A' ' 34' ' ' LEU . 71.5 m-85 -93.31 129.77 39.29 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.759 0.314 . . . . 0.0 111.199 -179.678 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.524 HG12 ' O ' ' A' ' 40' ' ' VAL . 70.3 t -136.94 -10.08 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.2 -177.685 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 78.0 mtm180 -115.13 132.43 56.61 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.212 177.018 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 40.5 tp -128.72 109.73 11.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.224 179.506 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 4.5 mp -100.58 117.4 45.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.185 -179.027 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 69.8 mt -116.69 126.0 73.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.173 -174.627 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 12.1 tp-100 -86.91 120.04 27.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.216 176.259 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' PHE . . . . . 0.408 ' CE1' ' HA3' ' A' ' 95' ' ' GLY . 54.0 p90 -159.29 169.35 24.24 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.161 176.245 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -75.7 -176.54 40.11 Favored Glycine 0 CA--C 1.524 0.594 0 N-CA-C 111.194 -0.762 . . . . 0.0 111.194 -171.215 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 79.1 ttt180 -84.96 -70.02 0.61 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.739 0.304 . . . . 0.0 111.267 -174.062 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 72.9 m-80 -112.31 14.65 20.47 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.176 -176.965 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 82.1 m-85 -119.65 -5.05 10.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.17 -176.596 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 13.1 m -136.19 9.95 3.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.225 -176.882 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 75.2 m -72.75 70.01 0.94 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.176 177.699 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 74.7 mm-40 -97.46 3.07 50.92 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.228 179.51 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 65.6 m-85 -75.04 -13.02 60.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.22 -177.134 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 25.2 pt-20 -72.69 -9.63 58.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.177 171.199 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 98.3 m-70 -116.72 -13.76 10.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.213 177.012 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 89.2 mt -112.01 -21.41 11.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.205 -174.026 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 95.6 t -115.39 -52.83 4.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.204 177.513 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 33.4 tt0 -62.15 -43.06 99.67 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.215 -177.939 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 94.5 mt-10 -74.9 -29.34 60.96 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.198 176.44 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 53.8 tpt85 -63.21 -30.91 71.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.215 175.847 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 110.66 17.63 9.04 Favored Glycine 0 CA--C 1.523 0.534 0 N-CA-C 111.203 -0.759 . . . . 0.0 111.203 176.549 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -94.99 -169.14 36.46 Favored Glycine 0 CA--C 1.523 0.577 0 N-CA-C 111.191 -0.763 . . . . 0.0 111.191 179.094 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 96.2 mm-40 -114.97 169.77 8.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.735 0.302 . . . . 0.0 111.184 177.567 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -162.0 144.8 11.7 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.216 -176.606 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 38.0 tt0 -168.77 144.85 3.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.135 -179.723 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 38.0 t -79.51 136.44 36.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.192 176.162 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 91.4 mm-40 -126.88 151.71 48.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.249 -175.168 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -119.06 105.0 10.98 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.178 172.87 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.409 ' HA ' ' HD3' ' A' ' 71' ' ' PRO . 72.3 mt -112.55 132.48 22.18 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.224 -170.099 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 71' ' ' PRO . . . . . 0.409 ' HD3' ' HA ' ' A' ' 70' ' ' ILE . 53.9 Cg_exo -55.07 127.16 25.12 Favored 'Trans proline' 0 N--CA 1.458 -0.61 0 C-N-CA 121.702 1.601 . . . . 0.0 111.191 177.483 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 92.9 mt -70.32 -40.68 78.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.166 175.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 99.6 m-20 -69.88 -21.92 63.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.216 -173.094 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 98.8 mm-40 -99.97 -39.85 7.94 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.15 -174.555 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 92.4 m-85 -118.04 -40.22 3.0 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.211 -173.291 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 108.47 -4.96 33.08 Favored Glycine 0 CA--C 1.524 0.621 0 N-CA-C 111.179 -0.769 . . . . 0.0 111.179 179.682 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 79.2 m -87.72 157.43 19.07 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.809 0.337 . . . . 0.0 111.145 173.715 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -95.09 -165.24 35.31 Favored Glycine 0 CA--C 1.523 0.583 0 N-CA-C 111.216 -0.753 . . . . 0.0 111.216 -175.495 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 55.1 p-10 -100.5 10.48 41.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.829 0.347 . . . . 0.0 111.225 -178.958 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 58.7 p -117.99 32.28 6.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.216 175.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -72.67 136.78 45.7 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.21 -175.503 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 32.7 mmm-85 -110.02 102.3 11.04 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.263 176.826 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 32.8 tt0 -88.97 134.17 34.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.201 -173.317 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 84' ' ' TYR . . . . . 0.482 ' HB2' ' HB ' ' A' ' 93' ' ' VAL . 40.2 m-85 -132.95 141.41 48.32 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.188 173.721 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 68.8 t -116.95 114.06 44.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.208 -173.473 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 87.2 mt -129.49 172.27 11.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.194 177.924 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 95.6 mmm 60.36 30.11 19.55 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.173 177.916 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 96.4 m-20 64.91 32.08 10.96 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.203 178.532 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 95.05 -2.33 65.91 Favored Glycine 0 CA--C 1.522 0.53 0 N-CA-C 111.218 -0.753 . . . . 0.0 111.218 177.112 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 99.7 mttt -81.28 -16.95 51.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.777 0.322 . . . . 0.0 111.203 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 62.1 tp -118.37 109.28 16.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.175 174.386 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 96.5 mttt -101.18 102.61 13.56 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.249 178.874 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 93' ' ' VAL . . . . . 0.482 ' HB ' ' HB2' ' A' ' 84' ' ' TYR . 60.2 t -97.55 128.45 48.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.177 -175.806 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 71.8 mt -124.52 121.58 61.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.179 177.405 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 95' ' ' GLY . . . . . 0.408 ' HA3' ' CE1' ' A' ' 46' ' ' PHE . . . -100.16 146.97 17.95 Favored Glycine 0 CA--C 1.524 0.622 0 N-CA-C 111.172 -0.771 . . . . 0.0 111.172 -179.039 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 80.3 m-85 -133.25 148.42 51.98 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.825 0.345 . . . . 0.0 111.202 173.457 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 64.4 t0 -111.21 80.44 1.31 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.204 163.283 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 7.9 m-30 -110.08 139.73 44.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.135 -168.549 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 86.8 p -79.52 170.0 17.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.177 165.954 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 97.6 m -47.42 -45.07 25.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.227 -174.618 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -66.19 -32.48 73.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.199 -178.397 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 102' ' ' MET . . . . . 0.407 ' O ' HG12 ' A' ' 105' ' ' ILE . 96.7 mmm -85.73 -12.36 51.3 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.195 -177.789 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 80.4 mt-30 -84.38 -14.9 48.18 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.223 178.726 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 87.2 p -68.25 -19.4 64.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.235 -176.892 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 105' ' ' ILE . . . . . 0.407 HG12 ' O ' ' A' ' 102' ' ' MET . 48.0 pt -94.19 -7.99 9.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.233 -177.476 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 46.3 pt -115.6 0.02 8.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.258 175.131 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 70.5 mtt180 -67.92 -42.51 80.95 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.238 167.825 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 57.4 p-10 -89.43 4.82 47.83 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.223 178.564 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 109' ' ' TYR . . . . . . . . . . . . . 41.5 t80 -101.55 40.0 1.37 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.252 175.128 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 87.3 p -145.78 155.04 42.68 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.148 -171.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 55.4 m-20 -120.0 -35.03 3.57 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.215 172.011 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 53.3 tp -131.62 119.93 22.13 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.172 175.764 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 96.9 t -96.39 130.83 44.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.184 -176.425 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 76.2 mt -121.6 102.62 12.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.151 179.279 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 63.0 m -109.92 135.82 50.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.12 -166.052 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 65.8 t-80 -69.98 140.04 52.89 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.205 173.161 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 117' ' ' ALA . . . . . 0.43 ' HA ' HD11 ' A' ' 122' ' ' ILE . . . -54.15 133.43 44.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.197 178.736 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 85.06 37.51 9.96 Favored Glycine 0 CA--C 1.524 0.611 0 N-CA-C 111.161 -0.776 . . . . 0.0 111.161 174.262 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 70.5 p -126.49 169.79 12.67 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.794 0.331 . . . . 0.0 111.217 175.951 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -84.87 -18.99 60.3 Favored Glycine 0 CA--C 1.524 0.6 0 N-CA-C 111.189 -0.764 . . . . 0.0 111.189 175.687 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 85.0 p -65.88 -24.8 66.93 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.77 0.319 . . . . 0.0 111.138 178.744 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 122' ' ' ILE . . . . . 0.43 HD11 ' HA ' ' A' ' 117' ' ' ALA . 83.8 mt -60.01 -40.02 81.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.239 171.539 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 79.4 mt -85.93 -19.08 31.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.188 -177.216 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 80.3 m-20 -67.71 -48.9 65.22 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.224 177.386 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 8.5 t -57.96 -34.2 69.67 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.154 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 97.4 mt -63.19 -43.26 98.7 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.227 174.705 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 89.9 mtm180 -72.91 -21.35 60.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.133 178.339 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 90.9 mt -84.78 -14.58 47.73 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.177 176.692 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 55.5 t30 60.83 36.39 19.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.19 -173.216 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -113.97 148.39 39.84 Favored Pre-proline 0 C--N 1.328 -0.364 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.152 -178.269 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 75.8 Cg_exo -53.17 138.7 63.4 Favored 'Trans proline' 0 N--CA 1.458 -0.576 0 C-N-CA 121.675 1.583 . . . . 0.0 111.174 179.663 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 132' ' ' LEU . . . . . 0.422 ' HB3' HG22 ' A' ' 158' ' ' VAL . 61.2 tp -132.13 120.07 21.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.194 -172.532 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 81.5 mt -97.69 120.11 46.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.195 166.709 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 88.6 t -99.58 113.23 34.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.161 -178.549 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 135' ' ' CYS . . . . . . . . . . . . . 87.5 m -86.3 105.0 16.35 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.163 -179.182 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 34.3 m -100.09 172.66 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.251 -175.66 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 54.6 t-20 -51.7 126.2 17.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.213 -178.814 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 55.3 p-10 -80.25 1.0 30.24 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.19 -172.946 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 82.4 p -80.41 -12.02 59.62 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.211 171.892 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 96.0 mt -72.97 141.34 47.77 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.25 178.463 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 141' ' ' MET . . . . . . . . . . . . . 99.0 mtp -74.96 168.67 19.49 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.202 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 99.5 m-20 -56.54 -40.09 74.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.177 178.344 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 99.5 m-20 -68.5 -35.33 77.34 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.286 177.696 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 144' ' ' HIS . . . . . . . . . . . . . 50.5 m170 -65.4 -44.27 88.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.211 177.847 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 145' ' ' GLN . . . . . . . . . . . . . 74.0 mt-30 -70.91 -36.05 72.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.222 -177.959 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 146' ' ' GLN . . . . . . . . . . . . . 73.7 tp60 -69.75 -39.87 76.47 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.167 177.497 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 147' ' ' GLN . . . . . . . . . . . . . 72.2 tp60 -61.39 -39.92 92.47 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.183 179.497 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 148' ' ' ILE . . . . . . . . . . . . . 97.3 mt -66.09 -45.05 91.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.107 174.809 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -64.13 -32.95 74.7 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.193 -179.16 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 87.9 m-20 -56.3 -33.51 65.61 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.16 -176.358 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 151' ' ' LYS . . . . . . . . . . . . . 44.2 mmtt -84.73 -30.0 25.08 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.22 177.644 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 152' ' ' PHE . . . . . . . . . . . . . 6.9 m-30 -69.99 -22.02 63.17 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.192 175.374 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 153' ' ' VAL . . . . . . . . . . . . . 43.5 t -63.33 -30.1 48.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.261 173.863 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -65.71 -21.31 66.52 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.205 176.91 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 155' ' ' LEU . . . . . . . . . . . . . 50.8 mt -75.02 -28.76 60.61 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.138 178.685 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . 109.23 -26.03 16.34 Favored Glycine 0 CA--C 1.522 0.523 0 N-CA-C 111.231 -0.748 . . . . 0.0 111.231 167.522 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 157' ' ' TYR . . . . . . . . . . . . . 37.9 p90 -149.9 24.75 0.84 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.772 0.32 . . . . 0.0 111.211 -171.233 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 158' ' ' VAL . . . . . 0.422 HG22 ' HB3' ' A' ' 132' ' ' LEU . 45.5 t -126.46 129.91 71.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.204 -176.358 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 159' ' ' TRP . . . . . . . . . . . . . 90.8 m95 -130.51 140.36 50.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.207 178.13 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 160' ' ' SER . . . . . . . . . . . . . 28.8 t -104.77 142.06 35.39 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.166 178.706 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 161' ' ' CYS . . . . . . . . . . . . . 29.7 p -164.99 165.06 20.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.182 175.396 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -75.57 137.87 70.7 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.182 170.857 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 163' ' ' PRO . . . . . . . . . . . . . 94.7 Cg_endo -76.4 69.93 6.41 Favored 'Trans proline' 0 N--CA 1.458 -0.597 0 C-N-CA 121.708 1.605 . . . . 0.0 111.223 178.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 164' ' ' THR . . . . . . . . . . . . . 24.3 p -120.62 -174.18 2.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.203 179.844 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 165' ' ' GLU . . . . . . . . . . . . . 25.2 pt-20 -70.01 -9.94 56.95 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.216 177.064 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 166' ' ' THR . . . . . . . . . . . . . 74.0 p -114.79 -42.15 3.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.238 -178.519 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 167' ' ' GLY . . . . . . . . . . . . . . . -76.31 -40.66 28.04 Favored Glycine 0 CA--C 1.524 0.594 0 N-CA-C 111.226 -0.75 . . . . 0.0 111.226 -173.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 168' ' ' LEU . . . . . . . . . . . . . 62.6 tp -64.03 -50.49 68.24 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.799 0.333 . . . . 0.0 111.203 -178.049 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 10.1 tp -66.55 -29.67 47.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.293 179.684 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 170' ' ' ALA . . . . . . . . . . . . . . . -65.41 -37.23 86.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.175 173.662 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 171' ' ' GLY . . . . . . . . . . . . . . . -65.01 -43.4 95.92 Favored Glycine 0 CA--C 1.523 0.585 0 N-CA-C 111.219 -0.752 . . . . 0.0 111.219 175.063 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 56.8 tp -60.38 -42.83 96.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.79 0.328 . . . . 0.0 111.186 176.434 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 173' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -62.14 -41.21 98.04 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.187 173.92 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -70.74 -25.04 62.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.163 -175.399 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 54.6 p -90.0 -34.3 16.04 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.183 -179.102 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 176' ' ' GLN . . . . . . . . . . . . . 93.7 mm-40 -102.11 -52.28 3.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.197 -171.539 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 177' ' ' THR . . . . . . . . . . . . . 85.4 m -73.99 -45.2 51.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.194 -176.712 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 178' ' ' GLU . . . . . . . . . . . . . 78.5 mm-40 -80.03 134.02 36.19 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.176 175.515 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 179' ' ' LYS . . . . . . . . . . . . . 88.6 tttt -67.11 130.09 42.0 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.208 -175.75 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 180' ' ' LEU . . . . . . . . . . . . . 58.0 mt -102.21 154.99 18.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.22 174.518 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 181' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -130.88 148.55 70.65 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.258 178.53 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 182' ' ' PRO . . . . . . . . . . . . . 60.5 Cg_endo -72.48 153.74 55.28 Favored 'Trans proline' 0 N--CA 1.458 -0.57 0 C-N-CA 121.699 1.599 . . . . 0.0 111.223 -179.289 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 183' ' ' PHE . . . . . . . . . . . . . 12.9 t80 -60.3 120.68 53.71 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.212 179.021 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 184' ' ' PRO . . . . . . . . . . . . . 96.2 Cg_exo -55.17 -38.5 93.55 Favored 'Trans proline' 0 N--CA 1.459 -0.556 0 C-N-CA 121.7 1.6 . . . . 0.0 111.228 -170.878 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 185' ' ' VAL . . . . . . . . . . . . . 93.2 t -70.47 117.16 13.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.163 -174.138 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 186' ' ' SER . . . . . . . . . . . . . 94.8 p -91.96 -9.11 44.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.199 -176.857 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 187' ' ' HIS . . . . . . . . . . . . . 96.7 m-70 -67.64 138.81 56.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.234 179.762 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 188' ' ' ASN . . . . . 0.505 ' HB2' ' HD3' ' A' ' 189' ' ' PRO . 98.4 m-20 -68.91 -49.39 26.57 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.216 -170.119 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 189' ' ' PRO . . . . . 0.505 ' HD3' ' HB2' ' A' ' 188' ' ' ASN . 93.9 Cg_endo -80.22 -19.32 9.32 Favored 'Trans proline' 0 N--CA 1.458 -0.56 0 C-N-CA 121.677 1.585 . . . . 0.0 111.199 -173.787 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 190' ' ' SER . . . . . . . . . . . . . 53.7 m -90.16 -29.52 18.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.161 177.143 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 191' ' ' PHE . . . . . . . . . . . . . 89.1 t80 -55.1 -58.61 6.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.207 176.438 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 192' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -67.22 -46.45 73.78 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.244 -178.39 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 193' ' ' ARG . . . . . . . . . . . . . 79.4 ttt180 -56.32 -58.22 8.9 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.191 -176.065 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 194' ' ' LEU . . . . . . . . . . . . . 97.9 mt -64.42 -35.13 79.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.219 -171.368 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 195' ' ' LEU . . . . . . . . . . . . . 80.2 mt -62.9 -44.91 94.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.257 177.371 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 196' ' ' VAL . . . . . . . . . . . . . 70.2 t -68.87 -42.66 82.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.194 -179.093 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 197' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -67.76 -39.52 84.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.168 -177.565 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 198' ' ' THR . . . . . . . . . . . . . 64.3 m -70.27 -46.32 64.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.241 -177.794 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 199' ' ' ILE . . . . . . . . . . . . . 13.0 tt -69.98 -24.4 26.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.162 -179.489 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 200' ' ' TYR . . . . . . . . . . . . . 92.8 t80 -69.32 -50.04 50.17 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.193 173.405 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 201' ' ' SER . . . . . . . . . . . . . 43.0 t . . . . . 0 C--O 1.199 -1.553 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.186 179.281 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.539 0 N-CA-C 111.202 -0.759 . . . . 0.0 111.202 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 45.3 pt -114.95 13.96 8.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.769 0.318 . . . . 0.0 111.23 179.634 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 96.6 mt -104.51 -54.99 6.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.201 178.694 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 44.6 tt0 -68.27 132.93 47.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.257 175.61 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -61.08 107.4 0.73 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.249 177.638 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 75.3 mmtt -90.43 160.75 15.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.209 -171.283 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -125.73 140.82 52.37 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.243 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 39.4 tp -113.98 119.01 35.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.196 -179.872 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 69.6 t80 -89.87 121.18 31.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.24 177.499 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 73.3 t -120.42 124.65 72.97 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.27 178.66 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.417 ' HA ' ' HB3' ' A' ' 45' ' ' GLN . 77.1 m -93.6 129.31 39.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.209 174.464 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 80.7 m -115.03 113.71 24.43 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.159 170.275 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -91.26 -177.27 43.31 Favored Glycine 0 CA--C 1.524 0.632 0 N-CA-C 111.2 -0.76 . . . . 0.0 111.2 -171.371 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -85.47 52.84 2.56 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.779 0.323 . . . . 0.0 111.176 -174.348 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 37.5 p -129.96 -83.75 0.55 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.197 176.916 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 95.7 t -71.83 128.75 89.1 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.261 -174.454 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 76.0 Cg_exo -50.1 132.47 33.24 Favored 'Trans proline' 0 N--CA 1.458 -0.589 0 C-N-CA 121.757 1.638 . . . . 0.0 111.201 177.505 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' PHE . . . . . 0.605 ' N ' ' CD ' ' A' ' 19' ' ' PRO . 9.8 m-30 -67.56 -38.7 16.14 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.152 -176.896 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.605 ' CD ' ' N ' ' A' ' 18' ' ' PHE . 57.5 Cg_exo -53.4 -22.76 21.97 Favored 'Trans proline' 0 N--CA 1.459 -0.534 0 C-N-CA 121.639 1.559 . . . . 0.0 111.203 174.257 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -97.86 -43.58 7.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.198 174.709 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 67.2 tp -77.46 -59.29 2.84 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.213 -174.483 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 73.7 t -61.63 -32.05 52.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.265 -176.891 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 94.9 p -63.05 -26.58 68.91 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.21 -179.207 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 98.4 m -85.01 -23.55 28.61 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.226 175.66 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 68.8 t -74.15 -29.14 24.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.163 170.673 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 91.7 mt -91.95 -2.38 56.8 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.201 -178.526 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 66.3 p -65.13 157.54 28.36 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.248 -173.209 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 99.6 m-20 -65.43 -39.4 92.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.235 178.141 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -70.46 -39.07 74.5 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.19 -176.268 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 83.5 t80 -59.05 -45.74 90.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.177 176.702 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.402 ' SG ' HD22 ' A' ' 91' ' ' LEU . 74.1 m -85.47 -15.57 42.47 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.147 -176.614 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 65.6 tt0 -61.15 -32.84 72.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.167 172.783 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 78.6 mm-40 -77.21 -37.82 52.62 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.2 174.907 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 78.9 mt -63.5 -37.17 86.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.135 -174.914 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 46.3 pt -71.8 -10.09 13.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.26 179.256 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 64.6 mt-30 -96.12 -5.57 40.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.2 173.585 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 50.4 m-85 -112.36 -6.49 14.03 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.17 175.533 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 89.35 21.85 39.71 Favored Glycine 0 CA--C 1.523 0.549 0 N-CA-C 111.193 -0.763 . . . . 0.0 111.193 175.945 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 34.1 m-85 -97.24 130.93 44.4 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.83 0.347 . . . . 0.0 111.222 179.298 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 87.5 t -124.76 -33.95 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.187 -177.148 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 73.8 mtm-85 -99.94 129.33 46.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.227 -173.509 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 54.6 mt -108.81 138.01 45.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.209 174.792 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 77.3 mt -124.13 106.18 16.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.183 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 92.7 mt -100.42 114.2 38.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.237 -172.14 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' GLN . . . . . 0.417 ' HB3' ' HA ' ' A' ' 11' ' ' THR . 51.2 tt0 -82.27 130.66 35.15 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.207 168.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 85.4 m-85 -102.97 120.42 40.6 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.134 -176.685 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -80.78 -168.37 39.08 Favored Glycine 0 CA--C 1.523 0.581 0 N-CA-C 111.247 -0.741 . . . . 0.0 111.247 179.607 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' ARG . . . . . 0.568 ' O ' ' HB2' ' A' ' 49' ' ' ASN . 99.7 mtt180 -82.59 162.69 21.84 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.788 0.327 . . . . 0.0 111.168 -175.133 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' ASN . . . . . 0.568 ' HB2' ' O ' ' A' ' 48' ' ' ARG . 94.9 m-20 76.19 0.32 3.24 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.235 178.817 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 92.9 m-85 -137.24 146.4 44.73 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.252 178.727 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 90.1 p -79.97 159.77 26.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.258 -179.424 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 55.0 m -85.22 55.38 3.47 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.228 178.683 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 75.7 tt0 -160.12 141.66 12.61 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.204 -175.672 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 45.8 p90 -143.09 37.76 1.41 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.228 176.395 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 86.4 tt0 -55.85 -35.54 66.54 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.167 -178.069 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 83.5 t60 -54.16 -46.11 72.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.19 -179.748 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 94.6 mt -65.57 -37.23 86.08 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.179 -175.876 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 56.1 t -72.97 -36.69 52.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.219 178.7 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 72.7 tp60 -64.94 -36.93 85.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.228 175.589 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 75.4 mm-40 -71.07 -33.08 69.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.229 176.038 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 51.7 tpt85 -75.17 -24.99 57.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.208 176.27 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 90.11 28.51 17.58 Favored Glycine 0 CA--C 1.524 0.625 0 N-CA-C 111.125 -0.79 . . . . 0.0 111.125 175.7 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -98.25 -167.16 31.44 Favored Glycine 0 CA--C 1.523 0.576 0 N-CA-C 111.173 -0.771 . . . . 0.0 111.173 -179.343 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 95.2 mm-40 -120.01 179.16 4.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.76 0.314 . . . . 0.0 111.206 179.007 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -167.7 141.31 3.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.251 -178.663 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -146.34 128.37 15.55 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.181 178.111 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 66.7 m -69.86 143.11 52.93 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.197 178.807 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 65.4 tt0 -160.08 134.95 7.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.249 -175.701 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -71.87 75.55 0.89 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.154 177.694 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 43.5 mm -62.07 126.5 87.64 Favored Pre-proline 0 C--N 1.328 -0.366 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.231 -177.374 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 79.9 Cg_exo -54.98 130.28 39.9 Favored 'Trans proline' 0 N--CA 1.458 -0.593 0 C-N-CA 121.668 1.579 . . . . 0.0 111.214 -175.916 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 16.0 tt -75.02 -20.01 16.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.197 171.552 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 68.0 m-20 -83.45 -35.56 24.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.203 -177.717 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 64.6 tt0 -86.06 -59.89 2.17 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.187 178.323 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 95.4 m-85 -91.14 -54.9 3.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.187 -176.439 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 119.2 26.69 2.4 Favored Glycine 0 CA--C 1.524 0.6 0 N-CA-C 111.162 -0.775 . . . . 0.0 111.162 -177.495 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 79.6 m -109.87 169.56 8.64 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.792 0.329 . . . . 0.0 111.185 178.805 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -94.89 -166.11 35.81 Favored Glycine 0 CA--C 1.523 0.591 0 N-CA-C 111.185 -0.766 . . . . 0.0 111.185 -177.831 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 58.6 p-10 -91.51 9.57 31.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.815 0.341 . . . . 0.0 111.212 -179.594 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 77.4 p -110.65 10.67 22.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.149 175.209 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -71.06 154.96 41.35 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.233 -175.535 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 82' ' ' ARG . . . . . 0.447 ' HD2' ' CZ ' ' A' ' 84' ' ' TYR . 40.8 ttm180 -137.94 137.74 38.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.221 178.321 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 63.9 tt0 -95.88 116.05 28.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.208 178.39 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 84' ' ' TYR . . . . . 0.447 ' CZ ' ' HD2' ' A' ' 82' ' ' ARG . 96.5 m-85 -97.72 138.24 35.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.132 177.108 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 74.8 t -116.74 107.99 23.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.195 -169.816 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.418 ' HB2' HD23 ' A' ' 91' ' ' LEU . 95.2 mt -121.86 167.75 12.67 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.242 -177.364 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 96.1 mtp 54.98 34.67 22.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.257 179.74 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 96.3 m-20 63.84 33.53 12.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.211 175.873 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 96.96 -4.07 62.77 Favored Glycine 0 CA--C 1.522 0.508 0 N-CA-C 111.181 -0.768 . . . . 0.0 111.181 175.58 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -80.14 -19.07 48.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.763 0.316 . . . . 0.0 111.205 -179.592 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.418 HD23 ' HB2' ' A' ' 86' ' ' LEU . 57.2 tp -121.27 121.76 38.42 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.167 177.082 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -114.5 108.44 16.86 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.178 -179.236 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 44.3 t -111.47 120.51 62.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.193 -174.109 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 87.3 mt -101.38 123.12 54.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.196 -176.75 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -106.25 147.75 16.3 Favored Glycine 0 CA--C 1.522 0.512 0 N-CA-C 111.237 -0.745 . . . . 0.0 111.237 171.12 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 29.6 p90 -163.73 172.1 14.66 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.815 0.341 . . . . 0.0 111.202 -170.221 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 14.0 m-20 -96.6 86.47 4.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.197 175.377 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 71.5 t80 -49.07 126.5 12.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.214 -178.498 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 56.0 m -130.0 169.63 15.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.239 -175.328 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 99.8 m -53.84 -44.96 70.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.211 -178.006 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -63.37 -32.85 74.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.163 -178.544 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 60.2 mtt -75.21 -24.99 57.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.204 -175.077 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 66.1 tt0 -53.46 -40.48 65.3 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.223 179.826 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 92.0 p -93.15 -2.77 54.99 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.181 -174.765 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 95.6 mt -112.09 -67.86 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.185 -173.943 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 13.5 tt -70.77 -23.42 23.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.224 -168.269 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -72.49 -41.36 66.07 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.19 176.272 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 38.6 t70 -66.91 -36.67 82.79 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.194 173.804 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 109' ' ' TYR . . . . . . . . . . . . . 81.0 t80 -56.09 -42.37 76.64 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.192 178.648 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 60.3 p -70.9 167.17 19.6 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.186 -176.683 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 54.4 m-20 -106.18 -37.69 6.5 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.181 -178.376 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 92.0 mt -112.8 146.46 38.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.212 172.126 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 95.2 t -123.86 122.13 63.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.254 177.42 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 114' ' ' ILE . . . . . 0.42 HG12 ' HB ' ' A' ' 133' ' ' ILE . 77.6 mt -114.2 117.36 55.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.272 175.191 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 60.7 p -91.88 158.3 16.37 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.191 177.081 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 14.6 t-160 -129.6 119.88 24.35 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.231 -177.467 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . 54.82 45.31 26.88 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.223 176.241 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 163.41 -176.27 39.58 Favored Glycine 0 CA--C 1.524 0.637 0 N-CA-C 111.171 -0.772 . . . . 0.0 111.171 178.268 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 45.7 p -126.78 25.09 6.43 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.798 0.332 . . . . 0.0 111.181 179.103 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -64.3 -45.61 93.0 Favored Glycine 0 CA--C 1.524 0.6 0 N-CA-C 111.183 -0.767 . . . . 0.0 111.183 -178.628 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 66.7 m -75.18 -17.51 60.36 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.817 0.342 . . . . 0.0 111.259 177.187 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 122' ' ' ILE . . . . . 0.471 HG13 HG22 ' A' ' 134' ' ' VAL . 48.9 mm -79.12 -41.51 23.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.141 -176.642 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 42.2 tp -63.46 -36.43 83.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.281 178.863 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 94.3 m-20 -70.32 -50.37 39.92 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.179 173.667 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 33.3 t -55.83 -35.43 66.37 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.218 178.704 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 64.2 tp -56.55 -45.75 81.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.29 172.742 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 90.6 mtm180 -74.71 -20.5 59.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.241 178.696 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 94.5 mt -88.47 -8.03 55.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.232 178.638 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 78.9 m-20 64.86 35.09 8.72 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.208 -179.34 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 39.1 mmtm -111.24 149.8 41.09 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.229 177.357 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_exo -56.99 147.38 74.85 Favored 'Trans proline' 0 N--CA 1.458 -0.594 0 C-N-CA 121.71 1.607 . . . . 0.0 111.216 -175.208 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 33.4 mt -111.89 97.51 6.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.177 -167.782 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 133' ' ' ILE . . . . . 0.42 ' HB ' HG12 ' A' ' 114' ' ' ILE . 89.4 mt -101.81 125.61 55.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.215 176.805 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 134' ' ' VAL . . . . . 0.471 HG22 HG13 ' A' ' 122' ' ' ILE . 93.9 t -118.61 106.82 20.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.166 -174.714 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 135' ' ' CYS . . . . . . . . . . . . . 50.5 t -99.91 112.65 24.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.223 178.552 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 46.6 t -140.22 130.81 29.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.179 -179.033 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 11.4 t-20 -70.34 167.51 17.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.167 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 98.8 m-20 -69.74 -34.97 74.56 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.201 -179.656 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 96.9 p -81.38 -15.45 55.2 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.162 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 94.5 mt -97.15 -27.73 14.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.193 -178.717 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 141' ' ' MET . . . . . 0.402 ' HG2' ' HG3' ' A' ' 146' ' ' GLN . 54.8 ttm -75.58 125.34 28.85 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.228 -174.754 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 18.5 t0 -79.84 169.95 17.19 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.24 -178.156 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 99.4 m-20 -57.54 -49.92 74.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.183 -175.778 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 144' ' ' HIS . . . . . . . . . . . . . 85.9 t60 -60.47 -41.81 94.96 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.182 176.284 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 145' ' ' GLN . . . . . . . . . . . . . 91.3 mt-30 -65.93 -30.47 71.06 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.199 -178.17 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 146' ' ' GLN . . . . . 0.402 ' HG3' ' HG2' ' A' ' 141' ' ' MET . 74.6 mt-30 -72.78 -35.78 67.47 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.204 176.467 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 147' ' ' GLN . . . . . . . . . . . . . 88.2 mt-30 -66.89 -37.96 85.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.201 178.871 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 148' ' ' ILE . . . . . . . . . . . . . 38.3 pt -88.8 -14.7 9.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.219 -178.578 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -65.06 -34.79 79.27 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.201 170.94 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 99.8 m-20 -66.13 -34.84 78.97 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.186 172.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 151' ' ' LYS . . . . . . . . . . . . . 96.2 mttt -69.96 -36.28 75.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.271 176.804 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 152' ' ' PHE . . . . . . . . . . . . . 19.9 m-30 -59.91 -29.17 68.18 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.172 -178.137 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 153' ' ' VAL . . . . . . . . . . . . . 74.6 t -53.83 -40.06 42.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.22 -177.329 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 95.0 mt-10 -120.0 -4.84 10.08 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.205 -172.475 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 155' ' ' LEU . . . . . . . . . . . . . 52.2 tp -55.45 -53.76 52.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.256 -176.939 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . 105.13 -30.73 9.48 Favored Glycine 0 CA--C 1.524 0.636 0 N-CA-C 111.203 -0.759 . . . . 0.0 111.203 175.54 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 157' ' ' TYR . . . . . . . . . . . . . 28.5 m-85 -87.62 -53.04 5.0 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.782 0.325 . . . . 0.0 111.192 176.942 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 158' ' ' VAL . . . . . . . . . . . . . 50.0 t -108.75 134.91 49.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.197 -178.934 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 159' ' ' TRP . . . . . . . . . . . . . 13.4 m-90 -118.87 132.34 56.1 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.16 -178.382 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 160' ' ' SER . . . . . . . . . . . . . 30.6 t -85.81 126.58 34.13 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.218 178.574 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 161' ' ' CYS . . . . . . . . . . . . . 34.0 m -133.34 170.19 15.83 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.197 179.738 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -119.58 149.0 47.16 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.234 178.673 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 163' ' ' PRO . . . . . . . . . . . . . 86.3 Cg_endo -78.52 62.85 8.35 Favored 'Trans proline' 0 N--CA 1.458 -0.601 0 C-N-CA 121.719 1.613 . . . . 0.0 111.208 -179.498 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 164' ' ' THR . . . . . . . . . . . . . 10.6 p -133.89 -179.99 5.89 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.223 179.149 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 165' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -64.37 -17.23 63.54 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.146 177.798 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 166' ' ' THR . . . . . . . . . . . . . 74.9 p -114.63 -32.11 5.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.158 -171.321 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 167' ' ' GLY . . . . . . . . . . . . . . . -72.92 -38.13 56.3 Favored Glycine 0 CA--C 1.524 0.619 0 N-CA-C 111.181 -0.767 . . . . 0.0 111.181 -179.273 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 168' ' ' LEU . . . . . . . . . . . . . 91.5 mt -65.57 -36.54 84.07 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.78 0.324 . . . . 0.0 111.179 178.187 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 94.6 mt -71.62 -39.71 70.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.186 173.703 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 170' ' ' ALA . . . . . . . . . . . . . . . -57.26 -34.89 69.08 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.192 178.808 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 171' ' ' GLY . . . . . . . . . . . . . . . -63.35 -43.19 98.73 Favored Glycine 0 CA--C 1.523 0.567 0 N-CA-C 111.201 -0.76 . . . . 0.0 111.201 178.167 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 97.7 mt -64.88 -37.78 88.77 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.807 0.336 . . . . 0.0 111.172 177.855 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 173' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -78.82 -27.35 44.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.219 -179.658 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -65.63 -34.82 79.12 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.24 -179.798 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 59.7 p -64.98 -24.95 67.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.178 177.485 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 176' ' ' GLN . . . . . . . . . . . . . 66.5 tt0 -85.77 -41.9 14.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.221 178.254 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 177' ' ' THR . . . . . . . . . . . . . 89.1 m -65.89 -58.44 5.57 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.288 -177.955 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 178' ' ' GLU . . . . . . . . . . . . . 76.1 mm-40 -110.06 89.94 3.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.148 176.022 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 179' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -71.84 148.8 45.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.231 -172.237 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 180' ' ' LEU . . . . . 0.484 ' C ' HD23 ' A' ' 180' ' ' LEU . 8.2 tt -72.08 99.94 2.41 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.203 177.358 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 181' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -115.17 152.08 46.37 Favored Pre-proline 0 C--N 1.327 -0.386 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.222 -174.072 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 182' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_endo -67.75 145.42 69.15 Favored 'Trans proline' 0 N--CA 1.458 -0.562 0 C-N-CA 121.694 1.596 . . . . 0.0 111.256 178.625 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 183' ' ' PHE . . . . . . . . . . . . . 14.5 m-30 -105.2 156.31 36.4 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.224 -179.025 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 184' ' ' PRO . . . . . . . . . . . . . 50.4 Cg_exo -54.79 159.92 8.35 Favored 'Trans proline' 0 N--CA 1.458 -0.599 0 C-N-CA 121.698 1.599 . . . . 0.0 111.218 176.428 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 185' ' ' VAL . . . . . . . . . . . . . 33.6 m -66.49 -18.49 24.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.154 -176.723 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 186' ' ' SER . . . . . . . . . . . . . 98.8 p -84.83 -15.07 46.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.158 175.287 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 187' ' ' HIS . . . . . . . . . . . . . 80.9 m80 -110.78 -3.61 15.67 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.172 -178.049 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 188' ' ' ASN . . . . . 0.442 ' HB2' ' HD3' ' A' ' 189' ' ' PRO . 90.9 m-20 -69.12 -50.85 19.53 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.191 176.171 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 189' ' ' PRO . . . . . 0.442 ' HD3' ' HB2' ' A' ' 188' ' ' ASN . 85.9 Cg_endo -77.32 -19.73 13.12 Favored 'Trans proline' 0 N--CA 1.459 -0.551 0 C-N-CA 121.769 1.646 . . . . 0.0 111.168 179.148 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 190' ' ' SER . . . . . . . . . . . . . 49.5 m -76.14 -37.54 57.89 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.12 172.174 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 191' ' ' PHE . . . . . . . . . . . . . 63.3 t80 -70.26 -35.86 74.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.238 173.823 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 192' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -52.71 -38.53 60.87 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.2 172.915 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 193' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -67.18 -28.63 68.26 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.2 176.693 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 194' ' ' LEU . . . . . . . . . . . . . 96.3 mt -79.04 -29.5 43.59 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.192 177.266 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 195' ' ' LEU . . . . . . . . . . . . . 80.8 mt -65.19 -43.01 93.01 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.246 178.408 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 196' ' ' VAL . . . . . 0.402 ' HA ' ' HB3' ' A' ' 200' ' ' TYR . 31.7 m -79.22 -13.6 13.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.198 179.239 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 197' ' ' GLU . . . . . . . . . . . . . 77.0 tt0 -86.42 -44.88 11.67 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.198 176.959 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 198' ' ' THR . . . . . . . . . . . . . 80.4 p -99.06 -28.76 13.24 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.189 -165.424 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 199' ' ' ILE . . . . . . . . . . . . . 85.5 mt -108.48 -60.66 2.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.118 -174.056 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 200' ' ' TYR . . . . . 0.471 ' O ' ' O ' ' A' ' 201' ' ' SER . 85.9 t80 -60.11 -50.05 75.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.182 -174.789 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 201' ' ' SER . . . . . 0.471 ' O ' ' O ' ' A' ' 200' ' ' TYR . 57.1 m . . . . . 0 C--O 1.2 -1.551 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.191 178.457 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.601 0 N-CA-C 111.223 -0.751 . . . . 0.0 111.223 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' ILE . . . . . 0.485 HG13 HG23 ' A' ' 3' ' ' ILE . 41.9 pt -125.02 -0.52 5.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.777 0.322 . . . . 0.0 111.197 -175.508 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.485 HG23 HG13 ' A' ' 2' ' ' ILE . 43.3 pt -128.28 6.5 3.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.154 177.813 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 52.2 mt-10 -83.01 -24.08 33.01 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.151 -178.203 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 72.5 mm-40 -119.92 175.3 5.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.218 -178.958 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 36.4 tptt -50.26 109.83 0.34 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.171 -177.651 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -116.99 126.05 52.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.209 -171.577 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 52.9 tp -99.36 121.84 41.67 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.169 172.81 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 73.6 t80 -99.63 120.06 39.08 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.164 177.753 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 88.7 t -113.62 127.91 70.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.243 178.002 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 10.1 t -138.57 146.56 41.97 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.187 177.68 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 68.7 m -104.81 155.46 18.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.196 178.885 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -79.29 -177.62 50.19 Favored Glycine 0 CA--C 1.523 0.574 0 N-CA-C 111.258 -0.737 . . . . 0.0 111.258 -179.689 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -89.68 -4.67 57.64 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.799 0.333 . . . . 0.0 111.207 -176.22 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 71.8 p -112.12 5.0 18.32 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.174 -177.136 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 27.1 m -125.3 155.65 71.16 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.236 179.697 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 55.3 Cg_endo -69.46 138.43 38.76 Favored 'Trans proline' 0 N--CA 1.457 -0.641 0 C-N-CA 121.753 1.635 . . . . 0.0 111.251 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' PHE . . . . . 0.495 ' HB2' ' HD3' ' A' ' 19' ' ' PRO . 29.6 m-85 -80.88 -57.18 0.6 Allowed Pre-proline 0 C--N 1.328 -0.334 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.17 -175.577 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.495 ' HD3' ' HB2' ' A' ' 18' ' ' PHE . 37.7 Cg_endo -70.0 -24.98 27.97 Favored 'Trans proline' 0 N--CA 1.458 -0.579 0 C-N-CA 121.688 1.592 . . . . 0.0 111.212 -171.514 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -74.17 -30.86 62.45 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.153 179.197 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 96.9 mt -86.42 -19.73 29.22 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.173 177.394 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 46.5 t -66.58 -40.0 85.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.173 170.365 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 57.0 p -65.93 -20.02 66.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.242 -178.311 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 90.9 m -86.34 -14.91 42.16 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.21 -176.809 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 30.5 m -114.16 -2.93 10.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.233 -178.78 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 84.1 mt -103.71 11.99 35.26 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.17 170.526 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 4.1 t -60.68 144.09 52.81 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.144 175.035 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 87.9 m-20 -60.17 -39.29 85.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.165 175.867 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -76.95 -36.71 56.32 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.205 -178.879 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 55.7 t80 -57.0 -50.16 73.56 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.239 174.383 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 90.3 m -75.21 -30.07 60.51 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.185 -176.753 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 66.5 tt0 -56.67 -50.83 70.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.221 174.132 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -76.76 -29.11 55.98 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.14 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.402 ' HG ' ' HB2' ' A' ' 39' ' ' PHE . 45.2 tp -53.0 -44.28 67.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.213 173.73 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 97.5 mt -60.75 -40.02 83.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.181 172.462 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 88.6 mt-30 -70.26 -16.15 63.0 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.218 -178.757 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 27.6 m-85 -95.88 1.7 53.19 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.171 176.443 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 93.86 10.2 59.03 Favored Glycine 0 CA--C 1.523 0.584 0 N-CA-C 111.17 -0.772 . . . . 0.0 111.17 168.217 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.402 ' HB2' ' HG ' ' A' ' 34' ' ' LEU . 84.2 m-85 -94.23 134.15 37.0 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.785 0.326 . . . . 0.0 111.269 -178.268 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 35.1 m -126.62 -16.12 3.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.164 -176.034 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 11.6 mpt_? -112.87 128.59 56.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.212 171.134 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 63.7 tp -119.15 105.01 10.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.218 175.773 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 91.8 mt -106.14 116.92 50.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.207 -177.637 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 80.6 mt -119.01 121.41 66.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.255 -174.023 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 19.6 tm0? -94.03 138.4 32.16 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.186 178.229 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 44.9 p90 -142.81 155.06 44.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.217 176.757 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -58.8 -61.86 6.9 Favored Glycine 0 CA--C 1.523 0.57 0 N-CA-C 111.271 -0.732 . . . . 0.0 111.271 -168.259 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 40.1 ptt180 -167.98 140.72 3.14 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.81 0.338 . . . . 0.0 111.22 -179.088 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 95.3 m-20 55.32 38.24 30.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.209 166.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 52.0 m-85 -113.67 18.06 17.76 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.094 171.782 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 76.9 p -75.91 -14.13 60.26 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.238 178.908 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 90.8 p -64.96 -25.76 68.01 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.17 177.377 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 77.2 mm-40 -69.17 -29.97 68.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.179 174.187 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 49.1 m-85 -78.92 -32.21 45.54 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.192 176.649 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -66.82 -39.19 87.62 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.159 173.636 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 65.0 m170 -60.01 -43.4 95.25 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.212 174.4 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 39.6 tp -56.7 -60.42 3.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.203 175.218 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 5.2 p -69.02 -26.58 32.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.258 -169.212 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 71.9 tp60 -71.67 -45.91 60.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.167 178.848 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -71.77 -34.83 69.78 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.183 -178.562 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 11.9 mpt_? -80.04 -27.45 39.42 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.144 -179.627 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 85.02 43.15 6.81 Favored Glycine 0 CA--C 1.523 0.565 0 N-CA-C 111.236 -0.746 . . . . 0.0 111.236 175.25 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -103.62 -164.98 25.28 Favored Glycine 0 CA--C 1.524 0.623 0 N-CA-C 111.171 -0.771 . . . . 0.0 111.171 -179.099 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 97.1 mm-40 -110.6 161.96 15.2 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.859 0.361 . . . . 0.0 111.171 176.821 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 32.9 ptt-85 -149.76 150.01 31.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.228 -178.501 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 37.3 tt0 -167.73 137.2 2.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.173 175.177 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 32.9 t -90.98 130.63 36.88 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.241 175.618 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 86.6 mt-30 -130.46 142.25 50.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.222 -179.272 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -71.61 129.94 39.96 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.224 177.831 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 49.3 mm -83.07 123.81 77.14 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.241 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' PRO . . . . . 0.405 ' HB2' ' HB3' ' A' ' 74' ' ' GLN . 74.3 Cg_exo -55.44 130.04 38.4 Favored 'Trans proline' 0 N--CA 1.458 -0.601 0 C-N-CA 121.692 1.595 . . . . 0.0 111.147 -179.561 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 96.8 mt -75.74 -39.14 38.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.221 174.02 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 99.4 m-20 -62.73 -40.34 96.89 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.193 -178.913 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' GLN . . . . . 0.405 ' HB3' ' HB2' ' A' ' 71' ' ' PRO . 64.2 tt0 -85.04 -57.68 3.0 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.246 -178.072 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 77.1 m-85 -89.99 -59.16 2.27 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.187 -175.925 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 120.73 -21.11 8.56 Favored Glycine 0 CA--C 1.524 0.6 0 N-CA-C 111.141 -0.784 . . . . 0.0 111.141 -178.218 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 98.5 m -75.27 142.42 43.33 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.801 0.334 . . . . 0.0 111.229 176.479 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -108.15 5.05 33.77 Favored Glycine 0 CA--C 1.523 0.575 0 N-CA-C 111.186 -0.766 . . . . 0.0 111.186 -173.607 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 44.0 p30 -88.79 -174.68 4.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.788 0.328 . . . . 0.0 111.194 -176.86 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 69.6 p -123.56 74.13 1.24 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.266 -177.745 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -57.01 144.92 32.2 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.205 -174.775 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 77.5 mtp180 -98.73 122.86 42.49 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.193 -174.311 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 28.5 tt0 -90.07 129.98 36.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.143 179.009 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 86.2 m-85 -125.09 142.35 51.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.148 173.964 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 89.3 t -92.92 124.91 45.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.242 177.305 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 31.1 tp -136.68 145.34 44.64 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.153 -176.525 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 82.4 mmm 69.98 32.23 3.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.233 -179.138 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 96.2 m-20 64.98 28.43 12.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.221 177.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 89.57 9.53 66.51 Favored Glycine 0 CA--C 1.523 0.556 0 N-CA-C 111.183 -0.767 . . . . 0.0 111.183 175.29 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -72.56 -24.97 61.19 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.834 0.349 . . . . 0.0 111.204 177.535 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.493 HD12 ' C ' ' A' ' 91' ' ' LEU . 4.7 pp -149.03 160.42 43.34 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.186 171.527 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 83.5 mttt -106.29 144.74 32.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.145 177.486 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 80.5 t -115.55 114.93 47.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.128 174.616 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 31.8 mm -110.78 111.99 38.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.261 -175.791 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -88.81 128.92 9.37 Favored Glycine 0 CA--C 1.524 0.6 0 N-CA-C 111.166 -0.773 . . . . 0.0 111.166 179.224 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 25.9 m-85 -112.24 122.88 48.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.822 0.344 . . . . 0.0 111.182 177.048 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 43.5 t0 -103.79 94.91 5.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.239 177.136 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 37.7 p90 -167.03 179.88 4.98 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.194 175.06 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 93.5 p -84.99 -128.15 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.22 -174.763 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 80.9 p -111.88 1.3 16.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.196 -177.9 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -71.82 -33.27 68.37 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.174 -170.347 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 72.0 mtm -116.33 16.17 15.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.215 -168.891 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 77.7 mt-30 -74.93 -35.04 62.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.22 -178.3 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 73.7 m -64.03 -31.41 72.59 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.173 178.691 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 94.5 mt -59.44 -46.98 92.27 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.205 178.496 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 49.6 mm -77.57 -36.76 23.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.179 -176.76 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 88.3 mtm-85 -60.01 -37.21 79.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.15 177.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -62.22 -30.08 70.84 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.216 175.455 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 109' ' ' TYR . . . . . . . . . . . . . 19.4 m-30 -92.96 -18.49 22.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.217 -174.834 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 74.8 p -74.15 172.13 12.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.146 -175.242 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 48.1 m-20 -112.12 -32.02 6.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.135 175.064 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 60.1 tp -139.5 136.43 34.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.186 174.588 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 85.7 t -114.04 122.67 68.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.205 -176.321 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 114' ' ' ILE . . . . . 0.459 HG12 ' HB ' ' A' ' 133' ' ' ILE . 92.9 mt -107.92 123.76 63.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.232 167.503 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 15.4 t -130.37 -176.6 4.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.191 177.848 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 73.7 m80 -133.5 145.05 49.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.201 -176.73 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -55.25 134.32 49.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.184 178.938 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 110.67 40.69 1.3 Allowed Glycine 0 CA--C 1.522 0.519 0 N-CA-C 111.212 -0.755 . . . . 0.0 111.212 -179.571 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 119' ' ' THR . . . . . 0.655 ' O ' ' C ' ' A' ' 120' ' ' GLY . 12.9 t -173.87 24.59 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.822 0.344 . . . . 0.0 111.211 175.897 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 120' ' ' GLY . . . . . 0.655 ' C ' ' O ' ' A' ' 119' ' ' THR . . . 3.45 63.86 0.0 OUTLIER Glycine 0 CA--C 1.523 0.564 0 N-CA-C 111.176 -0.77 . . . . 0.0 111.176 -174.571 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 121' ' ' SER . . . . . 0.63 ' N ' ' O ' ' A' ' 119' ' ' THR . 80.6 p -93.22 3.64 55.32 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.778 0.323 . . . . 0.0 111.221 177.905 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 122' ' ' ILE . . . . . . . . . . . . . 35.3 pt -67.38 -19.9 25.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.111 -172.613 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 64.1 tp -56.56 -46.03 80.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.113 -173.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 74.5 m-20 -59.95 -59.78 4.88 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.141 -173.563 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 10.4 t -54.55 -36.48 64.36 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.206 -179.13 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 4.0 mp -63.51 -51.13 66.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.212 176.644 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 20.1 ptt180 -74.88 -15.02 60.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.192 -175.749 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 97.9 mt -92.52 -7.43 47.35 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.184 178.701 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 84.0 m-20 64.43 35.04 9.84 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.221 -176.618 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 94.3 mttt -109.71 149.91 40.56 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.173 -178.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 38.5 Cg_endo -64.04 138.41 62.08 Favored 'Trans proline' 0 N--CA 1.458 -0.562 0 C-N-CA 121.639 1.559 . . . . 0.0 111.179 177.005 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 65.2 tp -128.5 126.16 39.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.15 -171.679 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 133' ' ' ILE . . . . . 0.459 ' HB ' HG12 ' A' ' 114' ' ' ILE . 62.0 mt -107.99 125.96 64.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.252 171.085 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 97.5 t -125.04 128.45 73.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.173 179.138 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 135' ' ' CYS . . . . . . . . . . . . . 95.9 m -89.07 124.94 34.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.265 175.038 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 97.2 t -94.07 114.39 30.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.183 -177.798 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 27.2 p30 -105.21 -172.8 2.16 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.184 -174.344 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 68.1 m-20 -109.77 25.15 12.12 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.173 -174.416 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 28.9 p -93.64 -5.03 49.6 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.238 170.35 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 78.8 mt -79.14 159.21 27.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.157 179.312 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 141' ' ' MET . . . . . . . . . . . . . 99.3 mmm -69.89 150.64 46.56 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.229 -179.913 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 142' ' ' ASP . . . . . 0.58 ' O ' ' HB2' ' A' ' 143' ' ' ASN . 95.7 m-20 -59.88 140.01 56.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.166 179.239 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 143' ' ' ASN . . . . . 0.58 ' HB2' ' O ' ' A' ' 142' ' ' ASP . 77.2 m-20 79.58 -64.87 0.21 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.237 -176.145 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 144' ' ' HIS . . . . . . . . . . . . . 18.3 t-160 -51.09 -37.1 43.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.202 177.892 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 145' ' ' GLN . . . . . . . . . . . . . 58.8 tt0 -49.22 -50.61 37.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.173 176.499 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 146' ' ' GLN . . . . . . . . . . . . . 73.0 tp60 -70.33 -36.65 74.38 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.203 -179.443 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 147' ' ' GLN . . . . . . . . . . . . . 89.1 mt-30 -63.75 -36.02 82.5 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.19 -177.087 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 148' ' ' ILE . . . . . . . . . . . . . 86.2 mt -64.02 -46.99 92.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.198 178.399 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -65.17 -36.75 85.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.196 176.467 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 95.1 m-20 -65.06 -35.07 79.98 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.193 178.563 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 151' ' ' LYS . . . . . 0.45 ' HB3' HG12 ' A' ' 199' ' ' ILE . 70.0 mmtt -77.6 -28.42 51.53 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.237 -179.661 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 152' ' ' PHE . . . . . . . . . . . . . 16.0 m-30 -61.44 -36.44 80.4 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.204 169.244 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 153' ' ' VAL . . . . . . . . . . . . . 79.3 t -75.01 -45.32 43.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.246 178.308 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 94.3 mt-10 -63.09 -34.51 77.76 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.207 178.585 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 155' ' ' LEU . . . . . 0.417 HD13 HD22 ' A' ' 195' ' ' LEU . 46.2 tp -67.63 -48.25 67.26 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.216 172.071 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . 85.42 10.22 77.64 Favored Glycine 0 CA--C 1.524 0.629 0 N-CA-C 111.222 -0.751 . . . . 0.0 111.222 168.684 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 157' ' ' TYR . . . . . . . . . . . . . 79.5 m-85 -124.98 3.57 8.02 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.775 0.321 . . . . 0.0 111.163 -179.196 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 158' ' ' VAL . . . . . . . . . . . . . 58.8 t -123.94 125.0 70.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.232 177.719 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 159' ' ' TRP . . . . . . . . . . . . . 95.4 m95 -82.74 133.3 35.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.189 179.393 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 160' ' ' SER . . . . . . . . . . . . . 40.5 t -102.31 109.28 20.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.169 178.502 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 161' ' ' CYS . . . . . . . . . . . . . 78.6 m -125.04 -175.22 3.24 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.216 -175.165 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -100.11 146.43 31.92 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.262 178.195 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 163' ' ' PRO . . . . . . . . . . . . . 89.3 Cg_endo -77.24 64.79 7.92 Favored 'Trans proline' 0 N--CA 1.457 -0.636 0 C-N-CA 121.801 1.667 . . . . 0.0 111.143 179.723 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 164' ' ' THR . . . . . . . . . . . . . 14.6 t -162.49 175.77 11.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.151 179.557 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 165' ' ' GLU . . . . . . . . . . . . . 89.3 tt0 -53.99 -45.95 71.57 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.156 -175.804 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 166' ' ' THR . . . . . . . . . . . . . 95.0 m -64.55 -48.9 73.32 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.177 -176.701 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 167' ' ' GLY . . . . . . . . . . . . . . . -66.21 -35.2 90.06 Favored Glycine 0 CA--C 1.523 0.571 0 N-CA-C 111.224 -0.75 . . . . 0.0 111.224 -177.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 168' ' ' LEU . . . . . . . . . . . . . 64.6 mt -69.36 -45.2 69.96 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.846 0.355 . . . . 0.0 111.229 -176.256 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 9.4 tp -75.11 -27.12 19.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.219 178.465 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 170' ' ' ALA . . . . . . . . . . . . . . . -69.55 -35.54 75.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.22 174.179 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 171' ' ' GLY . . . . . . . . . . . . . . . -63.63 -42.2 98.83 Favored Glycine 0 CA--C 1.524 0.609 0 N-CA-C 111.209 -0.757 . . . . 0.0 111.209 175.532 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 62.7 mt -61.4 -42.65 99.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.859 0.361 . . . . 0.0 111.195 175.698 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 173' ' ' ARG . . . . . . . . . . . . . 37.0 ttm180 -57.51 -46.41 83.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.202 174.511 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -64.99 -40.26 94.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.255 -177.382 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 60.7 p -65.05 -24.93 67.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.217 -178.18 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 176' ' ' GLN . . . . . . . . . . . . . 87.5 mm-40 -99.66 -18.56 17.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.162 -179.183 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 177' ' ' THR . . . . . . . . . . . . . 81.7 m -72.6 -46.3 54.88 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.252 175.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 178' ' ' GLU . . . . . . . . . . . . . 93.8 mt-10 -121.71 140.7 51.98 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.217 179.625 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 179' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -91.96 129.88 37.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.23 -178.225 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 180' ' ' LEU . . . . . . . . . . . . . 86.3 mt -95.1 154.97 16.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.167 176.256 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 181' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -122.25 163.08 34.16 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.195 -174.504 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 182' ' ' PRO . . . . . . . . . . . . . 68.7 Cg_exo -53.48 148.75 33.02 Favored 'Trans proline' 0 N--CA 1.458 -0.588 0 C-N-CA 121.714 1.609 . . . . 0.0 111.193 178.103 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 183' ' ' PHE . . . . . . . . . . . . . 38.9 m-85 -77.78 144.49 68.88 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.198 -171.442 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 184' ' ' PRO . . . . . . . . . . . . . 50.1 Cg_exo -54.46 -35.07 84.05 Favored 'Trans proline' 0 N--CA 1.457 -0.625 0 C-N-CA 121.692 1.595 . . . . 0.0 111.171 172.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 185' ' ' VAL . . . . . . . . . . . . . 89.2 t -70.91 129.39 34.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.161 179.083 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 186' ' ' SER . . . . . . . . . . . . . 84.0 p -117.11 4.61 12.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.217 -176.061 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 187' ' ' HIS . . . . . . . . . . . . . 91.4 m-70 -119.98 138.41 53.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.159 -178.401 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 188' ' ' ASN . . . . . 0.577 ' HB2' ' HD3' ' A' ' 189' ' ' PRO . 99.5 m-20 -66.85 -46.25 54.95 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.168 -177.511 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 189' ' ' PRO . . . . . 0.577 ' HD3' ' HB2' ' A' ' 188' ' ' ASN . 52.2 Cg_exo -55.11 -37.65 93.94 Favored 'Trans proline' 0 N--CA 1.457 -0.627 0 C-N-CA 121.713 1.608 . . . . 0.0 111.189 176.135 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 190' ' ' SER . . . . . . . . . . . . . 67.3 m -69.9 -40.63 75.5 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.167 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 191' ' ' PHE . . . . . . . . . . . . . 21.4 m-85 -54.75 -44.39 73.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.176 174.589 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 192' ' ' GLU . . . . . . . . . . . . . 89.2 tt0 -65.88 -45.95 80.16 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.193 179.608 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 193' ' ' ARG . . . . . . . . . . . . . 36.0 mmt180 -99.99 -49.95 4.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.189 -165.579 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 194' ' ' LEU . . . . . . . . . . . . . 4.9 tt -58.8 -52.55 65.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.227 -179.904 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 195' ' ' LEU . . . . . 0.417 HD22 HD13 ' A' ' 155' ' ' LEU . 88.3 mt -96.88 -64.29 1.06 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.218 -171.591 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 196' ' ' VAL . . . . . . . . . . . . . 55.7 t -66.4 -47.44 83.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.209 -166.134 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 197' ' ' GLU . . . . . . . . . . . . . 42.2 tt0 -55.6 -40.6 72.28 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.202 179.624 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 198' ' ' THR . . . . . . . . . . . . . 71.0 p -77.82 -24.55 48.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.199 -175.839 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 199' ' ' ILE . . . . . 0.45 HG12 ' HB3' ' A' ' 151' ' ' LYS . 83.8 mt -68.38 -43.92 83.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.183 172.06 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 200' ' ' TYR . . . . . . . . . . . . . 79.5 m-85 -106.47 35.54 2.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.2 179.658 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 201' ' ' SER . . . . . . . . . . . . . 40.9 t . . . . . 0 C--O 1.2 -1.529 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.211 179.377 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.606 0 N-CA-C 111.16 -0.776 . . . . 0.0 111.16 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 98.0 mt -99.93 -55.05 6.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.838 0.352 . . . . 0.0 111.224 -179.212 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 96.8 mt -73.32 -48.02 44.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.163 -178.397 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 75.1 mm-40 -91.11 154.98 18.98 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.172 -176.604 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 17.7 mt-10 -77.58 154.36 32.41 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.188 179.745 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.535 ' HB2' ' HA ' ' A' ' 39' ' ' PHE . 90.8 mttt -67.53 136.52 54.67 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.169 178.773 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -127.87 135.29 49.82 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.183 -174.127 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 97.1 mt -86.4 140.63 29.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.226 167.663 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 47.4 t80 -116.86 102.71 9.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.194 175.39 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 71.6 t -104.81 123.58 58.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.176 -172.316 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 69.8 p -115.32 141.43 48.04 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.267 174.814 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 82.5 m -113.48 144.94 41.99 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.186 -174.96 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -111.71 168.58 12.82 Favored Glycine 0 CA--C 1.523 0.556 0 N-CA-C 111.214 -0.754 . . . . 0.0 111.214 -179.299 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -87.35 54.76 3.26 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.827 0.346 . . . . 0.0 111.166 -173.133 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' THR . . . . . 0.401 ' OG1' ' NE2' ' A' ' 116' ' ' HIS . 29.4 p -128.5 -72.66 0.6 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.182 178.386 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 84.8 t -84.1 133.16 46.0 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.168 172.58 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 86.9 Cg_exo -51.36 141.8 39.48 Favored 'Trans proline' 0 N--CA 1.457 -0.627 0 C-N-CA 121.643 1.562 . . . . 0.0 111.222 -179.418 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' PHE . . . . . 0.542 ' N ' ' CD ' ' A' ' 19' ' ' PRO . 14.4 m-30 -63.39 -43.13 78.41 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.203 -173.089 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.542 ' CD ' ' N ' ' A' ' 18' ' ' PHE . 71.1 Cg_exo -54.91 -31.99 76.0 Favored 'Trans proline' 0 N--CA 1.459 -0.556 0 C-N-CA 121.636 1.558 . . . . 0.0 111.252 178.441 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -82.09 -24.66 35.06 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.157 -179.909 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 83.4 mt -75.8 -23.91 55.89 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.204 -179.135 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 27.3 m -99.34 -11.34 8.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.217 -176.854 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 72.9 p -63.48 -31.96 73.28 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.244 -178.26 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 26.1 p -80.58 -41.95 23.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.213 178.615 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 1.4 p -74.4 -19.97 17.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.215 -174.927 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 92.1 mt -100.1 5.41 44.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.171 -178.81 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 55.0 p -68.03 152.66 45.17 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.264 -178.073 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 94.7 m-20 -64.94 -34.96 79.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.222 179.059 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -69.87 -45.67 67.21 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.269 -179.567 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 78.7 t80 -59.65 -49.44 77.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.184 178.858 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 90.1 m -69.13 -39.87 78.63 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.187 -176.006 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 66.8 tt0 -55.74 -41.89 74.58 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.159 176.619 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 65.6 mm-40 -76.44 -38.2 55.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.224 176.793 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 36.7 tp -57.45 -42.53 82.68 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.16 -173.768 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 42.7 pt -73.61 -7.91 10.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.258 -174.811 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 68.4 mt-30 -93.92 -0.67 55.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.166 178.164 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 72.1 m-85 -109.34 -2.46 17.81 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.266 176.285 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 99.56 -5.86 58.8 Favored Glycine 0 CA--C 1.523 0.579 0 N-CA-C 111.224 -0.75 . . . . 0.0 111.224 178.586 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.535 ' HA ' ' HB2' ' A' ' 6' ' ' LYS . 51.8 m-85 -80.73 124.64 29.21 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.888 0.375 . . . . 0.0 111.208 -178.809 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 85.4 t -122.17 -42.23 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.156 -177.713 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 85.9 mtt180 -91.26 137.95 31.97 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.185 -172.082 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 56.7 tp -129.48 109.24 10.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.224 -176.96 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 3.0 mp -94.65 106.25 17.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.14 179.167 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 45.6 mm -101.99 102.39 13.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.171 -179.715 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 21.4 tm0? -77.53 127.7 32.95 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.197 174.02 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 47.3 p90 -155.05 158.66 39.43 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.178 171.879 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -111.09 -5.51 26.79 Favored Glycine 0 CA--C 1.524 0.629 0 N-CA-C 111.15 -0.78 . . . . 0.0 111.15 178.723 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -101.9 124.13 47.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.853 0.359 . . . . 0.0 111.231 -179.606 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 56.5 t30 -77.37 68.52 3.49 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.214 -175.782 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 53.8 p90 -98.6 30.49 3.24 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.193 167.917 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 91.5 p -66.36 -15.44 63.27 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.146 -173.42 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 87.5 p -65.12 -25.04 67.6 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.192 175.154 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 77.2 mm-40 -71.16 -35.17 71.54 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.163 176.343 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 52.2 m-85 -65.47 -38.77 90.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.214 171.712 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.441 ' HG3' ' HE ' ' A' ' 65' ' ' ARG . 79.0 tt0 -66.99 -36.58 82.48 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.15 178.121 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 34.7 m-70 -70.1 -30.0 67.11 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.192 175.929 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 57.3 tp -64.55 -46.77 81.38 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.2 179.182 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 28.1 m -72.29 -23.99 21.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.212 -179.515 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 82.6 mt-30 -68.51 -38.73 81.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.179 172.704 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -68.6 -32.3 72.09 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.224 177.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 74.7 mmt-85 -95.0 -16.58 22.64 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.238 -174.037 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 82.7 32.2 27.84 Favored Glycine 0 CA--C 1.523 0.575 0 N-CA-C 111.228 -0.749 . . . . 0.0 111.228 176.193 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -102.81 -164.67 26.02 Favored Glycine 0 CA--C 1.522 0.528 0 N-CA-C 111.216 -0.753 . . . . 0.0 111.216 -179.509 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 95.4 mm-40 -119.72 177.39 4.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.811 0.339 . . . . 0.0 111.151 179.834 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.441 ' HE ' ' HG3' ' A' ' 55' ' ' GLU . 0.0 OUTLIER -167.03 150.08 6.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.176 178.401 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 41.3 tt0 -152.83 131.96 12.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.179 -177.593 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 35.3 t -78.75 131.17 36.46 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.205 172.697 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 84.9 mt-30 -136.56 145.01 44.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.202 -175.352 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -84.73 124.98 32.13 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.258 172.908 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.486 ' HB ' ' HB2' ' A' ' 77' ' ' CYS . 48.0 mm -112.39 134.82 21.47 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.273 -171.561 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 76.9 Cg_exo -55.44 155.52 20.49 Favored 'Trans proline' 0 N--CA 1.457 -0.62 0 C-N-CA 121.68 1.586 . . . . 0.0 111.239 -176.375 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 96.6 mt -93.09 -47.35 13.77 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.235 176.748 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 99.5 m-20 -64.97 -43.27 93.17 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.147 -177.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 61.9 tp60 -78.17 -31.87 49.88 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.207 -176.163 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 95.7 m-85 -124.93 -59.96 1.39 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.189 -174.507 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 119.98 23.21 3.06 Favored Glycine 0 CA--C 1.523 0.552 0 N-CA-C 111.208 -0.757 . . . . 0.0 111.208 179.587 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 77' ' ' CYS . . . . . 0.486 ' HB2' ' HB ' ' A' ' 70' ' ' ILE . 66.4 m -115.1 165.96 12.34 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.766 0.317 . . . . 0.0 111.202 -172.168 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -104.3 -140.44 10.54 Favored Glycine 0 CA--C 1.523 0.588 0 N-CA-C 111.196 -0.762 . . . . 0.0 111.196 175.859 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 52.8 p-10 -106.61 22.94 15.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.823 0.344 . . . . 0.0 111.192 178.724 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 80' ' ' THR . . . . . 0.432 ' HB ' ' HB3' ' A' ' 97' ' ' ASP . 68.2 p -115.65 38.46 3.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.155 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -109.95 138.27 46.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.175 174.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 82.9 mtp180 -128.96 122.0 29.22 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.229 -177.766 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 63.9 tt0 -87.33 135.62 33.25 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.118 -179.89 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 95.1 m-85 -129.54 132.71 46.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.218 -177.635 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 96.0 t -103.55 117.92 49.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.187 -174.689 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 80.7 mt -129.61 167.55 17.78 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.157 -177.155 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 94.7 mmm 59.63 30.43 20.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.16 177.225 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 96.4 m-20 64.97 33.76 9.51 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.201 178.937 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 95.45 -2.16 64.89 Favored Glycine 0 CA--C 1.523 0.551 0 N-CA-C 111.238 -0.745 . . . . 0.0 111.238 176.164 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 99.7 mttt -83.6 -14.63 51.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.831 0.348 . . . . 0.0 111.21 -178.902 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.432 ' HG ' HG23 ' A' ' 93' ' ' VAL . 39.4 tp -126.02 126.21 43.91 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.218 178.634 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -112.13 92.57 4.08 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.242 -179.093 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 93' ' ' VAL . . . . . 0.432 HG23 ' HG ' ' A' ' 91' ' ' LEU . 99.2 t -97.86 119.65 46.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.218 -177.609 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 72.0 mt -118.74 119.88 62.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.122 179.638 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -87.29 134.61 12.59 Favored Glycine 0 CA--C 1.522 0.497 0 N-CA-C 111.253 -0.739 . . . . 0.0 111.253 178.842 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 96.9 m-85 -120.17 101.58 7.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.801 0.334 . . . . 0.0 111.186 -178.652 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 97' ' ' ASP . . . . . 0.432 ' HB3' ' HB ' ' A' ' 80' ' ' THR . 55.4 t0 -84.91 75.22 10.39 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.17 -175.96 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 45.7 p90 -176.17 172.97 2.26 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.142 174.276 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 86.6 p -64.85 -176.88 0.29 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.198 -177.398 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 47.4 p -75.05 70.35 2.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.147 -177.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -97.93 -3.12 39.09 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.2 179.431 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 71.8 mtm -82.15 65.05 7.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.243 -174.285 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 97.7 mm-40 -90.01 -4.86 57.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.257 -169.962 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 38.3 m -98.3 -38.38 9.28 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.182 173.046 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 90.1 mt -58.57 -48.66 84.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.258 171.613 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 13.1 tt -63.96 -13.88 14.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.232 -175.39 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 78.7 ttt-85 -87.13 -63.66 1.27 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.253 -178.415 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 58.5 m-20 -106.17 -34.77 7.42 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.209 -167.515 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 109' ' ' TYR . . . . . . . . . . . . . 76.5 m-85 -80.4 -41.9 23.75 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.192 -173.251 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 39.4 t -61.76 136.08 57.85 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.219 178.397 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 30.5 m-20 -116.09 -28.37 6.63 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.174 176.136 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 10.0 tt -138.62 130.92 28.6 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.166 172.38 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 84.3 t -95.1 126.65 47.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.212 -173.551 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 114' ' ' ILE . . . . . 0.43 HG12 ' HB ' ' A' ' 133' ' ' ILE . 84.1 mt -121.24 121.53 65.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.164 174.963 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 40.0 m -127.04 138.37 53.22 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.203 -179.72 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 116' ' ' HIS . . . . . 0.401 ' NE2' ' OG1' ' A' ' 15' ' ' THR . 74.8 t60 -93.58 131.48 38.81 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.204 173.041 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -61.22 126.3 26.86 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.257 179.057 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 121.12 21.6 3.09 Favored Glycine 0 CA--C 1.523 0.533 0 N-CA-C 111.234 -0.746 . . . . 0.0 111.234 -175.772 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 60.3 m -114.61 -48.23 2.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.745 0.307 . . . . 0.0 111.209 -175.441 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 102.07 -39.11 2.88 Favored Glycine 0 CA--C 1.522 0.514 0 N-CA-C 111.252 -0.739 . . . . 0.0 111.252 -177.04 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 82.4 p -70.48 -15.01 62.76 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.771 0.32 . . . . 0.0 111.183 179.669 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 122' ' ' ILE . . . . . . . . . . . . . 19.6 tt -51.13 -30.04 9.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.195 173.463 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 97.4 mt -65.0 -27.97 69.19 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.224 -176.333 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 68.6 m-20 -104.07 -23.32 13.32 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.164 -178.075 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 52.4 p -75.35 -18.05 60.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.222 -176.146 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 126' ' ' LEU . . . . . 0.423 HD12 HD11 ' A' ' 195' ' ' LEU . 85.4 mt -93.87 -0.48 55.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.229 -178.065 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 51.6 ptt85 -118.1 40.08 3.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.157 178.762 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 90.6 mt -107.67 5.08 26.48 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.196 -176.07 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 96.4 m-20 64.97 35.31 8.3 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.197 -178.393 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 50.8 mttm -127.54 158.2 70.61 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.225 177.062 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_exo -53.82 138.75 68.97 Favored 'Trans proline' 0 N--CA 1.458 -0.614 0 C-N-CA 121.722 1.615 . . . . 0.0 111.255 173.444 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 64.2 mt -122.54 124.46 43.59 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.187 -165.493 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 133' ' ' ILE . . . . . 0.43 ' HB ' HG12 ' A' ' 114' ' ' ILE . 82.7 mt -123.71 129.6 74.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.203 167.93 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 71.9 t -124.91 131.75 72.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.136 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 135' ' ' CYS . . . . . . . . . . . . . 52.7 t -108.25 124.75 50.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.174 179.198 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 28.7 m -78.63 168.86 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.204 -179.812 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 25.2 p30 -120.14 -176.19 3.15 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.206 -174.297 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 70.7 m-20 -95.32 -18.08 21.1 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.232 -174.202 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 66.8 p -75.93 -20.87 57.63 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.246 -178.213 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 92.1 mt -61.48 144.76 53.66 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.248 169.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 141' ' ' MET . . . . . . . . . . . . . 98.9 mtp -72.5 163.1 28.57 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.163 176.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 98.9 m-20 -54.7 -39.53 68.25 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.179 177.335 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 98.7 m-20 -69.51 -34.69 74.64 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.206 177.4 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 144' ' ' HIS . . . . . . . . . . . . . 57.7 m170 -64.11 -50.15 69.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.173 178.957 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 145' ' ' GLN . . . . . . . . . . . . . 92.7 mt-30 -61.82 -38.33 87.76 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.175 -178.464 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 146' ' ' GLN . . . . . . . . . . . . . 73.0 tp60 -66.54 -51.63 54.5 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.17 179.085 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 147' ' ' GLN . . . . . . . . . . . . . 99.5 mm-40 -73.73 -37.66 65.02 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.182 -172.168 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 148' ' ' ILE . . . . . . . . . . . . . 85.9 mt -64.82 -44.9 96.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.177 179.386 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -63.99 -39.44 94.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.197 177.04 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 93.4 m-20 -66.58 -37.64 85.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.217 178.967 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 151' ' ' LYS . . . . . . . . . . . . . 96.9 mttt -67.65 -40.63 84.55 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.198 176.749 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 152' ' ' PHE . . . . . . . . . . . . . 12.1 m-30 -59.91 -46.53 89.05 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.228 179.007 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 153' ' ' VAL . . . . . . . . . . . . . 75.3 t -73.63 -41.97 55.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.211 -179.286 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -55.58 -44.29 76.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.189 178.924 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 155' ' ' LEU . . . . . . . . . . . . . 95.4 mt -73.83 -41.43 62.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.128 178.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . 81.17 19.5 66.85 Favored Glycine 0 CA--C 1.523 0.555 0 N-CA-C 111.236 -0.746 . . . . 0.0 111.236 166.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 157' ' ' TYR . . . . . . . . . . . . . 79.8 m-85 -116.63 12.09 14.89 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.768 0.318 . . . . 0.0 111.216 179.126 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 158' ' ' VAL . . . . . . . . . . . . . 9.0 p -160.0 134.12 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.2 178.639 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 159' ' ' TRP . . . . . 0.495 ' HA ' ' CE3' ' A' ' 159' ' ' TRP . 3.7 m95 -79.31 139.99 37.67 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.216 176.511 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 160' ' ' SER . . . . . . . . . . . . . 46.7 t -100.7 110.74 22.88 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.199 177.91 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 161' ' ' CYS . . . . . . . . . . . . . 85.5 m -110.14 149.5 29.98 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.162 -179.415 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -93.6 158.4 36.79 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.188 175.695 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 163' ' ' PRO . . . . . . . . . . . . . 85.5 Cg_endo -74.94 66.1 5.98 Favored 'Trans proline' 0 N--CA 1.458 -0.585 0 C-N-CA 121.687 1.592 . . . . 0.0 111.229 176.863 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 164' ' ' THR . . . . . . . . . . . . . 13.7 t -150.73 179.25 8.36 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.208 -177.02 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 165' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -66.19 -32.5 73.96 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.267 -168.399 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 166' ' ' THR . . . . . . . . . . . . . 75.2 p -106.77 15.96 24.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.176 -176.413 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 167' ' ' GLY . . . . . . . . . . . . . . . -64.67 -51.75 48.95 Favored Glycine 0 CA--C 1.523 0.551 0 N-CA-C 111.21 -0.756 . . . . 0.0 111.21 179.666 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 168' ' ' LEU . . . . . . . . . . . . . 79.3 mt -80.32 -24.08 40.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.817 0.341 . . . . 0.0 111.192 -178.554 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 93.0 mt -64.62 -41.92 93.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.177 175.513 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 170' ' ' ALA . . . . . . . . . . . . . . . -62.53 -44.37 96.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.144 176.636 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 171' ' ' GLY . . . . . . . . . . . . . . . -66.61 -38.78 93.55 Favored Glycine 0 CA--C 1.522 0.53 0 N-CA-C 111.153 -0.779 . . . . 0.0 111.153 178.792 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 62.7 tp -63.0 -43.42 98.85 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.761 0.315 . . . . 0.0 111.184 179.095 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 173' ' ' ARG . . . . . . . . . . . . . 97.1 mtt180 -75.19 -28.28 59.95 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.185 178.112 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -64.04 -34.63 78.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.201 177.121 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 75.4 m -61.63 -30.12 70.5 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.214 176.559 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 176' ' ' GLN . . . . . . . . . . . . . 66.6 tt0 -75.2 -39.18 60.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.213 175.572 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 177' ' ' THR . . . . . . . . . . . . . 92.4 m -64.6 -53.82 41.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.235 -179.761 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 178' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -129.25 144.55 51.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.306 176.891 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 179' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -62.12 124.96 22.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.265 -178.759 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 180' ' ' LEU . . . . . . . . . . . . . 66.0 tp -89.37 114.39 25.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.234 -177.36 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 181' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -115.19 152.72 47.04 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.245 -176.135 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 182' ' ' PRO . . . . . . . . . . . . . 70.0 Cg_endo -72.67 164.55 35.26 Favored 'Trans proline' 0 N--CA 1.458 -0.576 0 C-N-CA 121.749 1.632 . . . . 0.0 111.171 178.758 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 183' ' ' PHE . . . . . . . . . . . . . 33.6 m-85 -68.69 137.54 90.51 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.171 175.786 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 184' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_endo -69.66 169.79 17.96 Favored 'Trans proline' 0 N--CA 1.458 -0.581 0 C-N-CA 121.765 1.643 . . . . 0.0 111.178 173.761 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 185' ' ' VAL . . . . . . . . . . . . . 33.3 m -67.67 -16.54 21.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.249 -177.902 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 186' ' ' SER . . . . . . . . . . . . . 95.4 p -80.89 -16.88 52.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.164 178.283 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 187' ' ' HIS . . . . . . . . . . . . . 60.4 m170 -106.92 2.57 25.41 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.175 -176.899 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 188' ' ' ASN . . . . . 0.463 ' HB2' ' HD3' ' A' ' 189' ' ' PRO . 98.4 m-20 -69.92 -50.94 15.85 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.248 173.675 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 189' ' ' PRO . . . . . 0.463 ' HD3' ' HB2' ' A' ' 188' ' ' ASN . 84.9 Cg_endo -76.61 -12.59 18.4 Favored 'Trans proline' 0 N--CA 1.458 -0.578 0 C-N-CA 121.733 1.622 . . . . 0.0 111.156 177.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 190' ' ' SER . . . . . . . . . . . . . 71.1 m -78.1 -5.76 52.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.195 178.209 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 191' ' ' PHE . . . . . . . . . . . . . 17.9 m-30 -63.64 -20.32 65.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.154 176.527 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 192' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -58.18 -49.85 75.58 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.188 175.043 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 193' ' ' ARG . . . . . . . . . . . . . 39.2 mmt180 -89.85 -17.4 28.16 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.203 -175.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 194' ' ' LEU . . . . . . . . . . . . . 62.8 tp -80.73 -57.56 3.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.23 177.721 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 195' ' ' LEU . . . . . 0.423 HD11 HD12 ' A' ' 126' ' ' LEU . 71.3 mt -108.81 -44.88 3.92 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.195 -167.302 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 196' ' ' VAL . . . . . . . . . . . . . 74.7 t -70.81 -40.76 77.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.203 -174.58 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 197' ' ' GLU . . . . . . . . . . . . . 43.8 tt0 -64.2 -41.1 97.21 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.216 179.822 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 198' ' ' THR . . . . . . . . . . . . . 71.0 p -95.65 -56.48 2.67 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.199 -170.543 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 199' ' ' ILE . . . . . . . . . . . . . 95.8 mt -82.34 -50.21 16.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.193 -171.065 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 200' ' ' TYR . . . . . . . . . . . . . 63.7 m-85 -105.77 34.92 3.07 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.214 -172.943 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 201' ' ' SER . . . . . . . . . . . . . 43.4 t . . . . . 0 C--O 1.2 -1.517 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.191 178.491 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.576 0 N-CA-C 111.169 -0.772 . . . . 0.0 111.169 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 44.8 pt -115.01 15.01 8.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-O 120.766 0.317 . . . . 0.0 111.189 179.852 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 38.7 mm -104.09 127.7 58.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.157 -177.014 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 88.9 tt0 -54.11 140.0 33.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.245 175.074 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 95.2 mt-10 -97.75 80.73 2.81 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.183 -174.355 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -85.25 159.91 19.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.181 166.468 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -100.48 114.1 27.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.201 -171.84 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 49.9 tp -102.45 119.91 39.62 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.218 170.518 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 40.2 t80 -104.68 120.17 40.72 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.174 178.691 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 97.1 t -114.85 128.89 71.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.148 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 11.8 t -138.75 150.2 45.87 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.194 178.776 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 72.4 m -125.11 155.0 40.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.189 -173.824 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -79.24 173.79 55.27 Favored Glycine 0 CA--C 1.524 0.612 0 N-CA-C 111.169 -0.772 . . . . 0.0 111.169 170.914 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -93.37 -9.76 37.62 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.736 0.303 . . . . 0.0 111.152 -178.581 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 98.7 m -65.4 -43.88 89.22 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.189 -177.0 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 66.1 t -112.68 133.98 21.77 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.17 -178.633 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 88.3 Cg_exo -51.71 142.74 40.11 Favored 'Trans proline' 0 N--CA 1.459 -0.545 0 C-N-CA 121.667 1.578 . . . . 0.0 111.229 -179.194 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' PHE . . . . . 0.537 ' HB3' ' HD3' ' A' ' 19' ' ' PRO . 81.6 t80 -58.15 -43.82 98.7 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.22 -177.755 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.537 ' HD3' ' HB3' ' A' ' 18' ' ' PHE . 83.0 Cg_exo -53.89 -31.36 62.44 Favored 'Trans proline' 0 N--CA 1.459 -0.532 0 C-N-CA 121.595 1.53 . . . . 0.0 111.224 -179.029 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 97.4 mttt -85.56 -31.66 22.56 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.211 -176.397 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 92.0 mt -82.04 -33.98 29.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.24 -179.294 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 6.6 p -70.96 -17.27 20.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.148 -175.677 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 85.4 p -63.69 -17.21 62.74 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.156 -178.201 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 99.4 m -83.75 -15.01 50.17 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.155 -178.389 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 26.9 m -119.97 12.29 6.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.249 -177.486 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 94.2 mt -108.57 2.3 22.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.188 174.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 3.9 t -60.1 140.0 57.15 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.174 177.282 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 98.1 m-20 -63.24 -35.11 79.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.22 175.956 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 77.8 mm-40 -75.12 -36.67 61.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.156 177.662 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.412 ' CE2' HD11 ' A' ' 34' ' ' LEU . 82.6 t80 -55.97 -51.09 68.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.206 175.71 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 98.5 m -76.45 -29.06 56.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.19 -176.93 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 68.9 tp60 -65.1 -31.49 72.72 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.153 177.688 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 69.6 mm-40 -79.7 -38.25 33.91 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.244 179.05 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.412 HD11 ' CE2' ' A' ' 30' ' ' PHE . 36.3 mt -54.54 -41.26 69.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.232 -178.761 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 48.1 pt -76.41 -7.57 10.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.203 -177.168 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 65.6 mt-30 -94.86 -5.67 44.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.258 173.955 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 30.1 m-85 -110.99 -10.36 14.38 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.179 172.166 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 94.66 33.55 6.69 Favored Glycine 0 CA--C 1.524 0.631 0 N-CA-C 111.228 -0.749 . . . . 0.0 111.228 173.488 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 84.4 m-85 -99.19 130.2 45.48 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.822 0.344 . . . . 0.0 111.208 174.594 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 81.7 t -133.15 -40.03 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.233 177.288 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 97.1 mtt180 -82.97 109.95 17.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.184 -173.164 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.455 HD23 HG22 ' A' ' 93' ' ' VAL . 63.3 tp -107.68 111.28 23.41 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.187 -178.42 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 84.3 mt -101.83 117.96 47.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.135 176.815 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 92.8 mt -112.8 123.33 68.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.22 -173.895 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 66.5 tt0 -98.75 145.04 27.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.219 176.927 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 46.6 p90 -153.66 163.73 39.5 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.224 172.161 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -106.28 -135.77 8.16 Favored Glycine 0 CA--C 1.523 0.58 0 N-CA-C 111.197 -0.761 . . . . 0.0 111.197 -173.485 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 98.1 mtt180 -109.09 -32.52 7.2 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.813 0.339 . . . . 0.0 111.21 179.206 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 99.3 m-20 -72.4 -17.02 61.84 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.188 177.328 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 33.1 p90 -149.02 155.03 40.19 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.157 178.268 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 91.4 p -144.39 160.31 41.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.173 -171.795 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 40.8 t -107.62 119.33 39.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.214 179.167 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 88.1 tt0 -144.89 120.67 10.55 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.154 -179.605 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 76.5 m-85 -121.41 26.8 8.65 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.186 -177.503 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 69.1 mm-40 -54.35 -52.89 60.16 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.178 -179.583 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 86.3 t60 -66.11 -42.63 88.96 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.251 -179.402 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 66.4 tp -53.98 -51.95 62.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.206 -179.585 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 54.8 t -69.46 -40.04 79.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.228 -177.484 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 71.6 tp60 -64.67 -35.06 79.82 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.185 179.509 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -69.62 -42.33 74.49 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.185 177.008 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 94.9 mtt-85 -73.52 -24.27 60.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.196 179.65 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 84.99 31.94 22.1 Favored Glycine 0 CA--C 1.523 0.563 0 N-CA-C 111.262 -0.735 . . . . 0.0 111.262 -179.859 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -94.9 -162.2 34.63 Favored Glycine 0 CA--C 1.522 0.516 0 N-CA-C 111.25 -0.74 . . . . 0.0 111.25 -179.216 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 97.3 mm-40 -113.73 161.8 17.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.738 0.304 . . . . 0.0 111.241 179.511 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 33.2 ptt-85 -160.01 144.78 14.88 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.226 176.046 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -162.45 143.49 10.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.24 -171.519 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 75.0 m -83.19 124.96 31.04 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.175 171.805 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 80.1 mt-30 -133.47 153.32 51.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.202 -175.063 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -113.05 104.85 12.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.182 -174.151 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 65.9 mt -119.97 128.86 25.64 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.215 -175.034 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 77.7 Cg_exo -52.47 117.92 4.14 Favored 'Trans proline' 0 N--CA 1.458 -0.568 0 C-N-CA 121.658 1.572 . . . . 0.0 111.22 179.899 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 94.6 mt -63.83 -41.88 94.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.21 176.025 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 16.0 p-10 -76.53 -11.4 59.87 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.205 -169.303 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 98.6 mm-40 -110.06 -30.86 7.59 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.217 -177.411 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 99.0 m-85 -121.12 -35.03 3.38 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.262 -174.149 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 97.95 -1.37 59.45 Favored Glycine 0 CA--C 1.524 0.602 0 N-CA-C 111.199 -0.761 . . . . 0.0 111.199 -176.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 72.3 m -94.08 158.07 15.79 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.796 0.331 . . . . 0.0 111.203 177.86 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -65.0 140.6 42.21 Favored Glycine 0 CA--C 1.524 0.632 0 N-CA-C 111.215 -0.754 . . . . 0.0 111.215 -168.039 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 92.7 m-20 -65.53 -26.22 67.79 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.783 0.325 . . . . 0.0 111.175 177.11 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 66.6 p -135.01 69.94 1.44 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.185 169.303 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -95.93 156.11 16.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.18 -168.634 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 22.3 tpt180 -100.04 112.14 24.44 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.229 173.795 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 83' ' ' GLN . . . . . 0.459 ' HA ' ' O ' ' A' ' 93' ' ' VAL . 32.9 tt0 -93.13 133.13 36.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.21 -176.427 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 84' ' ' TYR . . . . . 0.483 ' HB2' ' HB ' ' A' ' 93' ' ' VAL . 98.5 m-85 -121.14 139.99 52.6 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.185 173.892 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 91.6 t -102.5 113.97 40.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.211 -179.511 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 93.5 mt -123.88 166.36 15.77 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.245 179.197 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 98.6 mmm 60.52 30.02 19.44 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.246 176.503 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 96.4 m-20 64.98 34.24 9.1 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.246 177.929 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 94.84 -3.56 67.69 Favored Glycine 0 CA--C 1.523 0.555 0 N-CA-C 111.192 -0.763 . . . . 0.0 111.192 176.248 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 99.7 mttt -80.08 -19.87 46.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.872 0.367 . . . . 0.0 111.21 -178.897 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 69.0 tp -119.73 118.8 31.85 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.184 174.379 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -104.06 99.2 8.94 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.151 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 93' ' ' VAL . . . . . 0.483 ' HB ' ' HB2' ' A' ' 84' ' ' TYR . 58.1 t -88.11 127.59 41.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.172 -171.839 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 67.8 mt -124.96 95.59 3.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.22 -178.073 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -89.7 131.18 10.59 Favored Glycine 0 CA--C 1.524 0.628 0 N-CA-C 111.184 -0.766 . . . . 0.0 111.184 179.78 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 82.8 t80 -166.34 143.43 5.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.822 0.344 . . . . 0.0 111.155 176.756 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 60.3 t0 -77.79 103.71 7.89 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.2 177.631 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 95.3 m-85 -95.91 149.98 20.94 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.208 -179.353 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 82.3 p -96.1 175.34 6.5 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.211 172.701 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 87.0 m -63.18 -33.62 75.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.192 176.201 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -65.03 -29.17 70.05 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.168 173.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 64.6 mtt -84.42 -21.78 30.63 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.182 177.598 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 93.5 mt-30 -66.69 -39.14 87.97 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.216 171.481 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 86.7 p -69.37 -15.05 63.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.188 177.328 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 96.6 mt -88.91 -46.77 15.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.22 173.648 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 87.2 mt -65.2 -30.24 49.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.249 -176.41 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 39.2 ptt180 -61.07 -19.32 61.27 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.209 179.124 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 71.5 m-20 -89.75 -18.72 25.8 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.152 176.913 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 109' ' ' TYR . . . . . . . . . . . . . 59.5 m-85 -119.97 67.23 0.82 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.225 -179.84 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 43.4 t -156.69 143.25 18.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.223 -177.418 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 60.9 m-20 -109.73 -31.66 7.37 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.192 174.756 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 54.7 tp -141.44 135.58 30.45 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.261 174.561 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 97.7 t -112.81 138.67 41.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.156 175.699 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 93.9 mt -121.84 129.53 75.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.23 171.42 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 32.4 t -118.94 119.78 35.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.217 -174.944 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 98.5 m-70 -98.07 119.64 37.06 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.24 -179.057 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . 54.19 44.25 29.41 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.207 175.283 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -166.7 157.46 29.95 Favored Glycine 0 CA--C 1.524 0.596 0 N-CA-C 111.181 -0.768 . . . . 0.0 111.181 178.857 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 69.4 p -131.83 -6.55 3.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.726 0.298 . . . . 0.0 111.168 179.898 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -64.52 -29.62 75.63 Favored Glycine 0 CA--C 1.523 0.564 0 N-CA-C 111.159 -0.776 . . . . 0.0 111.159 -178.663 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 82.6 p -71.32 -20.02 62.24 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.793 0.33 . . . . 0.0 111.155 -179.72 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 122' ' ' ILE . . . . . 0.524 ' HA ' HD13 ' A' ' 132' ' ' LEU . 94.8 mt -64.95 -33.44 63.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.169 -177.081 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 61.4 tp -46.49 -52.39 13.36 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.201 -178.967 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 90.9 m-20 -68.43 -45.66 71.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.146 -176.715 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 23.0 t -61.98 -57.52 11.38 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.208 -169.581 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 73.6 mt -73.66 -26.36 60.71 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.257 -173.634 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 77.2 ttt180 -63.42 -29.99 71.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.136 175.176 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 88.8 mt -97.26 9.47 42.16 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.247 177.345 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 96.3 m-20 65.01 35.06 8.37 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.152 178.047 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 130' ' ' LYS . . . . . 0.422 ' HA ' ' HD3' ' A' ' 131' ' ' PRO . 95.9 mttt -110.41 137.75 20.74 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.191 179.68 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 131' ' ' PRO . . . . . 0.422 ' HD3' ' HA ' ' A' ' 130' ' ' LYS . 50.3 Cg_exo -60.67 143.65 99.44 Favored 'Trans proline' 0 N--CA 1.458 -0.59 0 C-N-CA 121.717 1.611 . . . . 0.0 111.227 -176.732 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 132' ' ' LEU . . . . . 0.524 HD13 ' HA ' ' A' ' 122' ' ' ILE . 9.0 tt -137.57 138.91 40.06 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.177 172.185 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 68.0 mt -116.77 132.14 67.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.164 177.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 89.7 t -95.83 100.12 10.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.159 173.383 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 135' ' ' CYS . . . . . . . . . . . . . 88.1 m -98.2 128.36 44.63 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.228 176.3 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 35.9 m -125.27 157.85 33.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.241 -179.117 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 53.3 p30 -100.57 -166.14 1.29 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.201 179.632 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 57.5 p-10 -95.33 16.31 17.1 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.189 -169.641 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 51.8 p -77.04 -19.27 57.38 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.187 174.785 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 89.4 mt -87.38 152.1 22.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.13 176.764 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 141' ' ' MET . . . . . . . . . . . . . 58.7 ttm -62.52 142.15 58.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.186 174.541 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 98.8 m-20 -50.76 -40.04 53.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.182 -178.748 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 99.5 m-20 -64.94 -35.78 82.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.218 177.078 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 144' ' ' HIS . . . . . . . . . . . . . 57.8 m170 -73.51 -32.88 64.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.17 -179.381 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 145' ' ' GLN . . . . . . . . . . . . . 79.9 mt-30 -65.0 -43.29 93.04 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.193 177.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 146' ' ' GLN . . . . . . . . . . . . . 72.8 tp60 -69.96 -37.11 75.7 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.23 175.778 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 147' ' ' GLN . . . . . 0.459 ' NE2' ' O ' ' A' ' 201' ' ' SER . 29.8 tt0 -57.75 -34.6 69.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.2 -179.033 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 148' ' ' ILE . . . . . 0.466 HG12 ' HA ' ' A' ' 199' ' ' ILE . 84.5 mt -56.79 -58.11 6.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.264 178.08 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -68.2 -31.58 71.21 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.184 -175.831 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 85.4 m-20 -51.18 -45.11 61.68 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.209 -174.737 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 151' ' ' LYS . . . . . 0.457 ' HD3' ' HA ' ' A' ' 151' ' ' LYS . 48.1 mmtt -100.03 -35.03 9.84 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.172 -173.54 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 152' ' ' PHE . . . . . . . . . . . . . 9.8 m-30 -65.72 -32.65 74.31 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.194 -178.637 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 153' ' ' VAL . . . . . . . . . . . . . 90.5 t -94.18 -39.98 11.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.233 -178.329 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 86.7 tt0 -53.44 -44.58 68.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.142 175.387 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 155' ' ' LEU . . . . . . . . . . . . . 96.4 mt -75.44 -24.84 57.09 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.306 -0.407 . . . . 0.0 111.191 177.937 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . 75.34 41.89 29.55 Favored Glycine 0 CA--C 1.524 0.625 0 N-CA-C 111.179 -0.768 . . . . 0.0 111.179 179.335 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 157' ' ' TYR . . . . . . . . . . . . . 13.6 m-30 -108.61 -39.9 5.25 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.865 0.364 . . . . 0.0 111.257 -172.566 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 158' ' ' VAL . . . . . . . . . . . . . 10.4 p -156.3 146.39 11.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.16 -178.243 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 159' ' ' TRP . . . . . . . . . . . . . 51.7 m95 -82.85 162.56 21.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.183 -176.648 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 160' ' ' SER . . . . . . . . . . . . . 40.8 t -140.6 138.87 34.73 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.213 -177.943 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 161' ' ' CYS . . . . . . . . . . . . . 62.0 m -128.37 130.8 48.25 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.199 -177.932 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -86.42 159.14 53.72 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.168 171.943 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 163' ' ' PRO . . . . . . . . . . . . . 98.5 Cg_endo -76.38 65.36 7.25 Favored 'Trans proline' 0 N--CA 1.458 -0.586 0 C-N-CA 121.746 1.63 . . . . 0.0 111.144 -179.237 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 164' ' ' THR . . . . . . . . . . . . . 35.9 p -134.97 174.77 10.23 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.231 176.441 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 165' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -64.96 -31.08 72.14 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.172 -174.348 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 166' ' ' THR . . . . . . . . . . . . . 82.3 p -106.92 -24.27 12.08 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.215 -179.066 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 167' ' ' GLY . . . . . . . . . . . . . . . -67.81 -35.63 85.48 Favored Glycine 0 CA--C 1.523 0.55 0 N-CA-C 111.236 -0.746 . . . . 0.0 111.236 -177.573 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 168' ' ' LEU . . . . . . . . . . . . . 95.7 mt -77.02 -10.58 59.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.794 0.33 . . . . 0.0 111.197 -176.872 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 46.1 pt -120.63 -3.77 9.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.191 179.723 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 170' ' ' ALA . . . . . . . . . . . . . . . -62.18 -42.07 98.93 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.17 175.551 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 171' ' ' GLY . . . . . . . . . . . . . . . -70.35 -34.51 68.82 Favored Glycine 0 CA--C 1.523 0.587 0 N-CA-C 111.171 -0.772 . . . . 0.0 111.171 177.7 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 80.3 mt -63.99 -36.17 83.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.814 0.34 . . . . 0.0 111.221 179.141 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 173' ' ' ARG . . . . . . . . . . . . . 17.5 tpp85 -79.82 -36.48 36.85 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.239 175.44 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -66.42 -27.91 68.2 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.162 -178.661 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 41.6 p -60.06 -24.93 64.97 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.198 178.811 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 176' ' ' GLN . . . . . . . . . . . . . 90.6 mm-40 -102.51 7.0 40.27 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.215 -178.765 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 177' ' ' THR . . . . . 0.417 HG22 ' HG3' ' A' ' 178' ' ' GLU . 88.7 m -104.11 -52.1 3.01 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.205 -175.022 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 178' ' ' GLU . . . . . 0.417 ' HG3' HG22 ' A' ' 177' ' ' THR . 96.6 mt-10 -129.63 151.26 50.43 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.233 -178.511 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 179' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -86.67 134.38 33.61 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.15 178.273 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 180' ' ' LEU . . . . . . . . . . . . . 99.2 mt -85.3 147.09 26.72 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.204 -178.697 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 181' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -110.52 150.0 41.05 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.242 172.516 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 182' ' ' PRO . . . . . . . . . . . . . 39.2 Cg_exo -62.49 151.79 81.0 Favored 'Trans proline' 0 N--CA 1.459 -0.549 0 C-N-CA 121.691 1.594 . . . . 0.0 111.185 -178.774 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 183' ' ' PHE . . . . . . . . . . . . . 45.5 m-85 -69.82 150.44 96.52 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.164 169.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 184' ' ' PRO . . . . . . . . . . . . . 60.7 Cg_endo -63.8 -20.36 68.44 Favored 'Trans proline' 0 N--CA 1.458 -0.589 0 C-N-CA 121.734 1.623 . . . . 0.0 111.171 169.461 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 185' ' ' VAL . . . . . . . . . . . . . 90.9 t -74.96 125.02 33.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.238 177.805 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 186' ' ' SER . . . . . . . . . . . . . 82.0 p -117.92 5.94 12.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.19 179.525 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 187' ' ' HIS . . . . . . . . . . . . . 92.3 m-70 -120.71 143.52 48.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.228 -176.715 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 188' ' ' ASN . . . . . 0.58 ' HB2' ' HD3' ' A' ' 189' ' ' PRO . 97.8 m-20 -68.63 -46.55 35.01 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.146 -178.597 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 189' ' ' PRO . . . . . 0.58 ' HD3' ' HB2' ' A' ' 188' ' ' ASN . 53.8 Cg_exo -54.96 -34.38 86.32 Favored 'Trans proline' 0 N--CA 1.457 -0.632 0 C-N-CA 121.71 1.607 . . . . 0.0 111.229 177.072 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 190' ' ' SER . . . . . . . . . . . . . 71.9 m -78.62 -31.1 46.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.183 -179.855 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 191' ' ' PHE . . . . . . . . . . . . . 6.7 m-85 -65.99 -33.64 76.27 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.151 172.106 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 192' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -63.89 -36.42 83.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.182 176.091 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 193' ' ' ARG . . . . . . . . . . . . . 80.2 ttt180 -64.93 -45.82 84.22 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.151 173.646 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 194' ' ' LEU . . . . . . . . . . . . . 59.0 tp -57.03 -44.99 83.43 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.161 173.697 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 195' ' ' LEU . . . . . . . . . . . . . 44.3 tp -54.8 -51.25 66.38 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.223 179.362 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 196' ' ' VAL . . . . . . . . . . . . . 62.7 t -66.29 -47.19 85.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.22 -176.443 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 197' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -73.15 -35.12 66.41 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.203 -169.387 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 198' ' ' THR . . . . . . . . . . . . . 96.9 m -97.95 -51.36 4.08 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.185 -171.717 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 199' ' ' ILE . . . . . 0.466 ' HA ' HG12 ' A' ' 148' ' ' ILE . 96.2 mt -87.61 -54.66 7.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.206 -169.917 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 200' ' ' TYR . . . . . . . . . . . . . 16.5 m-30 -69.78 -50.2 45.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.209 -175.119 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 201' ' ' SER . . . . . 0.459 ' O ' ' NE2' ' A' ' 147' ' ' GLN . 41.1 t . . . . . 0 C--O 1.201 -1.482 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.22 178.845 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.608 0 N-CA-C 111.195 -0.762 . . . . 0.0 111.195 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' ILE . . . . . 0.414 ' HA ' ' HA3' ' A' ' 38' ' ' GLY . 93.2 mt -66.35 -31.78 55.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-O 120.86 0.362 . . . . 0.0 111.253 -177.068 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 46.9 pt -79.04 -11.88 13.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.236 -177.739 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -94.61 155.08 17.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.203 178.589 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 -85.99 97.51 10.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.176 178.814 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 75.0 mmtt -89.06 157.6 18.28 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.167 -177.094 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -122.18 134.57 54.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.155 -175.822 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 95.1 mt -97.93 143.25 28.71 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.238 174.653 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 1.2 t80 -118.06 94.97 4.7 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.196 177.458 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 93.9 t -100.23 122.87 52.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.275 -174.441 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 98.9 m -130.93 130.06 42.97 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.154 173.799 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 81.0 m -114.97 145.02 42.68 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.26 -178.109 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -79.88 172.33 54.8 Favored Glycine 0 CA--C 1.523 0.55 0 N-CA-C 111.179 -0.768 . . . . 0.0 111.179 176.948 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -93.34 -14.18 27.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.758 0.313 . . . . 0.0 111.141 -177.917 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 98.3 m -57.45 -49.51 76.02 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.223 -179.319 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.472 ' HB ' HD11 ' A' ' 21' ' ' LEU . 87.8 t -96.65 135.4 22.3 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.208 175.239 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 74.5 Cg_exo -46.67 132.21 16.45 Favored 'Trans proline' 0 N--CA 1.457 -0.662 0 C-N-CA 121.644 1.563 . . . . 0.0 111.259 -178.421 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' PHE . . . . . 0.561 ' N ' ' CD ' ' A' ' 19' ' ' PRO . 41.7 m-85 -63.52 -40.59 59.63 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.209 -175.678 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.561 ' CD ' ' N ' ' A' ' 18' ' ' PHE . 87.4 Cg_exo -51.65 -32.41 44.74 Favored 'Trans proline' 0 N--CA 1.458 -0.588 0 C-N-CA 121.789 1.66 . . . . 0.0 111.165 178.376 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 97.4 mttt -78.49 -28.52 46.4 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.192 177.47 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.472 HD11 ' HB ' ' A' ' 16' ' ' VAL . 89.4 mt -91.6 -5.12 54.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.252 -171.798 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 33.0 m -104.21 -12.74 9.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.244 175.78 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 75.7 p -68.68 -16.33 63.79 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.158 179.83 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 73.2 m -86.93 -15.92 37.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.25 -178.109 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 35.5 m -117.07 -7.97 12.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.238 -175.633 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 97.5 mt -111.99 5.2 18.63 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.203 -178.245 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 52.4 p -73.69 151.51 40.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.141 -178.407 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 98.8 m-20 -66.01 -35.24 80.02 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.185 -176.542 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 77.2 mm-40 -70.25 -42.65 71.91 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.213 178.1 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.423 ' CE2' HD11 ' A' ' 34' ' ' LEU . 90.0 t80 -59.68 -51.4 69.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.152 -178.598 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 84.4 m -63.0 -31.67 72.86 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.165 -173.93 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 65.4 tt0 -76.58 -39.66 51.96 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.178 179.832 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 65.6 mm-40 -64.66 -30.93 71.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.226 -177.528 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.423 HD11 ' CE2' ' A' ' 30' ' ' PHE . 86.2 mt -56.11 -33.0 64.7 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.224 178.866 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 95.8 mt -61.25 -39.87 84.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.183 -175.442 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 86.5 mt-30 -84.07 -13.37 53.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.131 -178.371 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 14.9 m-30 -87.9 -26.08 22.92 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.229 177.725 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' GLY . . . . . 0.414 ' HA3' ' HA ' ' A' ' 2' ' ' ILE . . . 101.53 13.78 31.76 Favored Glycine 0 CA--C 1.524 0.595 0 N-CA-C 111.142 -0.783 . . . . 0.0 111.142 179.715 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 64.8 m-85 -94.62 124.84 38.9 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.754 0.311 . . . . 0.0 111.18 179.893 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 98.4 t -120.11 -40.04 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.179 -176.883 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 43.5 ttp180 -96.04 129.93 43.18 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.203 179.865 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 64.0 tp -123.65 107.05 11.07 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.284 175.283 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 91.3 mt -103.58 122.59 56.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.175 -178.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 80.6 mt -114.84 116.1 51.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.189 -178.369 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 14.2 tm0? -109.98 104.06 12.91 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.18 -172.694 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 19.3 m-30 -110.72 178.22 4.43 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.284 178.123 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -83.91 -136.48 3.11 Favored Glycine 0 CA--C 1.524 0.639 0 N-CA-C 111.194 -0.763 . . . . 0.0 111.194 -172.685 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' ARG . . . . . 0.651 ' O ' ' HB2' ' A' ' 49' ' ' ASN . 79.4 ttt180 -74.03 88.32 1.89 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.783 0.325 . . . . 0.0 111.231 -168.393 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' ASN . . . . . 0.651 ' HB2' ' O ' ' A' ' 48' ' ' ARG . 97.0 m-20 87.12 86.15 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.162 167.24 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 97.3 m-85 -138.76 -21.71 0.98 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.23 171.692 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 50.0 m -55.97 -31.02 62.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.188 175.422 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 90.8 p -74.27 -19.68 60.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.218 179.176 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 76.6 mm-40 -81.36 -31.98 33.11 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.213 174.606 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.407 ' HA ' ' HB2' ' A' ' 57' ' ' LEU . 37.2 m-85 -65.18 -20.43 66.44 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.197 175.72 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -59.78 -29.4 68.17 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.201 176.162 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 97.5 m-70 -104.43 -21.36 13.48 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.196 -177.801 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.407 ' HB2' ' HA ' ' A' ' 54' ' ' PHE . 87.5 mt -66.45 -39.93 89.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.211 174.207 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 6.4 p -69.17 -25.47 29.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.173 177.314 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 91.2 mt-30 -72.03 -35.57 69.42 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.202 175.37 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -71.52 -31.28 66.89 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.231 173.227 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 5.7 mmp_? -79.99 -25.9 40.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.235 179.572 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 86.87 30.64 20.16 Favored Glycine 0 CA--C 1.524 0.594 0 N-CA-C 111.224 -0.751 . . . . 0.0 111.224 177.339 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -95.3 -165.83 35.17 Favored Glycine 0 CA--C 1.523 0.583 0 N-CA-C 111.254 -0.738 . . . . 0.0 111.254 178.871 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' GLN . . . . . 0.415 ' HG3' ' HG3' ' A' ' 66' ' ' GLU . 64.3 tp60 -125.12 120.03 30.26 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.769 0.318 . . . . 0.0 111.211 177.503 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 67.1 ttp85 -80.08 128.82 33.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.208 174.428 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.415 ' HG3' ' HG3' ' A' ' 64' ' ' GLN . 56.7 mt-10 -141.92 60.9 1.47 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.203 177.585 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 30.8 t -60.93 129.89 43.7 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.149 -176.556 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 92.4 mm-40 -112.99 165.01 12.75 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.221 177.261 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -84.95 81.64 8.81 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.214 176.018 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 97.4 mt -61.91 122.6 73.05 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.218 -173.336 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_exo -59.95 146.4 95.98 Favored 'Trans proline' 0 N--CA 1.458 -0.574 0 C-N-CA 121.69 1.593 . . . . 0.0 111.201 -179.163 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 96.7 mt -74.03 -42.09 52.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.247 173.147 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 98.9 m-20 -67.05 -35.02 78.96 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.139 -177.512 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 64.8 tp60 -77.38 -61.09 2.1 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.212 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 56.0 t80 -101.56 -59.72 1.65 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.234 -178.936 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 123.15 39.53 0.51 Allowed Glycine 0 CA--C 1.523 0.556 0 N-CA-C 111.167 -0.773 . . . . 0.0 111.167 -173.718 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 12.0 t -140.05 -174.7 4.0 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.821 0.343 . . . . 0.0 111.149 179.464 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -127.16 -134.0 3.89 Favored Glycine 0 CA--C 1.523 0.552 0 N-CA-C 111.194 -0.763 . . . . 0.0 111.194 176.538 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 53.3 p-10 -104.96 23.76 13.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.77 0.319 . . . . 0.0 111.219 177.669 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 59.5 p -93.8 -18.25 22.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.233 179.72 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -77.3 159.52 29.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.196 178.034 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 90.1 mmt-85 -131.35 120.02 22.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.146 -179.837 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 81.7 mt-30 -95.71 140.91 29.83 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.221 -179.352 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 76.9 m-85 -136.21 135.89 39.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.243 -175.661 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 97.5 t -103.27 117.7 49.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.24 178.621 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 91.2 mt -122.73 160.35 26.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.214 177.869 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 84.6 mmm 61.96 29.96 17.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.21 175.177 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 96.5 m-20 65.02 34.71 8.62 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.218 177.185 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 96.17 -0.88 62.36 Favored Glycine 0 CA--C 1.523 0.584 0 N-CA-C 111.213 -0.755 . . . . 0.0 111.213 174.599 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -82.1 -20.85 37.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.814 0.34 . . . . 0.0 111.157 -178.843 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 67.2 tp -127.45 120.51 28.56 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.168 175.871 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 47.1 tptt -104.1 111.06 23.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.151 176.78 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 57.7 t -110.14 124.99 67.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.162 -177.588 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 60.0 mt -126.41 122.84 62.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.207 -179.625 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -93.22 140.07 14.89 Favored Glycine 0 CA--C 1.524 0.619 0 N-CA-C 111.182 -0.767 . . . . 0.0 111.182 178.519 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 91.5 m-85 -125.56 149.76 48.06 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.828 0.347 . . . . 0.0 111.168 176.655 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 96.2 m-20 -104.31 32.25 4.14 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.208 173.433 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 7.5 m-30 -64.97 147.22 53.84 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.223 -173.565 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 60.3 p -74.9 -177.27 3.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.262 177.823 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 75.8 p -73.81 -7.23 51.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.238 174.149 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 96.4 mttt -98.75 -40.51 8.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.235 173.586 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 92.2 mtp -74.96 -15.28 60.68 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.168 -176.729 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 29.7 pt20 -63.65 -20.01 65.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.198 -179.679 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 93.3 p -66.16 -22.05 66.35 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.269 176.508 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 96.0 mt -66.6 -55.37 18.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.139 173.518 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 82.2 mt -61.77 -33.31 57.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.21 179.61 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 61.1 ttp180 -48.01 -39.64 20.28 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.211 177.161 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 98.0 m-20 -77.05 -9.85 58.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.149 -173.523 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 109' ' ' TYR . . . . . . . . . . . . . 77.6 m-85 -115.27 40.72 2.61 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.14 -175.723 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 87.2 p -140.02 154.82 47.23 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.176 -173.384 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 54.3 m-20 -116.7 -31.09 5.6 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.165 175.819 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 112' ' ' LEU . . . . . 0.406 ' C ' HD23 ' A' ' 112' ' ' LEU . 10.4 tt -138.22 130.06 28.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.181 177.962 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 95.8 t -103.6 135.36 41.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.191 -172.698 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 80.7 mt -126.9 116.77 45.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.19 -176.355 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 21.1 t -107.69 116.25 31.6 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.172 -176.03 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 116' ' ' HIS . . . . . 0.411 ' HB3' HD22 ' A' ' 21' ' ' LEU . 43.4 m170 -101.35 123.71 45.86 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.2 178.596 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . 52.86 47.8 23.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.214 172.499 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 178.37 171.35 41.59 Favored Glycine 0 CA--C 1.522 0.516 0 N-CA-C 111.17 -0.772 . . . . 0.0 111.17 179.603 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 70.9 p -132.21 -2.84 3.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.853 0.359 . . . . 0.0 111.178 -176.871 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -60.8 -34.1 85.61 Favored Glycine 0 CA--C 1.523 0.549 0 N-CA-C 111.176 -0.77 . . . . 0.0 111.176 -174.778 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 87.5 p -87.1 -10.13 53.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.775 0.321 . . . . 0.0 111.19 -174.453 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 122' ' ' ILE . . . . . . . . . . . . . 84.8 mt -74.33 -41.85 50.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.211 -173.776 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 50.5 tp -63.73 -35.38 80.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.22 176.274 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 99.6 m-20 -66.48 -38.9 88.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.182 176.005 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 31.8 t -63.98 -37.77 88.64 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.248 174.359 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 61.5 tp -63.71 -44.04 94.8 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.236 177.508 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -67.99 -33.74 75.21 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.197 176.72 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 128' ' ' LEU . . . . . 0.411 ' O ' ' HB2' ' A' ' 129' ' ' ASN . 18.0 tp -72.91 -24.67 60.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.192 174.582 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 129' ' ' ASN . . . . . 0.411 ' HB2' ' O ' ' A' ' 128' ' ' LEU . 78.5 m-20 69.57 42.32 1.14 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.199 179.711 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 39.7 mmtm -119.95 157.46 52.66 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.186 179.176 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_exo -54.4 148.82 40.67 Favored 'Trans proline' 0 N--CA 1.457 -0.622 0 C-N-CA 121.68 1.587 . . . . 0.0 111.242 178.12 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 132' ' ' LEU . . . . . 0.526 HD13 ' C ' ' A' ' 132' ' ' LEU . 3.3 tm? -139.1 114.72 9.89 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.201 -166.721 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 133' ' ' ILE . . . . . 0.426 ' HA ' ' HB2' ' A' ' 159' ' ' TRP . 76.4 mt -104.71 139.28 26.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.218 177.037 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 98.0 t -118.55 123.91 72.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.224 175.316 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 135' ' ' CYS . . . . . 0.407 ' HB3' ' HA ' ' A' ' 116' ' ' HIS . 52.6 t -103.16 127.43 50.46 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.207 177.194 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 136' ' ' VAL . . . . . 0.434 ' HA ' HG23 ' A' ' 199' ' ' ILE . 30.6 m -88.44 170.23 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.14 179.211 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 36.6 p30 -82.13 -174.97 5.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.238 179.895 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 55.2 p-10 -102.89 20.15 17.99 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.222 -169.79 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 88.4 p -103.21 -7.22 21.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.26 177.558 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 51.1 tp -79.0 122.2 25.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.255 -176.578 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 141' ' ' MET . . . . . . . . . . . . . 58.0 ttm -65.17 142.44 58.34 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.232 -179.289 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 96.8 m-20 -53.64 -35.16 60.67 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.139 -177.091 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 99.4 m-20 -65.06 -29.12 69.99 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.195 -178.916 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 144' ' ' HIS . . . . . . . . . . . . . 92.5 m-70 -100.09 -10.71 21.21 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.19 -175.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 145' ' ' GLN . . . . . . . . . . . . . 80.0 mt-30 -64.91 -44.0 91.01 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.221 176.397 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 146' ' ' GLN . . . . . . . . . . . . . 72.8 tp60 -69.67 -36.99 76.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.144 178.861 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 147' ' ' GLN . . . . . . . . . . . . . 89.3 mt-30 -64.61 -47.24 79.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.16 -178.653 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 148' ' ' ILE . . . . . . . . . . . . . 85.7 mt -70.31 -36.54 67.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.201 178.845 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -58.57 -41.78 86.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.185 174.098 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 94.0 m-20 -62.92 -38.78 92.32 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.23 176.793 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 151' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -69.38 -33.97 73.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.166 179.172 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 152' ' ' PHE . . . . . . . . . . . . . 12.2 m-30 -63.18 -36.92 85.24 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.208 174.588 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 153' ' ' VAL . . . . . . . . . . . . . 65.2 t -65.87 -38.95 83.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.207 173.289 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -64.44 -31.32 72.48 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.267 178.68 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 155' ' ' LEU . . . . . . . . . . . . . 85.1 mt -64.78 -41.89 95.51 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.188 176.681 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . 95.43 3.91 61.11 Favored Glycine 0 CA--C 1.523 0.59 0 N-CA-C 111.223 -0.751 . . . . 0.0 111.223 166.172 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 157' ' ' TYR . . . . . 0.434 ' CD2' ' O ' ' A' ' 157' ' ' TYR . 67.6 t80 -146.0 25.05 1.3 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.785 0.326 . . . . 0.0 111.173 178.826 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 158' ' ' VAL . . . . . . . . . . . . . 60.7 t -136.77 118.06 18.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.215 -177.961 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 159' ' ' TRP . . . . . 0.426 ' HB2' ' HA ' ' A' ' 133' ' ' ILE . 22.1 m95 -87.66 144.06 26.85 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.211 168.276 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 160' ' ' SER . . . . . . . . . . . . . 45.6 t -101.73 108.91 20.57 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.207 -176.446 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 161' ' ' CYS . . . . . . . . . . . . . 15.7 t -99.94 125.08 45.9 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.183 175.713 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -72.36 155.04 91.74 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.234 176.712 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 163' ' ' PRO . . . . . . . . . . . . . 86.9 Cg_endo -78.35 60.01 7.32 Favored 'Trans proline' 0 N--CA 1.458 -0.577 0 C-N-CA 121.76 1.64 . . . . 0.0 111.136 -179.241 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 164' ' ' THR . . . . . . . . . . . . . 24.1 p -133.76 -176.92 4.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.224 177.338 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 165' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -82.82 -4.09 57.58 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.155 176.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 166' ' ' THR . . . . . . . . . . . . . 75.4 p -127.09 -8.6 5.94 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.19 -176.331 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 167' ' ' GLY . . . . . . . . . . . . . . . -61.81 -38.59 96.22 Favored Glycine 0 CA--C 1.523 0.567 0 N-CA-C 111.177 -0.769 . . . . 0.0 111.177 -179.087 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 168' ' ' LEU . . . . . . . . . . . . . 26.5 tp -70.83 -31.17 67.8 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.793 0.33 . . . . 0.0 111.158 -179.428 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 96.7 mt -57.58 -44.86 85.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.188 175.598 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 170' ' ' ALA . . . . . . . . . . . . . . . -64.66 -35.08 79.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.229 178.913 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 171' ' ' GLY . . . . . . . . . . . . . . . -62.82 -42.27 99.71 Favored Glycine 0 CA--C 1.523 0.575 0 N-CA-C 111.182 -0.767 . . . . 0.0 111.182 176.855 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 85.2 mt -66.95 -34.88 78.73 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.878 0.37 . . . . 0.0 111.183 177.703 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 173' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -65.23 -38.46 90.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.254 173.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -66.49 -36.76 83.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.227 -179.379 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 60.0 p -65.04 -22.58 67.0 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.139 -179.274 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 176' ' ' GLN . . . . . . . . . . . . . 92.5 mm-40 -100.21 -27.21 13.63 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.122 -177.423 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 177' ' ' THR . . . . . . . . . . . . . 95.7 m -73.6 -47.25 41.8 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.197 178.435 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 178' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -127.75 156.93 41.66 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.152 -176.439 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 179' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -105.0 135.42 46.38 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.274 -177.468 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 180' ' ' LEU . . . . . . . . . . . . . 97.7 mt -83.2 157.82 22.57 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.186 178.806 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 181' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -109.5 158.75 33.78 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.245 176.671 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 182' ' ' PRO . . . . . . . . . . . . . 75.5 Cg_exo -52.66 117.61 3.86 Favored 'Trans proline' 0 N--CA 1.457 -0.618 0 C-N-CA 121.712 1.608 . . . . 0.0 111.211 178.44 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 183' ' ' PHE . . . . . 0.462 ' CE2' ' HB ' ' A' ' 185' ' ' VAL . 2.7 t80 -70.0 113.05 14.71 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.189 -175.103 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 184' ' ' PRO . . . . . . . . . . . . . 76.6 Cg_exo -54.97 -35.87 90.92 Favored 'Trans proline' 0 N--CA 1.458 -0.576 0 C-N-CA 121.724 1.616 . . . . 0.0 111.15 -178.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 185' ' ' VAL . . . . . 0.462 ' HB ' ' CE2' ' A' ' 183' ' ' PHE . 69.7 t -80.64 129.49 37.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.148 -176.361 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 186' ' ' SER . . . . . . . . . . . . . 89.6 p -135.01 5.88 3.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.146 176.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 187' ' ' HIS . . . . . . . . . . . . . 96.0 m-70 -94.35 138.57 32.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.138 -175.66 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 188' ' ' ASN . . . . . 0.597 ' HB2' ' HD3' ' A' ' 189' ' ' PRO . 99.1 m-20 -62.99 -46.58 87.16 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.259 -177.516 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 189' ' ' PRO . . . . . 0.597 ' HD3' ' HB2' ' A' ' 188' ' ' ASN . 56.1 Cg_exo -54.94 -36.84 93.13 Favored 'Trans proline' 0 N--CA 1.457 -0.64 0 C-N-CA 121.704 1.602 . . . . 0.0 111.215 177.308 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 190' ' ' SER . . . . . . . . . . . . . 74.6 m -71.87 -39.77 69.43 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.263 179.082 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 191' ' ' PHE . . . . . . . . . . . . . 33.4 m-85 -60.66 -33.29 72.6 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.174 174.669 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 192' ' ' GLU . . . . . 0.407 ' HA ' ' HB ' ' A' ' 196' ' ' VAL . 88.3 tt0 -67.98 -49.84 59.25 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.183 179.658 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 193' ' ' ARG . . . . . . . . . . . . . 41.9 mmt180 -75.57 -26.64 58.1 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.232 -172.603 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 194' ' ' LEU . . . . . . . . . . . . . 97.2 mt -88.39 -53.82 4.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.269 -177.73 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 195' ' ' LEU . . . . . . . . . . . . . 92.4 mt -101.85 -59.0 1.77 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.195 -169.067 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 196' ' ' VAL . . . . . 0.407 ' HB ' ' HA ' ' A' ' 192' ' ' GLU . 61.9 t -51.11 -48.17 30.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.193 -170.48 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 197' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -61.2 -33.25 73.16 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.174 179.912 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 198' ' ' THR . . . . . . . . . . . . . 72.5 p -91.99 -14.29 29.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.19 -176.33 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 199' ' ' ILE . . . . . 0.434 HG23 ' HA ' ' A' ' 136' ' ' VAL . 90.7 mt -80.61 -40.21 19.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.205 175.135 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 200' ' ' TYR . . . . . . . . . . . . . 22.3 m-30 -91.15 -12.8 34.37 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.104 -175.814 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 201' ' ' SER . . . . . . . . . . . . . 40.7 t . . . . . 0 C--O 1.199 -1.568 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.249 179.925 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.605 0 N-CA-C 111.204 -0.758 . . . . 0.0 111.204 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 48.0 pt -102.0 -9.74 9.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.846 0.355 . . . . 0.0 111.201 -179.495 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 97.5 mt -104.95 -55.07 5.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.235 177.279 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 87.9 tt0 -91.9 147.51 22.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.192 177.109 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 61.3 mt-10 -52.8 110.0 0.47 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.223 178.115 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 36.4 ttmt -54.72 120.18 6.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.127 -178.388 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.431 ' HA ' ' O ' ' A' ' 41' ' ' ARG . . . -107.83 131.47 54.45 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.185 -165.92 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 59.5 tp -118.17 115.69 25.3 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.237 -177.964 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 86.8 t80 -93.93 125.18 38.4 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.194 -175.372 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 72.7 t -107.17 109.55 28.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.215 174.109 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 88.2 m -69.11 134.28 49.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.232 -179.651 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 77.9 m -131.66 65.41 1.57 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.197 171.556 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -85.44 -164.92 39.62 Favored Glycine 0 CA--C 1.522 0.503 0 N-CA-C 111.195 -0.762 . . . . 0.0 111.195 -175.304 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -67.52 -25.81 66.02 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.816 0.341 . . . . 0.0 111.206 -175.89 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 71.4 p -105.48 4.79 30.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.204 -176.157 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 59.9 t -124.73 104.24 30.7 Favored Pre-proline 0 C--N 1.328 -0.36 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.18 179.52 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.416 ' HB2' ' HB2' ' A' ' 20' ' ' LYS . 50.4 Cg_exo -55.77 141.7 84.37 Favored 'Trans proline' 0 N--CA 1.458 -0.573 0 C-N-CA 121.708 1.605 . . . . 0.0 111.187 177.893 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' PHE . . . . . 0.556 ' HB3' ' HD3' ' A' ' 19' ' ' PRO . 51.1 t80 -65.8 -52.23 43.41 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.216 -173.229 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.556 ' HD3' ' HB3' ' A' ' 18' ' ' PHE . 70.3 Cg_endo -75.48 -21.67 14.75 Favored 'Trans proline' 0 N--CA 1.457 -0.639 0 C-N-CA 121.699 1.599 . . . . 0.0 111.251 -172.556 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.416 ' HB2' ' HB2' ' A' ' 17' ' ' PRO . 87.6 tttt -55.17 -44.01 74.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.216 -175.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 75.3 mt -109.85 -34.44 6.44 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.24 -174.023 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 53.7 t -69.1 -45.88 79.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.177 -173.197 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 59.6 p -66.98 -16.42 64.34 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.192 -176.435 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' CYS . . . . . 0.475 ' SG ' ' HB3' ' A' ' 165' ' ' GLU . 80.9 m -90.96 -45.85 8.5 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.217 177.882 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 55.4 t -60.78 -29.87 46.03 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.229 177.085 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 77.6 mt -98.96 16.31 22.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.163 -178.344 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 48.8 p -73.37 163.69 27.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.216 175.46 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 99.2 m-20 -62.01 -31.36 71.74 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.177 178.449 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -76.65 -47.36 22.41 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.262 -178.95 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 7.6 m-85 -65.7 -44.94 84.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.215 -177.406 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 63.9 m -60.65 -41.79 95.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.223 -178.779 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 66.6 tt0 -61.63 -45.98 91.74 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.154 176.419 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 73.1 mm-40 -64.74 -37.85 88.99 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.165 179.17 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 69.5 mt -65.78 -41.42 92.03 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.233 -177.24 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 35.8 mm -57.91 -38.04 64.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.25 173.729 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 99.3 mm-40 -75.0 -25.76 59.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.193 177.643 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 21.9 m-30 -87.8 -8.9 55.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.219 179.809 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 100.95 -3.66 55.8 Favored Glycine 0 CA--C 1.524 0.598 0 N-CA-C 111.218 -0.753 . . . . 0.0 111.218 174.044 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 83.2 m-85 -81.92 117.85 22.49 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.843 0.354 . . . . 0.0 111.164 -178.346 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 30.2 m -131.49 -6.78 2.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.112 -173.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 0.431 ' O ' ' HA ' ' A' ' 7' ' ' ALA . 35.6 ttm180 -123.05 92.42 3.7 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.138 178.861 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.416 ' HB2' HG22 ' A' ' 93' ' ' VAL . 30.2 mt -92.57 135.15 34.32 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.21 -176.232 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 86.0 mt -115.37 113.4 43.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.152 -176.267 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 47.6 mm -112.74 113.76 45.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.23 -174.189 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 59.9 tt0 -76.14 126.91 31.86 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.176 174.38 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 8.6 m-30 -73.25 140.44 46.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.246 175.088 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -95.1 -146.69 21.32 Favored Glycine 0 CA--C 1.524 0.619 0 N-CA-C 111.126 -0.79 . . . . 0.0 111.126 178.32 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' ARG . . . . . 0.663 ' O ' ' CB ' ' A' ' 49' ' ' ASN . 59.0 ttt85 -81.81 60.07 4.54 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.833 0.349 . . . . 0.0 111.267 178.595 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 49' ' ' ASN . . . . . 0.663 ' CB ' ' O ' ' A' ' 48' ' ' ARG . 60.7 t30 106.92 67.99 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.189 172.157 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 98.5 m-85 -134.83 14.12 3.64 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.143 178.512 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 74.3 m -61.13 -47.56 85.67 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.196 176.423 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 93.9 p -82.5 -20.85 35.97 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.241 179.468 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 77.0 mm-40 -69.12 -42.96 75.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.186 177.718 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.508 ' CD1' ' O ' ' A' ' 54' ' ' PHE . 1.1 t80 -68.1 -39.83 82.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.213 173.014 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 83.0 tt0 -52.94 -39.86 63.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.198 173.68 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 62.8 m170 -66.93 -34.85 78.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.222 -179.156 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 91.7 mt -63.06 -33.7 76.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.226 -176.908 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.401 HG21 ' HB3' ' A' ' 84' ' ' TYR . 96.2 t -96.67 -36.73 6.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.17 -176.13 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 72.8 tp60 -64.9 -37.9 89.19 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.193 179.554 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -71.23 -30.82 66.82 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.2 177.245 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -71.98 -28.89 63.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.257 174.114 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 89.78 29.31 16.18 Favored Glycine 0 CA--C 1.523 0.541 0 N-CA-C 111.157 -0.777 . . . . 0.0 111.157 179.377 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -86.1 -168.28 44.59 Favored Glycine 0 CA--C 1.523 0.554 0 N-CA-C 111.268 -0.733 . . . . 0.0 111.268 179.058 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 97.7 mm-40 -109.69 165.28 11.8 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.838 0.351 . . . . 0.0 111.225 178.439 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 47.6 ptt85 -167.31 154.71 8.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.179 -176.087 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 88.3 tt0 -159.7 130.9 5.96 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.234 177.8 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 74.6 m -69.89 145.29 52.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.141 -178.665 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 91.8 mm-40 -124.89 145.11 49.98 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.169 -173.625 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -93.41 70.29 4.31 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.221 176.464 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 41.4 mm -71.28 131.17 86.98 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.202 -176.007 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -72.71 139.81 31.41 Favored 'Trans proline' 0 N--CA 1.458 -0.586 0 C-N-CA 121.706 1.604 . . . . 0.0 111.17 -176.464 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 96.4 mt -82.88 -43.03 18.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.191 178.438 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 99.1 m-20 -68.09 -40.09 82.73 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.168 -177.681 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 71.3 tp60 -85.03 -65.35 1.02 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.213 -176.909 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 48.2 t80 -80.73 -45.72 16.63 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.212 -171.195 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 115.68 16.0 7.17 Favored Glycine 0 CA--C 1.522 0.528 0 N-CA-C 111.205 -0.758 . . . . 0.0 111.205 170.761 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 77' ' ' CYS . . . . . 0.469 ' SG ' HD12 ' A' ' 106' ' ' ILE . 86.9 m -131.27 160.09 35.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.76 0.314 . . . . 0.0 111.192 179.599 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -77.22 178.93 50.97 Favored Glycine 0 CA--C 1.523 0.558 0 N-CA-C 111.187 -0.765 . . . . 0.0 111.187 -178.4 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 58.8 p-10 -92.31 15.12 14.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.797 0.332 . . . . 0.0 111.175 -176.654 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 73.4 p -92.75 2.63 56.64 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.159 174.539 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -66.46 154.56 39.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.173 176.221 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 41.4 ttm180 -145.88 132.73 20.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.216 -176.956 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 59.8 tt0 -84.72 135.59 34.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.166 176.353 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 84' ' ' TYR . . . . . 0.401 ' HB3' HG21 ' A' ' 58' ' ' VAL . 97.0 m-85 -120.15 147.28 45.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.21 174.62 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 92.8 t -113.76 118.78 59.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.163 -174.513 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 94.9 mt -125.13 169.64 11.99 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.19 179.724 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 97.3 mmm 60.03 30.01 19.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.172 176.834 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 96.4 m-20 64.88 34.58 9.08 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.194 176.019 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 97.32 -5.06 62.65 Favored Glycine 0 CA--C 1.523 0.547 0 N-CA-C 111.247 -0.741 . . . . 0.0 111.247 175.102 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -80.01 -25.7 40.15 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.781 0.324 . . . . 0.0 111.219 -178.713 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 46.1 tp -119.91 123.84 44.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.142 -176.765 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -105.13 116.34 31.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.166 176.099 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 93' ' ' VAL . . . . . 0.416 HG22 ' HB2' ' A' ' 42' ' ' LEU . 39.2 t -121.76 114.58 43.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.134 -179.501 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 67.3 mt -113.1 125.71 70.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.17 -174.921 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -88.48 132.02 10.99 Favored Glycine 0 CA--C 1.524 0.619 0 N-CA-C 111.228 -0.749 . . . . 0.0 111.228 174.954 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 95.9 m-85 -119.4 145.65 46.04 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.773 0.32 . . . . 0.0 111.151 -174.665 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 65.8 t0 -105.9 102.74 12.16 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.233 176.646 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 39.0 p90 -159.53 155.04 25.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.209 -178.422 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 59.8 p -85.58 -178.53 6.69 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.243 -173.225 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 82.7 p -73.5 -14.65 61.26 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.2 179.6 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -85.39 -10.69 55.92 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.128 177.905 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 67.5 mtt -105.0 3.05 30.19 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.164 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 90.0 mt-30 -65.77 -41.89 91.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.167 179.449 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 65.1 m -61.47 -32.47 72.48 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.188 178.212 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 96.5 mt -71.74 -50.3 39.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.256 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 106' ' ' ILE . . . . . 0.469 HD12 ' SG ' ' A' ' 77' ' ' CYS . 17.8 tt -70.37 -21.29 23.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.143 -177.104 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 96.1 mtt180 -72.08 -10.49 59.85 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.113 178.889 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -75.55 -12.49 60.23 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.144 170.718 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 109' ' ' TYR . . . . . . . . . . . . . 94.0 m-85 -112.44 36.99 3.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.22 179.886 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 110' ' ' SER . . . . . 0.4 ' HA ' ' HB3' ' A' ' 7' ' ' ALA . 91.7 p -145.11 160.05 42.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.213 -177.434 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 64.7 m-20 -110.56 -39.66 4.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.213 -179.225 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 59.4 tp -125.99 121.98 34.61 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.207 177.118 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 99.1 t -94.86 136.05 27.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.219 -179.295 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 86.3 mt -112.24 124.75 69.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.232 172.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 43.1 t -140.06 143.12 36.19 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.215 174.408 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 52.3 t-80 -76.72 153.19 35.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.191 161.656 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -61.41 135.44 57.69 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.2 176.014 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 111.7 32.74 2.4 Favored Glycine 0 CA--C 1.524 0.636 0 N-CA-C 111.196 -0.762 . . . . 0.0 111.196 177.15 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 43.8 p -125.03 -26.69 3.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.773 0.321 . . . . 0.0 111.199 -179.536 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 79.73 10.05 86.16 Favored Glycine 0 CA--C 1.523 0.536 0 N-CA-C 111.18 -0.768 . . . . 0.0 111.18 -175.922 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 68.9 m -70.59 -20.14 62.8 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.821 0.343 . . . . 0.0 111.19 -173.937 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 122' ' ' ILE . . . . . . . . . . . . . 7.8 tp -53.11 -30.84 17.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.146 176.115 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 98.2 mt -82.25 -24.4 34.81 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.208 178.915 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 35.8 t70 -74.65 -42.37 58.64 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.247 174.941 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 83.0 p -65.16 -25.4 67.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.23 177.125 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 65.7 tp -64.76 -55.37 20.24 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.175 175.81 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 37.6 ptt180 -68.52 -20.32 64.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.209 -179.861 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 97.7 mt -83.65 -26.79 29.6 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.187 172.178 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 77.7 m-20 61.41 39.23 15.4 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.132 -174.458 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 96.6 mttt -121.03 145.68 42.28 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.191 -172.204 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 77.2 Cg_exo -55.0 143.68 72.0 Favored 'Trans proline' 0 N--CA 1.457 -0.631 0 C-N-CA 121.673 1.582 . . . . 0.0 111.296 -179.266 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 58.1 tp -139.32 120.25 14.46 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.229 -176.357 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 89.9 mt -81.71 124.92 39.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.227 166.931 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 95.4 t -116.64 111.57 35.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.221 179.405 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 135' ' ' CYS . . . . . . . . . . . . . 50.0 t -92.51 115.52 28.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.201 176.035 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 25.5 m -77.18 161.11 4.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.167 -171.603 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 46.3 p30 -85.1 -174.95 5.53 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.149 177.857 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 57.0 p-10 -97.88 10.74 39.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.219 -172.748 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 78.5 p -91.83 -16.12 27.21 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.218 176.887 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 48.7 tp -80.74 129.43 34.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.203 -179.583 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 141' ' ' MET . . . . . . . . . . . . . 59.5 ttm -60.77 139.85 57.77 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.145 -178.726 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 98.8 m-20 -53.52 -39.19 64.44 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.267 -176.882 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 99.6 m-20 -68.42 -29.11 67.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.225 177.69 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 144' ' ' HIS . . . . . . . . . . . . . 64.2 m170 -86.12 -16.41 38.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.226 -178.831 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 145' ' ' GLN . . . . . . . . . . . . . 80.9 mt-30 -69.12 -32.86 72.55 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.198 175.791 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 146' ' ' GLN . . . . . . . . . . . . . 90.1 mt-30 -82.91 -36.22 25.45 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.223 176.555 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 147' ' ' GLN . . . . . . . . . . . . . 72.1 tp60 -67.52 -43.05 81.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.13 179.221 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 148' ' ' ILE . . . . . 0.404 HG12 ' CE1' ' A' ' 152' ' ' PHE . 12.9 tt -69.93 -25.38 27.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.25 -179.139 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -64.91 -41.89 95.19 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.203 175.451 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 99.5 m-20 -64.99 -30.93 71.95 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.174 176.515 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 151' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -71.39 -33.04 69.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.232 175.603 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 152' ' ' PHE . . . . . 0.404 ' CE1' HG12 ' A' ' 148' ' ' ILE . 11.8 m-30 -72.97 -28.17 62.25 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.259 176.826 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 153' ' ' VAL . . . . . . . . . . . . . 53.6 t -61.09 -35.73 67.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.245 169.771 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 76.6 mm-40 -69.31 -30.14 68.14 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.154 177.2 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 155' ' ' LEU . . . . . 0.419 HD11 ' HB2' ' A' ' 195' ' ' LEU . 82.9 mt -64.71 -26.82 68.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.173 177.468 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . 105.34 -31.39 8.56 Favored Glycine 0 CA--C 1.523 0.586 0 N-CA-C 111.192 -0.763 . . . . 0.0 111.192 164.143 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 157' ' ' TYR . . . . . 0.422 ' HA ' ' HB3' ' A' ' 180' ' ' LEU . 17.4 p90 -139.08 8.14 2.48 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.839 0.352 . . . . 0.0 111.194 -173.24 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 158' ' ' VAL . . . . . . . . . . . . . 58.7 t -109.06 140.07 29.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.226 -178.75 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 159' ' ' TRP . . . . . . . . . . . . . 66.2 t-105 -133.45 133.09 41.86 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.206 177.709 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 160' ' ' SER . . . . . . . . . . . . . 30.0 t -83.22 130.19 35.07 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.206 177.686 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 161' ' ' CYS . . . . . . . . . . . . . 88.6 m -115.02 149.09 38.0 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.211 172.01 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -60.28 156.34 40.83 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.178 -175.575 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 163' ' ' PRO . . . . . . . . . . . . . 78.3 Cg_endo -74.95 70.27 5.3 Favored 'Trans proline' 0 N--CA 1.459 -0.555 0 C-N-CA 121.675 1.583 . . . . 0.0 111.204 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 164' ' ' THR . . . . . . . . . . . . . 14.8 t -152.63 169.07 23.6 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.217 178.89 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 165' ' ' GLU . . . . . 0.475 ' HB3' ' SG ' ' A' ' 24' ' ' CYS . 98.6 mt-10 -71.25 -32.68 69.02 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.156 -168.363 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 166' ' ' THR . . . . . . . . . . . . . 62.2 p -112.17 24.33 12.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.175 -174.647 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 167' ' ' GLY . . . . . . . . . . . . . . . -79.97 -9.67 86.44 Favored Glycine 0 CA--C 1.523 0.542 0 N-CA-C 111.167 -0.773 . . . . 0.0 111.167 -179.679 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 168' ' ' LEU . . . . . . . . . . . . . 93.5 mt -64.25 -25.89 68.26 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.782 0.325 . . . . 0.0 111.177 -175.149 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 169' ' ' ILE . . . . . 0.4 HD12 ' HA ' ' A' ' 169' ' ' ILE . 10.4 tp -62.92 -22.83 31.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.147 -175.788 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 170' ' ' ALA . . . . . . . . . . . . . . . -64.99 -42.59 94.39 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.194 177.503 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 171' ' ' GLY . . . . . . . . . . . . . . . -76.49 -33.29 48.43 Favored Glycine 0 CA--C 1.522 0.531 0 N-CA-C 111.222 -0.751 . . . . 0.0 111.222 179.129 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 98.1 mt -65.78 -36.6 83.98 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.855 0.36 . . . . 0.0 111.271 177.233 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 173' ' ' ARG . . . . . . . . . . . . . 79.4 ttt180 -72.83 -38.57 67.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.157 173.504 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -61.3 -35.54 77.62 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.182 -178.358 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 52.5 p -63.17 -23.72 67.56 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.216 179.18 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 176' ' ' GLN . . . . . . . . . . . . . 92.5 mm-40 -100.88 -25.7 14.0 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.236 -178.453 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 177' ' ' THR . . . . . . . . . . . . . 90.5 m -65.98 -41.21 91.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.24 177.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 178' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -148.16 135.79 20.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.196 -179.881 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 179' ' ' LYS . . . . . . . . . . . . . 88.9 tttt -58.03 121.18 9.99 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.138 178.121 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 180' ' ' LEU . . . . . 0.422 ' HB3' ' HA ' ' A' ' 157' ' ' TYR . 97.4 mt -84.86 137.42 33.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.181 -179.579 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 181' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -131.99 154.14 81.61 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.158 -172.339 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 182' ' ' PRO . . . . . . . . . . . . . 50.1 Cg_exo -55.76 148.92 52.97 Favored 'Trans proline' 0 N--CA 1.458 -0.604 0 C-N-CA 121.606 1.537 . . . . 0.0 111.252 177.915 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 183' ' ' PHE . . . . . 0.433 ' CE2' ' HB ' ' A' ' 185' ' ' VAL . 15.8 t80 -55.64 115.08 8.54 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.271 178.658 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 184' ' ' PRO . . . . . . . . . . . . . 82.0 Cg_exo -58.54 -39.01 86.97 Favored 'Trans proline' 0 N--CA 1.459 -0.543 0 C-N-CA 121.637 1.558 . . . . 0.0 111.198 -172.143 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 185' ' ' VAL . . . . . 0.433 ' HB ' ' CE2' ' A' ' 183' ' ' PHE . 88.5 t -82.96 124.19 39.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.196 -174.196 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 186' ' ' SER . . . . . . . . . . . . . 96.4 p -76.67 -19.53 57.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.255 -172.218 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 187' ' ' HIS . . . . . . . . . . . . . 97.2 m-70 -64.04 130.7 45.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.213 -179.704 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 188' ' ' ASN . . . . . 0.526 ' N ' ' CD ' ' A' ' 189' ' ' PRO . 99.5 m-20 -71.55 -43.33 11.8 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.136 -179.711 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 189' ' ' PRO . . . . . 0.526 ' CD ' ' N ' ' A' ' 188' ' ' ASN . 72.6 Cg_exo -54.86 -39.67 89.0 Favored 'Trans proline' 0 N--CA 1.457 -0.621 0 C-N-CA 121.75 1.633 . . . . 0.0 111.217 -179.614 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 190' ' ' SER . . . . . . . . . . . . . 73.2 m -64.81 -45.25 87.02 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.254 178.849 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 191' ' ' PHE . . . . . . . . . . . . . 87.7 t80 -58.52 -48.83 79.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.214 177.076 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 192' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -69.91 -34.48 73.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.223 -174.27 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 193' ' ' ARG . . . . . . . . . . . . . 80.0 ttt180 -54.63 -36.29 64.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.19 -174.597 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 194' ' ' LEU . . . . . . . . . . . . . 98.2 mt -78.55 -38.37 40.56 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.186 -168.59 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 195' ' ' LEU . . . . . 0.486 HD23 ' C ' ' A' ' 195' ' ' LEU . 8.5 tt -119.27 -50.29 2.35 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.249 -173.81 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 196' ' ' VAL . . . . . . . . . . . . . 76.7 t -67.69 -35.38 72.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.251 -172.585 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 197' ' ' GLU . . . . . . . . . . . . . 75.2 mm-40 -92.06 11.14 26.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.194 -179.738 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 198' ' ' THR . . . . . . . . . . . . . 80.4 p -122.53 -23.22 5.23 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.185 175.966 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 199' ' ' ILE . . . . . . . . . . . . . 67.2 mt -115.03 -42.54 3.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.159 178.461 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 200' ' ' TYR . . . . . . . . . . . . . 95.8 m-85 -104.97 16.02 26.68 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.199 -173.901 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 201' ' ' SER . . . . . . . . . . . . . 41.2 t . . . . . 0 C--O 1.199 -1.57 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.151 179.041 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.617 0 N-CA-C 111.2 -0.76 . . . . 0.0 111.2 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' ILE . . . . . 0.423 HG23 HG13 ' A' ' 3' ' ' ILE . 10.8 tp -73.44 -33.01 38.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.774 0.321 . . . . 0.0 111.213 -178.64 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.423 HG13 HG23 ' A' ' 2' ' ' ILE . 97.6 mt -129.76 100.13 5.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.203 173.506 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -119.71 -29.56 5.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.22 175.721 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 33.8 mt-10 -111.61 175.87 5.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.159 -170.72 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 43.6 tptt -50.04 109.99 0.35 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.204 -171.854 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -109.11 128.21 54.8 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.131 -167.354 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 61.2 tp -109.05 111.58 23.3 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.187 176.57 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' PHE . . . . . 0.469 ' HA ' ' HB ' ' A' ' 43' ' ' ILE . 43.9 t80 -89.82 110.02 20.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.208 -176.111 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 62.1 t -115.86 127.29 73.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.226 178.849 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 30.8 m -124.45 129.99 51.66 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.231 169.654 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 95.6 m -81.63 146.14 30.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.224 -177.221 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -80.54 176.58 54.63 Favored Glycine 0 CA--C 1.523 0.539 0 N-CA-C 111.211 -0.756 . . . . 0.0 111.211 178.144 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -92.42 -15.66 26.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.79 0.328 . . . . 0.0 111.247 -177.455 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 69.4 m -61.79 -44.71 96.34 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.162 -177.618 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 84.9 t -109.94 135.02 20.51 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.125 -178.776 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 81.6 Cg_exo -48.95 137.82 27.73 Favored 'Trans proline' 0 N--CA 1.458 -0.571 0 C-N-CA 121.748 1.632 . . . . 0.0 111.188 179.208 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' PHE . . . . . 0.54 ' N ' ' CD ' ' A' ' 19' ' ' PRO . 84.3 t80 -60.22 -42.34 89.02 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.188 -176.93 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.54 ' CD ' ' N ' ' A' ' 18' ' ' PHE . 76.8 Cg_exo -53.14 -29.92 47.93 Favored 'Trans proline' 0 N--CA 1.458 -0.592 0 C-N-CA 121.731 1.621 . . . . 0.0 111.133 178.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -86.29 -36.19 19.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.187 -179.92 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 81.6 mt -76.16 -28.93 57.55 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.228 -177.746 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 3.4 p -75.47 -22.98 16.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.169 -177.005 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 60.2 p -76.6 -14.94 59.95 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.197 177.957 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 76.3 m -85.01 -15.0 45.65 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.231 -179.375 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 33.2 m -111.79 -11.63 11.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.245 178.207 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 90.6 mt -101.1 6.59 43.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.262 173.131 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 3.6 t -60.02 141.69 55.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.146 174.884 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 86.0 m-20 -63.1 -40.35 97.38 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.199 176.127 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -69.04 -39.03 79.42 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.226 178.117 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 73.6 t80 -59.4 -48.75 80.45 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.203 174.524 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 68.9 m -65.47 -39.16 91.65 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.268 -177.369 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 72.4 tp60 -62.48 -45.22 94.01 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.236 177.466 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 61.4 mm-40 -68.25 -38.19 81.55 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.211 176.707 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 43.4 tp -60.15 -40.75 90.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.221 179.458 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 92.9 mt -62.65 -39.96 86.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.261 171.938 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 71.9 tp60 -62.75 -30.03 71.14 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.24 178.041 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 26.4 m-85 -85.96 1.56 49.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.222 -179.34 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 84.75 19.82 59.13 Favored Glycine 0 CA--C 1.523 0.553 0 N-CA-C 111.186 -0.765 . . . . 0.0 111.186 168.796 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 68.0 m-85 -94.63 145.16 25.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.798 0.333 . . . . 0.0 111.173 178.331 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 84.4 t -116.36 -40.1 2.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.206 -171.71 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 88.3 mtt180 -123.02 103.71 8.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.215 -172.086 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 57.9 tp -78.43 113.81 16.76 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.218 175.17 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.469 ' HB ' ' HA ' ' A' ' 9' ' ' PHE . 96.8 mt -94.8 124.6 47.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.212 179.79 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 76.9 mt -113.78 100.42 10.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.245 176.254 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 69.9 tp60 -105.51 98.04 7.8 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.137 -176.042 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 75.9 t80 -120.17 130.01 54.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.211 -174.771 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -78.12 164.61 51.48 Favored Glycine 0 CA--C 1.523 0.56 0 N-CA-C 111.18 -0.768 . . . . 0.0 111.18 -176.064 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 76.8 ttt180 75.03 -95.04 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.78 0.324 . . . . 0.0 111.236 177.631 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 61.0 t-20 -133.41 93.16 3.1 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.2 -172.639 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 41.1 t80 -79.55 130.21 35.18 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.132 176.262 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 30.8 t -57.32 109.59 0.7 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.153 175.03 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 58.3 m -110.72 34.08 4.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.143 -169.484 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 22.9 tt0 -144.79 85.56 1.77 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.226 173.752 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 21.7 m-30 -109.12 29.56 7.39 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.212 172.882 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 79.5 tt0 -60.37 -37.72 81.63 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.186 177.061 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 51.0 p-80 -66.08 -23.49 66.53 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.206 179.064 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 59.2 tp -75.63 -55.04 6.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.146 177.489 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 19.1 m -67.65 -22.43 28.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.197 -177.724 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 72.0 tp60 -61.5 -33.87 74.53 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.192 175.782 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 95.4 mt-10 -90.65 -28.05 18.64 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.212 179.747 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 10.9 mpt_? -90.33 4.26 51.3 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.177 -175.55 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 74.99 39.29 38.33 Favored Glycine 0 CA--C 1.524 0.601 0 N-CA-C 111.144 -0.783 . . . . 0.0 111.144 169.367 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -135.43 -174.37 13.38 Favored Glycine 0 CA--C 1.523 0.547 0 N-CA-C 111.151 -0.78 . . . . 0.0 111.151 178.957 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 94.4 mm-40 -119.97 -179.98 4.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.868 0.365 . . . . 0.0 111.183 178.431 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 8.1 ppt_? -140.53 149.76 42.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.173 175.735 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 42.6 tt0 -152.4 130.72 12.05 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.206 -178.274 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 29.0 t -87.09 127.22 35.13 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.135 172.621 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 87.6 mt-30 -125.92 152.61 45.39 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.241 -171.602 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -115.14 110.15 19.09 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.258 175.481 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 46.6 mm -101.14 132.85 21.43 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.149 -165.929 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_exo -50.04 124.55 12.91 Favored 'Trans proline' 0 N--CA 1.459 -0.523 0 C-N-CA 121.677 1.585 . . . . 0.0 111.138 175.026 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 96.8 mt -73.45 -46.17 49.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.21 -176.275 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 99.4 m-20 -63.92 -38.15 90.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.208 -175.76 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 70.8 tp60 -78.2 -46.66 19.88 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.187 -174.603 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 85.2 m-85 -113.8 -23.65 9.55 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.255 -166.743 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 93.96 -7.04 73.33 Favored Glycine 0 CA--C 1.524 0.596 0 N-CA-C 111.206 -0.758 . . . . 0.0 111.206 177.627 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 77.2 m -95.08 155.07 16.88 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.828 0.347 . . . . 0.0 111.178 -179.131 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -97.37 -148.98 24.78 Favored Glycine 0 CA--C 1.523 0.543 0 N-CA-C 111.214 -0.754 . . . . 0.0 111.214 -174.071 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 53.5 p-10 -99.72 14.14 31.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.81 0.338 . . . . 0.0 111.234 -171.391 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 64.6 p -127.57 70.47 1.32 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.201 176.192 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -112.41 122.23 47.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.198 173.79 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 8.9 mmm180 -103.6 116.67 32.79 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.184 -175.746 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 35.7 tt0 -92.9 124.87 37.19 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.163 177.257 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 93.7 m-85 -124.96 143.81 50.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.2 175.486 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 98.6 t -111.6 123.31 67.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.243 176.286 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 94.3 mt -121.87 167.15 13.37 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.162 178.847 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 70.4 mmm 60.91 34.77 19.43 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.183 173.522 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 77.3 m-20 58.96 34.94 23.89 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.208 177.733 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 94.02 4.53 63.09 Favored Glycine 0 CA--C 1.523 0.567 0 N-CA-C 111.226 -0.75 . . . . 0.0 111.226 172.932 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -86.34 -18.94 30.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.756 0.312 . . . . 0.0 111.192 -178.286 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 53.0 tp -136.51 134.87 38.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.205 176.969 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 92.6 mttt -105.44 146.71 29.14 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.168 174.733 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 91.1 t -129.64 124.24 58.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.196 177.879 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 45.1 mm -114.68 113.98 45.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.232 178.19 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -102.43 146.67 16.91 Favored Glycine 0 CA--C 1.523 0.554 0 N-CA-C 111.218 -0.753 . . . . 0.0 111.218 179.203 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 90.2 m-85 -126.47 131.66 51.61 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.766 0.317 . . . . 0.0 111.161 178.393 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 57.7 t0 -115.1 88.32 2.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.213 -177.647 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 87.0 m-85 -134.29 -176.74 4.3 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.229 -178.803 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 72.8 p -76.61 -179.13 5.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.169 175.113 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 82.3 p -78.36 -7.67 57.57 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.256 179.372 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -88.13 -7.84 56.32 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.234 179.512 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 95.2 mtp -114.94 34.92 4.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.202 -179.772 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 28.7 mm100 -86.7 -16.39 36.62 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.159 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 104' ' ' SER . . . . . 0.501 ' O ' ' HB ' ' A' ' 105' ' ' ILE . 12.0 t -94.96 -164.46 1.17 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.202 -177.658 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 105' ' ' ILE . . . . . 0.501 ' HB ' ' O ' ' A' ' 104' ' ' SER . 86.6 mt 73.64 -65.03 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.183 178.237 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 95.8 mt -57.29 -28.94 31.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.205 -177.17 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 93.1 mtm-85 -59.89 -30.1 68.79 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.186 178.41 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -67.2 -21.57 65.76 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.176 179.2 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 109' ' ' TYR . . . . . . . . . . . . . 62.9 m-85 -96.59 -8.9 30.6 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.171 -177.054 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 83.5 p -86.01 169.71 12.95 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.249 -176.863 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 61.8 m-20 -110.77 -40.07 4.66 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.23 178.301 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 53.5 tp -127.46 129.95 48.39 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.207 175.655 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 94.9 t -108.19 120.38 59.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.234 -177.156 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 114' ' ' ILE . . . . . 0.438 HG12 ' HB ' ' A' ' 133' ' ' ILE . 85.3 mt -103.85 117.1 48.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.194 170.346 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 49.7 m -121.1 135.93 55.08 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.246 -177.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 116' ' ' HIS . . . . . 0.446 ' HA ' ' HB2' ' A' ' 135' ' ' CYS . 24.9 m170 -87.81 146.51 25.58 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.186 175.416 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -63.05 129.73 41.62 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.197 176.938 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 100.9 25.29 8.55 Favored Glycine 0 CA--C 1.524 0.619 0 N-CA-C 111.141 -0.784 . . . . 0.0 111.141 177.201 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 69.4 p -115.3 -40.97 3.35 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.867 0.365 . . . . 0.0 111.224 176.808 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 94.08 2.61 64.22 Favored Glycine 0 CA--C 1.524 0.652 0 N-CA-C 111.193 -0.763 . . . . 0.0 111.193 -177.028 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 86.4 p -90.78 -7.76 51.54 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.802 0.334 . . . . 0.0 111.143 177.886 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 122' ' ' ILE . . . . . 0.492 HG23 HD21 ' A' ' 132' ' ' LEU . 96.6 mt -63.78 -40.0 87.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.217 179.492 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 96.2 mt -75.37 -17.65 60.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.238 -173.513 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 31.1 t0 -69.39 -52.89 22.7 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.206 -176.087 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 11.2 t -57.06 -34.95 68.78 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.152 178.545 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 89.8 mt -63.01 -48.61 78.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.175 179.24 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 40.1 ptt180 -73.39 -19.98 60.86 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.221 -179.777 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 97.5 mt -85.64 -9.91 56.57 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.203 176.134 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 56.2 t30 63.57 36.18 11.24 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.155 -179.162 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 89.7 mttt -110.82 149.52 40.5 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.154 178.485 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 74.6 Cg_exo -50.95 131.11 33.61 Favored 'Trans proline' 0 N--CA 1.458 -0.567 0 C-N-CA 121.648 1.565 . . . . 0.0 111.178 178.928 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 132' ' ' LEU . . . . . 0.492 HD21 HG23 ' A' ' 122' ' ' ILE . 40.7 tp -131.31 126.53 35.59 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.182 -171.762 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 133' ' ' ILE . . . . . 0.438 ' HB ' HG12 ' A' ' 114' ' ' ILE . 74.4 mt -111.09 120.95 62.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.235 170.093 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 97.5 t -100.16 123.31 52.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.157 -179.334 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 135' ' ' CYS . . . . . 0.446 ' HB2' ' HA ' ' A' ' 116' ' ' HIS . 89.9 m -98.67 117.21 32.63 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.166 179.212 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 11.4 p -84.89 141.81 14.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.159 -176.159 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 19.7 p30 -141.33 -160.16 1.05 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.176 179.36 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 98.8 m-20 -67.3 -12.61 60.58 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.194 -170.182 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 82.5 p -58.85 -25.82 63.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.229 176.097 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 53.5 tp -90.77 114.97 27.46 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.209 171.879 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 141' ' ' MET . . . . . . . . . . . . . 98.7 mmm -76.26 -20.3 57.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.113 -175.253 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 66.3 t0 -63.84 122.53 16.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.169 176.404 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 98.2 m-20 -61.62 -24.8 66.95 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.134 -179.266 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 144' ' ' HIS . . . . . . . . . . . . . 99.3 m-70 -85.02 65.92 9.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.186 177.118 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 145' ' ' GLN . . . . . . . . . . . . . 96.9 mt-30 -77.42 -27.43 52.28 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.16 -174.724 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 146' ' ' GLN . . . . . . . . . . . . . 85.7 mt-30 -90.4 -18.38 25.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.186 -177.098 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 147' ' ' GLN . . . . . . . . . . . . . 99.1 mm-40 -76.94 -21.78 54.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.169 -173.746 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 148' ' ' ILE . . . . . . . . . . . . . 37.6 pt -67.42 -19.98 25.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.205 -178.713 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -58.98 -28.5 66.4 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.17 -179.383 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 98.8 m-20 -62.51 -32.69 73.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.159 176.653 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 151' ' ' LYS . . . . . . . . . . . . . 75.0 mmtt -87.64 -23.59 24.2 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.269 -179.559 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 152' ' ' PHE . . . . . . . . . . . . . 12.8 m-85 -63.61 -36.96 85.54 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.134 168.146 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 153' ' ' VAL . . . . . . . . . . . . . 61.6 t -63.37 -38.3 81.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.208 171.585 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 76.8 mm-40 -64.84 -32.87 74.77 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.212 178.095 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 155' ' ' LEU . . . . . . . . . . . . . 90.1 mt -64.73 -50.64 66.12 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.142 174.785 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . 83.87 15.07 71.11 Favored Glycine 0 CA--C 1.523 0.538 0 N-CA-C 111.241 -0.744 . . . . 0.0 111.241 167.085 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 157' ' ' TYR . . . . . . . . . . . . . 25.4 p90 -139.92 6.73 2.22 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.886 0.374 . . . . 0.0 111.233 177.317 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 158' ' ' VAL . . . . . . . . . . . . . 7.9 p -159.57 141.08 4.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.219 -178.815 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 159' ' ' TRP . . . . . . . . . . . . . 26.4 m-90 -120.49 136.29 54.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.215 -174.771 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 160' ' ' SER . . . . . . . . . . . . . 28.1 t -100.45 147.19 26.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.149 -178.499 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 161' ' ' CYS . . . . . . . . . . . . . 19.8 p -154.87 -179.37 7.97 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.216 174.079 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -99.25 140.32 21.59 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.231 172.741 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 163' ' ' PRO . . . . . . . . . . . . . 87.4 Cg_endo -78.14 64.96 8.43 Favored 'Trans proline' 0 N--CA 1.458 -0.608 0 C-N-CA 121.689 1.593 . . . . 0.0 111.198 179.841 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 164' ' ' THR . . . . . . . . . . . . . 10.4 p -129.95 -179.93 5.5 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.198 176.619 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 165' ' ' GLU . . . . . . . . . . . . . 25.1 pt-20 -69.69 -8.42 47.67 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.198 179.66 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 166' ' ' THR . . . . . . . . . . . . . 78.6 p -116.6 -36.58 3.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.226 -178.106 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 167' ' ' GLY . . . . . . . . . . . . . . . -72.86 -36.7 57.45 Favored Glycine 0 CA--C 1.523 0.584 0 N-CA-C 111.249 -0.741 . . . . 0.0 111.249 -177.645 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 168' ' ' LEU . . . . . . . . . . . . . 95.4 mt -65.22 -35.14 80.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.844 0.355 . . . . 0.0 111.166 178.202 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 93.8 mt -65.07 -45.46 94.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.203 174.012 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 170' ' ' ALA . . . . . . . . . . . . . . . -62.72 -36.74 83.97 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.244 178.374 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 171' ' ' GLY . . . . . . . . . . . . . . . -64.89 -43.89 95.4 Favored Glycine 0 CA--C 1.523 0.537 0 N-CA-C 111.125 -0.79 . . . . 0.0 111.125 177.799 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 80.5 mt -59.42 -44.94 92.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.839 0.352 . . . . 0.0 111.182 177.577 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 173' ' ' ARG . . . . . . . . . . . . . 55.0 ttm-85 -65.56 -38.32 89.23 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.192 177.487 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -62.72 -40.64 97.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.18 -177.796 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 56.4 p -65.1 -19.97 66.24 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.207 -177.823 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 176' ' ' GLN . . . . . . . . . . . . . 81.5 mt-30 -108.64 -4.56 16.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.221 -179.718 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 177' ' ' THR . . . . . . . . . . . . . 71.3 m -70.06 -47.84 60.3 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.165 177.797 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 178' ' ' GLU . . . . . . . . . . . . . 72.6 mm-40 -95.28 149.45 21.32 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.214 178.569 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 179' ' ' LYS . . . . . . . . . . . . . 88.9 tttt -63.24 125.03 22.73 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.276 179.228 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 180' ' ' LEU . . . . . . . . . . . . . 56.9 tp -72.81 118.56 15.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.191 -178.469 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 181' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -128.62 156.41 77.41 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.177 177.668 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 182' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_exo -52.9 138.99 61.02 Favored 'Trans proline' 0 N--CA 1.457 -0.627 0 C-N-CA 121.674 1.582 . . . . 0.0 111.259 175.199 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 183' ' ' PHE . . . . . 0.432 ' N ' ' CD1' ' A' ' 183' ' ' PHE . 5.5 m-30 -68.39 122.63 85.14 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-N 116.273 -0.422 . . . . 0.0 111.226 -173.031 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 184' ' ' PRO . . . . . . . . . . . . . 77.8 Cg_exo -56.44 -37.54 97.0 Favored 'Trans proline' 0 N--CA 1.458 -0.573 0 C-N-CA 121.644 1.562 . . . . 0.0 111.236 -177.542 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 185' ' ' VAL . . . . . . . . . . . . . 96.8 t -74.87 128.22 36.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.175 -178.372 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 186' ' ' SER . . . . . . . . . . . . . 86.2 p -115.47 6.01 14.63 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.209 -176.403 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 187' ' ' HIS . . . . . . . . . . . . . 91.0 m-70 -119.86 139.39 52.45 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.177 -177.958 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 188' ' ' ASN . . . . . 0.589 ' HB2' ' HD3' ' A' ' 189' ' ' PRO . 99.4 m-20 -69.23 -46.08 28.81 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.177 -178.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 189' ' ' PRO . . . . . 0.589 ' HD3' ' HB2' ' A' ' 188' ' ' ASN . 53.1 Cg_exo -55.27 -36.27 93.13 Favored 'Trans proline' 0 N--CA 1.458 -0.586 0 C-N-CA 121.681 1.587 . . . . 0.0 111.235 176.952 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 190' ' ' SER . . . . . . . . . . . . . 74.9 m -73.88 -37.16 64.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.162 -179.426 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 191' ' ' PHE . . . . . . . . . . . . . 6.5 m-85 -59.85 -48.29 82.28 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.17 175.055 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 192' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -68.15 -43.44 78.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.247 -179.178 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 193' ' ' ARG . . . . . . . . . . . . . 79.8 ttt180 -54.96 -56.51 18.85 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.199 177.436 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 194' ' ' LEU . . . . . . . . . . . . . 93.3 mt -63.8 -38.58 91.63 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.267 -176.55 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 195' ' ' LEU . . . . . . . . . . . . . 58.6 tp -55.81 -54.66 41.75 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.13 177.785 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 196' ' ' VAL . . . . . . . . . . . . . 78.6 t -72.05 -39.92 66.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.229 -174.46 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 197' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -63.98 -34.0 77.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.216 178.626 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 198' ' ' THR . . . . . . . . . . . . . 89.0 m -74.81 -48.75 23.58 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.225 178.876 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 199' ' ' ILE . . . . . . . . . . . . . 93.5 mt -65.19 -42.01 93.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.283 -179.105 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 200' ' ' TYR . . . . . . . . . . . . . 93.5 m-85 -102.52 33.1 3.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.142 -178.964 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 201' ' ' SER . . . . . . . . . . . . . 42.4 t . . . . . 0 C--O 1.2 -1.517 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.232 178.861 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.522 0.523 0 N-CA-C 111.2 -0.76 . . . . 0.0 111.2 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 43.0 pt -115.09 21.39 6.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.767 0.318 . . . . 0.0 111.167 179.596 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 42.6 pt -114.95 23.92 5.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.205 -178.1 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 88.3 tt0 -146.66 139.91 25.6 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.235 179.647 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' GLU . . . . . 0.463 ' HG3' ' HB ' ' A' ' 40' ' ' VAL . 81.7 tt0 -102.92 99.84 9.77 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.182 -179.115 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.43 ' HB2' ' HA ' ' A' ' 39' ' ' PHE . 90.8 mttt -99.55 153.42 19.05 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.199 179.852 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -110.06 130.2 55.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.214 178.441 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 51.9 tp -122.22 124.46 43.86 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.196 -174.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 42.3 m-85 -103.38 120.38 40.69 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.232 175.372 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 66.3 t -111.54 110.22 31.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.139 177.047 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 99.4 m -95.88 123.57 39.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.272 -174.415 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 41.3 t -77.6 131.5 37.84 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.205 175.789 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -74.82 173.29 52.37 Favored Glycine 0 CA--C 1.523 0.584 0 N-CA-C 111.245 -0.742 . . . . 0.0 111.245 177.275 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -67.95 -35.14 77.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.84 0.352 . . . . 0.0 111.197 -174.638 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 45.1 p -113.99 38.19 3.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.206 -174.813 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 98.1 t -105.61 118.4 55.59 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.237 -179.619 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_exo -54.67 135.0 65.36 Favored 'Trans proline' 0 N--CA 1.457 -0.619 0 C-N-CA 121.717 1.611 . . . . 0.0 111.174 177.278 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' PHE . . . . . 0.575 ' N ' ' CD ' ' A' ' 19' ' ' PRO . 94.4 m-85 -79.17 -40.96 1.57 Allowed Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.19 -177.767 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.575 ' CD ' ' N ' ' A' ' 18' ' ' PHE . 64.0 Cg_exo -55.47 -27.34 58.51 Favored 'Trans proline' 0 N--CA 1.458 -0.592 0 C-N-CA 121.701 1.601 . . . . 0.0 111.158 178.855 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 91.5 mttt -86.91 -60.74 1.9 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.198 -177.456 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 50.4 tp -58.39 -40.31 82.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.178 -172.034 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 53.7 t -56.83 -43.99 81.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.335 178.912 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 95.6 p -80.49 -17.97 50.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.23 -175.823 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 93.9 m -85.23 -15.79 42.36 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.172 -179.911 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 30.7 m -109.33 -11.53 11.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.132 176.376 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 99.2 mt -113.58 22.06 14.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.211 172.644 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 4.3 t -63.73 147.77 50.84 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.226 174.941 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 99.8 m-20 -68.88 -18.34 64.12 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.133 178.7 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -97.44 -38.29 9.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.27 177.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 75.9 t80 -57.23 -49.86 74.68 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.114 176.446 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 81.0 m -64.96 -35.74 82.13 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.259 -172.967 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 87.3 mt-30 -64.19 -48.96 73.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.23 179.341 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 68.6 mm-40 -64.83 -42.62 94.79 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.222 176.362 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 33.3 tp -49.98 -50.07 48.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.211 177.027 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 94.4 mt -63.39 -40.02 87.5 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.19 -179.503 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 88.2 mt-30 -73.95 -12.28 60.6 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.125 -179.057 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 21.9 m-30 -89.68 -5.49 57.02 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.225 174.424 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 97.58 4.39 58.15 Favored Glycine 0 CA--C 1.523 0.58 0 N-CA-C 111.154 -0.778 . . . . 0.0 111.154 176.271 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.43 ' HA ' ' HB2' ' A' ' 6' ' ' LYS . 71.2 m-85 -94.37 122.66 37.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.757 0.313 . . . . 0.0 111.22 -176.734 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.463 ' HB ' ' HG3' ' A' ' 5' ' ' GLU . 97.2 t -118.0 -43.96 3.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.215 -177.182 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 97.7 mtt180 -87.4 83.87 7.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.244 -176.185 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 56.2 tp -81.36 94.56 6.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.17 -179.604 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 79.8 mt -96.79 111.71 27.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.165 -177.228 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 61.1 mt -105.78 117.23 51.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.183 -169.158 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 49.3 tt0 -100.07 106.25 17.98 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.176 -170.708 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 44.3 m-85 -110.06 170.5 8.03 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.218 175.476 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -94.99 -153.5 30.29 Favored Glycine 0 CA--C 1.524 0.594 0 N-CA-C 111.174 -0.77 . . . . 0.0 111.174 -179.281 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 85.6 mtp180 -83.51 -8.49 59.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.829 0.347 . . . . 0.0 111.202 -177.931 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 95.4 m-20 -91.21 5.68 48.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.159 -173.061 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 86.2 t80 -153.54 129.94 10.59 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.214 176.291 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 95.5 p -74.79 164.51 26.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.212 -178.37 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 68.6 m -84.89 60.0 5.93 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.248 179.258 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 53.3 mt-10 -122.98 113.05 18.55 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.142 -175.871 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 54.0 m-85 -120.93 11.13 10.99 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.179 177.607 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 86.8 tt0 -51.43 -40.0 58.49 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.273 -0.422 . . . . 0.0 111.144 -171.905 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 85.7 t60 -55.94 -59.36 5.0 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.214 -174.406 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 93.5 mt -74.98 -31.55 61.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.178 -174.751 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 51.4 t -70.13 -40.02 77.77 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.224 -178.66 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 97.9 mm-40 -77.14 -32.43 56.37 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.215 177.914 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 88.1 tt0 -57.01 -45.18 83.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.182 173.291 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 32.9 tpt180 -71.34 -41.68 69.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.168 173.404 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 115.03 120.84 3.42 Favored Glycine 0 CA--C 1.523 0.558 0 N-CA-C 111.201 -0.76 . . . . 0.0 111.201 177.707 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 170.42 -175.0 44.45 Favored Glycine 0 CA--C 1.522 0.511 0 N-CA-C 111.149 -0.781 . . . . 0.0 111.149 -178.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 97.4 mm-40 -110.1 156.12 20.99 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.809 0.338 . . . . 0.0 111.219 -179.268 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 7.2 tmm_? -134.96 130.29 35.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.172 -175.332 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 40.2 tt0 -144.83 125.96 14.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.185 177.198 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 66.7 m -71.45 144.82 49.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.216 178.076 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 91.7 mm-40 -127.75 121.48 30.37 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.212 -173.898 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -94.17 81.16 4.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.162 172.972 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.423 ' HB ' ' HB2' ' A' ' 77' ' ' CYS . 80.6 mt -94.51 125.38 51.99 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.134 -165.85 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 82.3 Cg_exo -52.53 135.04 54.58 Favored 'Trans proline' 0 N--CA 1.458 -0.611 0 C-N-CA 121.693 1.595 . . . . 0.0 111.22 -174.932 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 96.7 mt -74.29 -44.13 49.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.196 179.446 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 98.8 m-20 -64.98 -28.42 69.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.171 -176.572 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 99.0 mm-40 -90.05 -47.2 7.98 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.146 -177.275 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 90.5 m-85 -119.9 -40.51 2.73 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.157 -172.478 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 101.69 0.42 52.68 Favored Glycine 0 CA--C 1.523 0.578 0 N-CA-C 111.165 -0.774 . . . . 0.0 111.165 172.804 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 77' ' ' CYS . . . . . 0.423 ' HB2' ' HB ' ' A' ' 70' ' ' ILE . 80.3 m -75.06 -46.52 34.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.83 0.348 . . . . 0.0 111.214 -175.62 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 88.03 -161.32 31.67 Favored Glycine 0 CA--C 1.523 0.581 0 N-CA-C 111.169 -0.772 . . . . 0.0 111.169 176.899 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 96.6 m-20 -87.46 -19.7 27.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.867 0.365 . . . . 0.0 111.224 -178.774 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 25.8 p -82.88 57.99 4.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.23 -179.037 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -152.32 144.09 23.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.185 -175.284 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 81.6 mtt85 -139.98 146.77 39.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.253 -179.016 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 64.4 tt0 -100.21 121.05 40.84 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.154 -178.855 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 84' ' ' TYR . . . . . 0.552 ' HB2' ' HB ' ' A' ' 93' ' ' VAL . 65.4 m-85 -117.13 109.98 17.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.163 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 92.8 t -113.01 109.61 29.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.194 -177.584 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.477 ' N ' HD23 ' A' ' 86' ' ' LEU . 2.1 pt? -140.76 172.43 12.71 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.252 -166.435 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 94.0 mtp 63.09 53.3 2.33 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.175 178.875 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 95.7 m-20 65.06 24.0 12.5 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.165 179.856 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 76.09 16.35 80.75 Favored Glycine 0 CA--C 1.523 0.542 0 N-CA-C 111.25 -0.74 . . . . 0.0 111.25 179.563 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -87.08 -25.48 24.14 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.788 0.327 . . . . 0.0 111.209 -177.239 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 63.0 tp -114.51 129.58 56.67 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.2 179.665 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -114.12 94.46 4.82 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.201 176.724 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 93' ' ' VAL . . . . . 0.552 ' HB ' ' HB2' ' A' ' 84' ' ' TYR . 90.9 t -89.26 127.87 41.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.106 178.155 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 88.6 mt -124.33 119.13 55.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.157 -170.657 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -65.03 141.79 43.94 Favored Glycine 0 CA--C 1.523 0.584 0 N-CA-C 111.211 -0.756 . . . . 0.0 111.211 172.712 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 46.0 t80 -169.3 155.0 6.12 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.806 0.336 . . . . 0.0 111.165 -168.566 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 50.1 p30 -141.95 -165.04 1.92 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.159 -179.651 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 95.4 m-85 -82.42 133.35 35.21 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.154 -177.086 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 10.2 t -134.59 -171.62 2.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.182 -172.324 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 40.7 p -125.39 -75.54 0.59 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.216 -172.372 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -56.78 -37.95 71.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.211 -171.075 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 27.1 ptm -82.35 6.53 16.73 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.142 -167.887 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 77.9 mt-30 -64.8 -23.93 67.39 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.2 172.67 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 95.5 p -92.15 -24.95 18.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.185 174.58 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 92.6 mt -69.8 -42.06 79.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.204 176.626 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 97.2 mt -58.25 -36.2 56.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.207 179.846 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 36.0 ttm180 -57.62 -36.54 71.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.211 178.527 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 67.9 m-20 -110.29 39.36 2.2 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.218 178.069 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 109' ' ' TYR . . . . . . . . . . . . . 92.6 t80 -145.06 -54.93 0.31 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.192 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 79.8 p -73.04 163.14 28.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.156 -172.858 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 50.5 m-20 -112.59 -31.89 6.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.184 174.406 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 59.4 tp -146.19 139.73 26.08 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.257 178.427 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 58.3 t -125.22 124.18 66.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.189 175.693 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 97.6 mt -96.4 125.31 49.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.147 175.756 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 48.7 m -119.93 161.49 20.78 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.188 -174.397 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 34.1 t-80 -109.99 144.76 38.06 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.234 -176.455 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -72.27 151.18 42.98 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.207 178.533 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 84.95 3.59 87.72 Favored Glycine 0 CA--C 1.524 0.606 0 N-CA-C 111.193 -0.763 . . . . 0.0 111.193 175.635 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 59.9 p -131.21 -179.71 5.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.795 0.331 . . . . 0.0 111.216 -177.504 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -97.7 5.03 61.86 Favored Glycine 0 CA--C 1.524 0.603 0 N-CA-C 111.2 -0.76 . . . . 0.0 111.2 -178.136 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 95.2 p -66.39 -27.34 67.78 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.763 0.316 . . . . 0.0 111.202 178.345 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 122' ' ' ILE . . . . . . . . . . . . . 92.2 mt -70.08 -46.19 73.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.18 176.197 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 56.5 tp -55.56 -38.75 69.73 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.209 175.825 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 98.9 m-20 -57.61 -50.01 74.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.223 177.133 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 78.2 p -72.75 -20.97 61.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.146 -177.633 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 85.0 mt -74.39 -32.21 62.64 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.218 172.907 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 36.8 mmt180 -82.53 -24.96 33.82 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.232 175.369 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 94.7 mt -74.25 -18.74 60.69 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.243 171.364 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 96.5 m-20 67.16 38.6 3.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.134 178.503 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 37.1 mmtm -110.08 154.11 42.9 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.207 178.78 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_exo -52.92 127.46 24.95 Favored 'Trans proline' 0 N--CA 1.457 -0.64 0 C-N-CA 121.735 1.623 . . . . 0.0 111.237 178.347 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 57.5 tp -95.21 112.18 23.93 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.231 -168.95 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 87.6 mt -101.45 119.72 50.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.129 165.847 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 96.3 t -102.16 119.83 51.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.152 -177.066 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 135' ' ' CYS . . . . . . . . . . . . . 90.8 m -92.69 131.69 37.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.162 175.351 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 136' ' ' VAL . . . . . 0.442 HG22 ' HA ' ' A' ' 162' ' ' ALA . 30.1 m -78.98 163.81 3.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.137 178.717 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 15.1 t-20 -97.18 170.06 9.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.213 -175.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 98.3 m-20 -80.3 -27.15 38.55 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.196 169.758 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 96.2 p -76.76 -17.4 59.08 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.173 178.566 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 55.1 tp -67.13 128.34 36.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.27 -178.665 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 141' ' ' MET . . . . . . . . . . . . . 58.2 ttm -60.48 139.59 57.66 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.262 -178.935 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 99.1 m-20 -57.38 -35.34 69.86 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.187 -178.016 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 99.3 m-20 -63.96 -35.41 80.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.237 176.174 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 144' ' ' HIS . . . . . . . . . . . . . 67.2 m170 -74.73 -31.07 61.72 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.174 177.94 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 145' ' ' GLN . . . . . . . . . . . . . 78.2 mt-30 -64.31 -40.71 96.45 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.215 175.343 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 146' ' ' GLN . . . . . . . . . . . . . 72.9 tp60 -70.03 -39.44 75.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.188 174.849 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 147' ' ' GLN . . . . . 0.444 ' OE1' ' OXT' ' A' ' 201' ' ' SER . 39.8 tt0 -55.0 -40.93 70.66 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.194 176.46 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 148' ' ' ILE . . . . . 0.554 HG13 ' O ' ' A' ' 201' ' ' SER . 82.1 mt -60.78 -50.19 81.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.191 175.867 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -62.68 -32.75 73.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.215 -179.258 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 99.1 m-20 -73.4 -48.16 36.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.137 -176.601 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 151' ' ' LYS . . . . . . . . . . . . . 74.7 mmtt -115.01 -59.82 1.97 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.168 -169.722 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 152' ' ' PHE . . . . . . . . . . . . . 90.3 t80 -55.11 -48.25 73.86 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.21 -168.434 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 153' ' ' VAL . . . . . . . . . . . . . 78.1 t -65.9 -30.17 49.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.225 -179.906 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 74.0 mm-40 -84.89 -3.42 58.69 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.168 -174.537 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 155' ' ' LEU . . . . . . . . . . . . . 87.7 mt -61.38 -34.79 75.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.175 178.053 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . 91.79 12.53 59.16 Favored Glycine 0 CA--C 1.523 0.559 0 N-CA-C 111.212 -0.755 . . . . 0.0 111.212 176.595 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 157' ' ' TYR . . . . . . . . . . . . . 95.2 m-85 -112.55 -43.29 3.5 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.839 0.352 . . . . 0.0 111.189 178.715 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 158' ' ' VAL . . . . . . . . . . . . . 66.6 t -131.89 132.11 61.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.128 -173.496 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 159' ' ' TRP . . . . . . . . . . . . . 63.4 t-105 -90.05 139.05 30.99 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.206 171.218 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 160' ' ' SER . . . . . . . . . . . . . 45.8 t -132.31 142.87 49.52 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.184 178.051 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 161' ' ' CYS . . . . . . . . . . . . . 31.6 p -154.14 175.08 13.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.2 -175.341 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 162' ' ' ALA . . . . . 0.442 ' HA ' HG22 ' A' ' 136' ' ' VAL . . . -83.24 140.17 42.23 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.218 176.043 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 163' ' ' PRO . . . . . . . . . . . . . 84.3 Cg_endo -78.18 65.12 8.45 Favored 'Trans proline' 0 N--CA 1.459 -0.557 0 C-N-CA 121.643 1.562 . . . . 0.0 111.22 179.793 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 164' ' ' THR . . . . . . . . . . . . . 18.8 p -125.03 179.93 4.83 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.174 178.616 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 165' ' ' GLU . . . . . . . . . . . . . 22.9 pt-20 -70.07 -10.04 57.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.213 178.685 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 166' ' ' THR . . . . . . . . . . . . . 74.0 p -111.99 -36.78 5.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.169 -178.707 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 167' ' ' GLY . . . . . . . . . . . . . . . -74.3 -37.12 48.7 Favored Glycine 0 CA--C 1.523 0.585 0 N-CA-C 111.161 -0.776 . . . . 0.0 111.161 -177.555 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 168' ' ' LEU . . . . . . . . . . . . . 96.3 mt -67.61 -31.52 71.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.798 0.332 . . . . 0.0 111.208 179.093 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 83.9 mt -64.56 -45.18 96.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.205 175.207 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 170' ' ' ALA . . . . . . . . . . . . . . . -62.68 -37.89 88.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.172 178.102 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 171' ' ' GLY . . . . . . . . . . . . . . . -62.96 -45.82 94.84 Favored Glycine 0 CA--C 1.523 0.578 0 N-CA-C 111.144 -0.782 . . . . 0.0 111.144 176.769 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 84.0 mt -61.43 -42.95 99.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.782 0.325 . . . . 0.0 111.135 179.476 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 173' ' ' ARG . . . . . . . . . . . . . 35.2 ttm180 -64.14 -40.1 95.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.204 178.422 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -64.95 -40.11 94.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.276 -178.26 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 60.5 p -64.98 -25.5 67.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.234 -177.922 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 176' ' ' GLN . . . . . . . . . . . . . 89.7 mm-40 -102.4 -27.6 12.72 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.156 -175.433 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 177' ' ' THR . . . . . . . . . . . . . 96.7 m -99.8 -53.53 3.15 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.168 -175.192 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 178' ' ' GLU . . . . . . . . . . . . . 75.7 mm-40 -82.14 141.74 32.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.236 -173.205 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 179' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -80.06 110.11 15.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.183 177.624 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 180' ' ' LEU . . . . . . . . . . . . . 93.7 mt -105.24 122.65 46.38 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.203 175.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 181' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -80.21 154.96 74.8 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.194 -177.845 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 182' ' ' PRO . . . . . . . . . . . . . 78.2 Cg_exo -55.17 129.14 33.65 Favored 'Trans proline' 0 N--CA 1.457 -0.651 0 C-N-CA 121.693 1.596 . . . . 0.0 111.241 -178.663 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 183' ' ' PHE . . . . . . . . . . . . . 12.3 t80 -60.15 122.25 65.23 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.231 178.196 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 184' ' ' PRO . . . . . . . . . . . . . 94.3 Cg_exo -55.77 -37.31 95.76 Favored 'Trans proline' 0 N--CA 1.459 -0.548 0 C-N-CA 121.643 1.562 . . . . 0.0 111.197 -170.392 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 185' ' ' VAL . . . . . . . . . . . . . 87.2 t -64.63 123.5 17.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.193 -173.898 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 186' ' ' SER . . . . . . . . . . . . . 87.0 p -121.66 0.13 9.8 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.154 176.774 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 187' ' ' HIS . . . . . . . . . . . . . 92.0 m-70 -115.72 149.4 38.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.206 -176.689 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 188' ' ' ASN . . . . . 0.61 ' HB2' ' HD3' ' A' ' 189' ' ' PRO . 98.5 m-20 -70.1 -47.22 21.75 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.183 -177.175 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 189' ' ' PRO . . . . . 0.61 ' HD3' ' HB2' ' A' ' 188' ' ' ASN . 51.6 Cg_exo -56.83 -39.55 90.59 Favored 'Trans proline' 0 N--CA 1.458 -0.612 0 C-N-CA 121.652 1.568 . . . . 0.0 111.2 178.446 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 190' ' ' SER . . . . . . . . . . . . . 72.7 m -69.13 -39.86 78.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.149 179.323 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 191' ' ' PHE . . . . . . . . . . . . . 62.0 t80 -56.34 -46.95 79.7 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.197 174.638 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 192' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -59.82 -33.45 71.76 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.204 -175.236 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 193' ' ' ARG . . . . . . . . . . . . . 79.9 ttt180 -68.83 -61.37 1.84 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.206 177.222 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 194' ' ' LEU . . . . . . . . . . . . . 1.9 mp -65.15 -24.21 67.33 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.228 -175.194 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 195' ' ' LEU . . . . . 0.439 ' HA ' HD12 ' A' ' 199' ' ' ILE . 61.3 tp -48.74 -44.99 39.02 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.224 178.917 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 196' ' ' VAL . . . . . . . . . . . . . 93.5 t -86.72 -48.07 15.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.136 176.888 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 197' ' ' GLU . . . . . . . . . . . . . 92.3 mt-10 -58.89 -53.63 56.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.188 -167.902 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 198' ' ' THR . . . . . . . . . . . . . 70.6 p -114.36 -38.96 3.94 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.226 -167.738 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 199' ' ' ILE . . . . . 0.439 HD12 ' HA ' ' A' ' 195' ' ' LEU . 93.6 mt -74.52 -58.57 4.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.162 -174.137 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 200' ' ' TYR . . . . . . . . . . . . . 87.7 t80 -71.39 -59.29 2.84 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.137 178.159 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 201' ' ' SER . . . . . 0.554 ' O ' HG13 ' A' ' 148' ' ' ILE . 40.4 t . . . . . 0 C--O 1.2 -1.504 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.215 178.204 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.571 0 N-CA-C 111.218 -0.753 . . . . 0.0 111.218 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 96.7 mt -65.09 -45.0 95.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-O 120.722 0.296 . . . . 0.0 111.152 -179.434 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 97.1 mt -70.02 -49.52 55.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.17 179.282 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -152.72 131.49 12.4 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.181 178.963 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -95.0 83.44 3.95 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.232 176.661 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 88.8 mttt -74.5 151.47 39.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.211 -174.316 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.466 ' HB3' ' HA ' ' A' ' 110' ' ' SER . . . -120.39 140.87 50.7 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.24 -176.878 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 63.2 tp -123.79 113.95 19.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.196 -173.916 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 62.4 t80 -89.71 106.55 18.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.17 -176.842 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 89.7 t -103.13 115.35 44.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.217 -177.459 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 96.4 m -101.74 110.21 22.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.172 176.566 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 90.1 m -79.81 140.42 36.86 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.233 -179.282 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -84.45 170.27 46.34 Favored Glycine 0 CA--C 1.523 0.574 0 N-CA-C 111.233 -0.747 . . . . 0.0 111.233 -179.231 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -97.53 -5.01 36.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.776 0.322 . . . . 0.0 111.162 -178.113 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 69.5 p -87.63 -19.46 27.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.21 -178.556 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 79.6 t -114.87 130.17 24.4 Favored Pre-proline 0 C--N 1.33 -0.249 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.152 176.458 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 85.6 Cg_exo -48.55 126.87 15.01 Favored 'Trans proline' 0 N--CA 1.459 -0.557 0 C-N-CA 121.674 1.583 . . . . 0.0 111.209 177.611 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' PHE . . . . . 0.532 ' HB2' ' HD3' ' A' ' 19' ' ' PRO . 18.3 m-85 -61.58 -44.55 92.11 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.242 -175.247 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.532 ' HD3' ' HB2' ' A' ' 18' ' ' PHE . 67.8 Cg_exo -55.02 -35.15 89.48 Favored 'Trans proline' 0 N--CA 1.458 -0.588 0 C-N-CA 121.725 1.617 . . . . 0.0 111.178 178.289 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -91.87 -18.85 23.19 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.237 -176.215 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 36.6 tp -81.28 -38.85 26.16 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.231 -177.353 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 27.1 m -67.42 -17.17 22.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.208 -175.66 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 60.5 p -66.96 -16.42 64.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.192 179.875 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 78.0 m -84.82 -14.96 46.45 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.246 -179.853 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 35.7 m -118.75 -3.58 10.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.186 -179.089 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 96.2 mt -117.28 12.43 14.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.161 179.11 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 69.6 p -74.97 159.95 31.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.162 178.952 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 98.9 m-20 -62.87 -36.92 84.87 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.171 177.43 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 76.7 mm-40 -71.99 -43.85 64.42 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.242 -178.755 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 46.8 t80 -64.95 -49.24 71.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.21 -179.096 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 81.2 m -67.62 -40.03 84.69 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.207 -174.518 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 66.3 tt0 -56.7 -55.81 29.41 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.245 175.749 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.426 ' HB2' HG12 ' A' ' 169' ' ' ILE . 69.7 mm-40 -64.39 -40.7 96.33 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.204 179.356 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 37.9 tp -48.07 -50.92 26.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.225 174.459 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 94.3 mt -62.44 -40.06 86.67 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.196 178.582 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 99.8 mm-40 -64.86 -23.87 67.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.236 -179.147 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 13.7 m-30 -87.34 -5.02 59.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.154 -179.802 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 99.63 5.06 55.7 Favored Glycine 0 CA--C 1.524 0.597 0 N-CA-C 111.266 -0.734 . . . . 0.0 111.266 176.201 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 68.4 m-85 -96.24 122.31 38.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.83 0.348 . . . . 0.0 111.213 -175.908 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 34.0 m -130.28 -11.3 2.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.188 -178.492 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 74.9 mtm180 -107.16 88.07 2.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.244 -179.762 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 53.0 tp -90.55 124.71 35.24 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.193 -175.898 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.449 HG23 ' CD1' ' A' ' 96' ' ' PHE . 3.3 mp -109.93 123.05 65.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.214 177.892 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 80.9 mt -118.65 111.69 34.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.111 179.31 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 62.3 tp60 -85.11 126.95 34.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.205 -175.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 52.4 m-85 -110.08 155.02 22.44 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.19 173.117 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -80.34 -171.24 43.06 Favored Glycine 0 CA--C 1.524 0.641 0 N-CA-C 111.145 -0.782 . . . . 0.0 111.145 178.973 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 83.4 mtp180 -79.96 -19.97 46.69 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.827 0.346 . . . . 0.0 111.215 -176.733 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 72.6 m-80 -104.74 14.88 28.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.208 -178.227 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 81.9 m-85 -130.78 150.49 51.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.17 -176.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 41.1 t -120.75 120.34 35.35 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.215 -174.735 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 60.6 p -69.86 86.61 0.51 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.19 176.497 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -123.19 106.87 11.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.222 177.806 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 23.1 m-85 -114.88 17.96 16.71 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.213 178.742 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 85.8 tt0 -57.49 -35.59 70.41 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.217 -175.925 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 43.0 p-80 -79.56 -10.89 59.88 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.231 -177.719 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 98.9 mt -96.95 -37.19 10.29 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.231 -177.116 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 22.5 m -68.64 -17.15 21.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.206 -179.023 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 88.8 mt-30 -64.54 -27.22 68.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.165 171.049 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 94.2 mt-10 -104.97 18.78 21.76 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.227 176.382 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 89.2 mmt-85 -129.56 -0.02 4.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.142 178.611 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 76.28 39.57 31.04 Favored Glycine 0 CA--C 1.523 0.538 0 N-CA-C 111.208 -0.757 . . . . 0.0 111.208 173.673 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -147.92 -146.37 4.33 Favored Glycine 0 CA--C 1.524 0.616 0 N-CA-C 111.197 -0.761 . . . . 0.0 111.197 -179.266 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 20.4 pt20 -168.57 171.3 8.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.814 0.34 . . . . 0.0 111.163 -172.591 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 67.3 ttp85 -99.97 140.02 34.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.207 179.767 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 87.3 tt0 -147.86 113.51 5.69 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.236 174.343 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 39.9 t -69.93 134.43 48.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.136 174.034 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 17.0 mm-40 -129.57 141.28 50.99 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.19 -176.11 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -95.06 65.02 2.84 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.214 172.455 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 86.7 mt -79.37 133.43 60.13 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.159 -178.615 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 56.0 Cg_endo -72.2 171.09 17.55 Favored 'Trans proline' 0 N--CA 1.458 -0.598 0 C-N-CA 121.699 1.599 . . . . 0.0 111.227 -176.55 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 47.7 pt -81.9 -8.51 11.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.182 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 69.7 m-20 -89.63 -23.31 21.95 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.171 -179.103 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 63.6 tp60 -82.24 -67.28 0.8 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.218 -177.21 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 75' ' ' PHE . . . . . 0.427 ' HB2' ' SG ' ' A' ' 77' ' ' CYS . 51.0 m-85 -125.7 2.36 7.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.257 -179.835 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 83.26 39.46 9.92 Favored Glycine 0 CA--C 1.524 0.612 0 N-CA-C 111.148 -0.781 . . . . 0.0 111.148 -179.321 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 77' ' ' CYS . . . . . 0.427 ' SG ' ' HB2' ' A' ' 75' ' ' PHE . 72.5 m -112.28 -178.33 3.39 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.838 0.351 . . . . 0.0 111.191 -173.955 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -139.49 -143.39 4.39 Favored Glycine 0 CA--C 1.523 0.541 0 N-CA-C 111.226 -0.75 . . . . 0.0 111.226 176.232 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 55.8 p-10 -102.51 8.45 39.93 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.812 0.339 . . . . 0.0 111.289 -175.252 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 73.2 p -121.39 28.79 7.57 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.241 171.781 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -93.15 137.25 32.66 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.173 171.757 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 95.9 mtt180 -122.39 112.52 18.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.162 -175.27 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 56.3 tt0 -78.58 137.33 37.82 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.213 179.192 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 96.4 m-85 -130.02 134.78 47.64 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.19 178.639 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.453 HG13 ' HA2' ' A' ' 89' ' ' GLY . 86.3 t -91.72 117.21 34.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.166 176.698 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 4.0 mp -122.16 156.54 33.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.206 179.598 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 83.8 mmm 59.96 38.76 20.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.205 174.836 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 78.0 m-20 60.31 34.86 20.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.183 177.075 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 89' ' ' GLY . . . . . 0.453 ' HA2' HG13 ' A' ' 85' ' ' VAL . . . 94.3 2.94 63.56 Favored Glycine 0 CA--C 1.523 0.562 0 N-CA-C 111.156 -0.777 . . . . 0.0 111.156 172.643 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -85.96 -22.01 27.58 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.775 0.322 . . . . 0.0 111.195 -178.331 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 61.4 tp -123.59 133.01 54.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.131 179.44 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -109.5 108.63 19.18 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.222 177.423 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 60.5 t -108.75 124.45 65.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.199 -178.491 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 82.1 mt -114.71 120.56 64.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.174 178.958 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -85.0 133.97 12.24 Favored Glycine 0 CA--C 1.523 0.589 0 N-CA-C 111.2 -0.76 . . . . 0.0 111.2 174.861 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 96' ' ' PHE . . . . . 0.449 ' CD1' HG23 ' A' ' 43' ' ' ILE . 61.7 m-85 -114.87 107.77 15.85 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.813 0.34 . . . . 0.0 111.16 -175.013 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 70.4 m-20 -94.31 67.15 3.48 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.23 171.298 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 91.6 m-85 -129.63 164.69 23.35 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.218 -177.199 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 77.3 p -75.12 -176.29 2.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.142 173.176 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 68.6 p -74.89 -5.42 43.6 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.173 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -63.86 -30.07 71.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.226 176.088 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 24.5 mmt -91.33 -0.31 57.64 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.207 -179.439 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 29.2 tt0 -64.27 -60.09 3.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.264 -176.505 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 73.7 m -65.11 -32.8 74.68 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.259 -179.061 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 95.9 mt -61.7 -46.38 96.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.255 179.081 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 84.8 mt -72.61 -38.06 58.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.157 -179.08 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 42.2 mtm105 -61.83 -26.19 67.97 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.21 -176.953 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 99.0 m-20 -64.36 -23.63 67.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.236 176.441 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 109' ' ' TYR . . . . . . . . . . . . . 96.3 m-85 -97.26 -24.0 15.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.207 -179.909 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 110' ' ' SER . . . . . 0.466 ' HA ' ' HB3' ' A' ' 7' ' ' ALA . 54.6 p -70.65 163.58 26.76 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.246 179.722 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 61.9 m-20 -108.97 -40.48 5.0 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.187 176.068 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 94.4 mt -123.93 154.84 39.17 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.234 173.892 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 94.6 t -124.08 124.96 70.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.228 -179.379 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 97.6 mt -105.85 129.04 59.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.169 174.396 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 33.3 t -115.09 114.45 25.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.151 177.141 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 86.8 m-70 -86.87 143.12 27.58 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.187 -178.792 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . 54.89 50.65 15.15 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.195 170.678 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 128.59 -173.33 19.22 Favored Glycine 0 CA--C 1.524 0.596 0 N-CA-C 111.211 -0.755 . . . . 0.0 111.211 176.682 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 57.9 p -109.32 35.38 3.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.769 0.318 . . . . 0.0 111.187 -173.884 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -58.2 -41.21 94.68 Favored Glycine 0 CA--C 1.523 0.586 0 N-CA-C 111.159 -0.776 . . . . 0.0 111.159 -172.594 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 71.0 m -109.13 30.4 6.61 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.804 0.335 . . . . 0.0 111.219 -175.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 122' ' ' ILE . . . . . . . . . . . . . 48.8 mm -104.81 -52.77 7.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.193 178.572 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 97.9 mt -66.09 -22.8 66.42 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.093 175.711 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 94.9 m-20 -78.66 -17.95 55.18 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.223 177.555 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 39.4 m -114.87 35.0 4.5 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.217 -170.603 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 94.5 mt -89.97 -25.98 20.61 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.235 -179.414 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 98.5 mtt180 -78.02 -22.64 48.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.223 179.233 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 93.7 mt -66.81 -34.6 78.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.233 175.689 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 78.8 m-20 64.97 35.02 8.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.189 -179.813 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 40.5 mmtm -114.03 153.74 46.17 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.185 179.652 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_exo -49.59 123.74 10.98 Favored 'Trans proline' 0 N--CA 1.458 -0.61 0 C-N-CA 121.603 1.535 . . . . 0.0 111.293 175.334 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 81.4 mt -108.2 139.97 42.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.198 -176.832 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 87.3 mt -116.4 130.24 71.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.223 -177.224 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 86.3 t -116.22 125.01 73.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.197 172.283 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 135' ' ' CYS . . . . . . . . . . . . . 47.2 t -105.57 110.02 22.2 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.224 178.75 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 97.0 t -75.71 135.6 26.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.163 -175.344 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 42.1 p30 -80.02 -174.36 4.41 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.19 -175.699 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 57.0 p-10 -99.49 15.28 27.0 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.235 -172.76 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 82.6 p -91.95 -9.98 41.09 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.171 177.442 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 87.9 mt -110.71 162.3 14.9 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.158 178.158 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 141' ' ' MET . . . . . . . . . . . . . 97.2 mmm -89.91 171.73 9.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.179 -176.293 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 99.1 m-20 -65.16 -35.32 80.74 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.245 178.85 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 99.0 m-20 -64.91 -35.78 82.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.224 174.313 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 144' ' ' HIS . . . . . . . . . . . . . 44.1 m170 -64.93 -39.99 94.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.209 174.838 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 145' ' ' GLN . . . . . . . . . . . . . 88.1 mt-30 -62.21 -39.79 93.95 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.202 178.65 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 146' ' ' GLN . . . . . . . . . . . . . 72.4 tp60 -64.93 -44.28 90.02 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.193 179.125 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 147' ' ' GLN . . . . . . . . . . . . . 88.4 mt-30 -64.91 -38.1 89.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.142 179.082 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 148' ' ' ILE . . . . . . . . . . . . . 89.3 mt -64.71 -45.08 96.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.219 175.779 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -64.25 -39.85 94.79 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.163 -179.676 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 95.7 m-20 -58.68 -41.85 87.13 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.196 -179.221 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 151' ' ' LYS . . . . . . . . . . . . . 96.5 mttt -73.66 -30.74 63.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.204 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 152' ' ' PHE . . . . . . . . . . . . . 15.5 m-30 -69.98 -28.45 65.55 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.225 175.395 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 153' ' ' VAL . . . . . . . . . . . . . 55.1 t -69.73 -40.04 78.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.198 171.623 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -61.41 -35.19 76.84 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.168 175.294 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 155' ' ' LEU . . . . . . . . . . . . . 82.2 mt -68.23 -50.21 55.56 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.297 173.15 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . 84.96 16.63 64.83 Favored Glycine 0 CA--C 1.524 0.629 0 N-CA-C 111.19 -0.764 . . . . 0.0 111.19 168.912 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 157' ' ' TYR . . . . . . . . . . . . . 54.4 p90 -143.8 8.12 1.48 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.803 0.335 . . . . 0.0 111.142 175.695 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 158' ' ' VAL . . . . . . . . . . . . . 55.7 t -120.21 134.49 63.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.244 -178.083 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 159' ' ' TRP . . . . . . . . . . . . . 81.0 m95 -97.73 146.64 25.16 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.159 175.431 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 160' ' ' SER . . . . . . . . . . . . . 41.3 t -110.45 115.68 30.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.158 174.139 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 161' ' ' CYS . . . . . . . . . . . . . 92.9 m -114.03 149.64 35.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.222 -178.746 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -81.63 159.62 66.23 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.214 174.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 163' ' ' PRO . . . . . . . . . . . . . 89.9 Cg_endo -78.47 60.75 7.67 Favored 'Trans proline' 0 N--CA 1.458 -0.593 0 C-N-CA 121.763 1.642 . . . . 0.0 111.175 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 164' ' ' THR . . . . . . . . . . . . . 36.7 p -136.05 173.66 11.47 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.197 178.735 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 165' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -70.62 -29.23 65.56 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.198 -178.631 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 166' ' ' THR . . . . . . . . . . . . . 81.9 p -103.55 -21.25 13.78 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.253 -174.083 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 167' ' ' GLY . . . . . . . . . . . . . . . -66.33 -37.43 92.82 Favored Glycine 0 CA--C 1.524 0.604 0 N-CA-C 111.209 -0.756 . . . . 0.0 111.209 -179.274 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 168' ' ' LEU . . . . . . . . . . . . . 52.2 tp -74.89 -47.82 28.05 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.798 0.333 . . . . 0.0 111.2 -177.906 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 169' ' ' ILE . . . . . 0.426 HG12 ' HB2' ' A' ' 33' ' ' GLU . 10.4 tp -65.27 -25.35 37.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.18 -177.672 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 170' ' ' ALA . . . . . . . . . . . . . . . -65.16 -41.5 94.62 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.215 174.466 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 171' ' ' GLY . . . . . . . . . . . . . . . -69.26 -34.4 75.03 Favored Glycine 0 CA--C 1.524 0.629 0 N-CA-C 111.167 -0.773 . . . . 0.0 111.167 177.846 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 30.6 tp -65.07 -39.96 94.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.81 0.338 . . . . 0.0 111.235 176.12 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 173' ' ' ARG . . . . . . . . . . . . . 40.6 ttm180 -58.96 -46.06 88.98 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.208 171.497 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -57.77 -38.71 75.91 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.199 -177.904 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 73.7 m -57.57 -36.7 72.04 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.23 177.295 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 176' ' ' GLN . . . . . . . . . . . . . 91.7 mm-40 -97.78 -4.96 35.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.104 -173.647 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 177' ' ' THR . . . . . . . . . . . . . 93.3 m -113.82 -50.15 2.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.181 -174.952 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 178' ' ' GLU . . . . . . . . . . . . . 72.4 mm-40 -93.16 155.11 17.67 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.215 -176.212 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 179' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -95.49 120.4 35.68 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.249 -177.535 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 180' ' ' LEU . . . . . . . . . . . . . 95.2 mt -93.47 160.7 14.68 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.205 173.023 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 181' ' ' LYS . . . . . . . . . . . . . 94.8 mttt -103.0 159.96 27.66 Favored Pre-proline 0 C--N 1.327 -0.388 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.259 -175.572 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 182' ' ' PRO . . . . . . . . . . . . . 65.9 Cg_exo -54.14 147.82 42.72 Favored 'Trans proline' 0 N--CA 1.458 -0.579 0 C-N-CA 121.692 1.595 . . . . 0.0 111.22 179.06 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 183' ' ' PHE . . . . . 0.457 ' N ' ' HD1' ' A' ' 183' ' ' PHE . 2.5 m-30 -69.92 124.55 90.89 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.165 -171.629 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 184' ' ' PRO . . . . . . . . . . . . . 83.7 Cg_endo -78.28 0.21 10.11 Favored 'Trans proline' 0 N--CA 1.459 -0.551 0 C-N-CA 121.668 1.579 . . . . 0.0 111.194 177.661 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 185' ' ' VAL . . . . . . . . . . . . . 5.7 m -66.59 -22.14 29.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.23 -175.234 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 186' ' ' SER . . . . . . . . . . . . . 97.7 p -95.29 0.06 53.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.243 178.484 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 187' ' ' HIS . . . . . . . . . . . . . 97.5 m-70 -129.93 -5.06 4.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.217 -176.699 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 188' ' ' ASN . . . . . . . . . . . . . 64.0 t-20 -152.97 105.96 2.65 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.24 -177.877 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 189' ' ' PRO . . . . . . . . . . . . . 51.9 Cg_exo -63.54 -15.08 46.44 Favored 'Trans proline' 0 N--CA 1.458 -0.596 0 C-N-CA 121.753 1.636 . . . . 0.0 111.178 -173.433 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 190' ' ' SER . . . . . . . . . . . . . 60.9 p -64.79 -11.89 41.75 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.17 -173.924 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 191' ' ' PHE . . . . . . . . . . . . . 7.1 p90 -60.05 -24.49 64.6 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.203 176.703 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 192' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -73.6 -10.54 59.81 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.197 179.346 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 193' ' ' ARG . . . . . . . . . . . . . 79.0 ttt180 -99.98 -39.69 8.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.24 176.525 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 194' ' ' LEU . . . . . . . . . . . . . 93.5 mt -65.84 -35.12 79.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.212 -173.701 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 195' ' ' LEU . . . . . 0.48 ' HA ' HD13 ' A' ' 195' ' ' LEU . 1.1 mm? -84.19 -39.99 18.68 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.208 -177.412 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 196' ' ' VAL . . . . . . . . . . . . . 54.2 t -70.5 -36.5 66.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.166 -173.191 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 197' ' ' GLU . . . . . . . . . . . . . 83.9 mt-10 -61.9 -30.42 70.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.201 -179.634 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 198' ' ' THR . . . . . . . . . . . . . 87.0 m -68.6 -55.33 11.93 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.198 178.852 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 199' ' ' ILE . . . . . . . . . . . . . 15.9 tt -68.02 -22.71 28.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.211 -179.249 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 200' ' ' TYR . . . . . . . . . . . . . 92.6 t80 -67.31 -49.61 63.45 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.213 172.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 201' ' ' SER . . . . . . . . . . . . . 91.7 p . . . . . 0 C--O 1.199 -1.562 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.191 179.539 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.543 0 N-CA-C 111.182 -0.767 . . . . 0.0 111.182 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 46.2 pt -99.52 0.0 10.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.712 0.292 . . . . 0.0 111.148 -179.077 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 97.2 mt -68.56 -51.35 47.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.227 -177.601 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -103.6 -29.99 10.76 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.159 -173.505 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 -87.43 153.22 21.61 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.177 -175.141 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 68.0 mmtt -61.03 111.93 1.88 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.198 -172.608 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -125.23 130.24 51.69 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.227 -175.893 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 60.5 tp -106.54 126.45 52.28 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.195 178.338 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 67.0 t80 -106.77 119.93 40.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.291 -177.634 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 89.7 t -105.64 131.83 54.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.162 177.523 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 96.8 m -113.62 123.23 49.45 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.216 -175.855 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 75.2 m -94.62 144.58 25.49 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.257 166.5 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -63.38 138.08 43.06 Favored Glycine 0 CA--C 1.523 0.562 0 N-CA-C 111.243 -0.743 . . . . 0.0 111.243 -178.594 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.16 -34.13 76.97 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.798 0.332 . . . . 0.0 111.236 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 82.4 p -108.47 -24.93 11.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.215 177.68 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 44.2 t -125.01 87.16 55.8 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.236 179.662 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 57.3 Cg_endo -68.29 154.97 70.95 Favored 'Trans proline' 0 N--CA 1.458 -0.58 0 C-N-CA 121.719 1.613 . . . . 0.0 111.184 177.716 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 78.7 m-85 -127.91 75.02 78.61 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.215 -176.519 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 37.9 Cg_endo -66.59 -24.81 47.98 Favored 'Trans proline' 0 N--CA 1.457 -0.62 0 C-N-CA 121.724 1.616 . . . . 0.0 111.169 -179.209 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -64.6 -38.61 91.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.249 179.261 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 95.1 mt -79.74 -35.86 38.16 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.117 -179.816 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 65.6 t -69.99 -29.76 41.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.174 -179.755 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 56.0 p -65.03 -23.16 67.11 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.206 178.824 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 95.6 m -90.1 -39.68 12.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.174 -175.168 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 18.1 m -70.66 -18.27 20.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.171 -178.832 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 96.4 mt -94.07 -6.57 44.81 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.185 177.41 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 47.8 m -77.31 151.3 35.06 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.186 178.374 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 99.1 m-20 -62.42 -34.07 76.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.235 -175.135 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -61.09 -47.42 86.37 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.237 -178.237 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 52.4 t80 -65.53 -46.42 79.66 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.146 176.811 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 87.0 m -64.98 -29.84 70.79 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.212 -175.065 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 72.2 tp60 -64.45 -47.61 78.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.189 176.717 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 69.9 mm-40 -68.69 -37.73 79.78 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.2 175.921 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 48.8 tp -54.93 -53.28 57.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.202 177.583 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 97.7 mt -64.91 -36.36 77.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.242 178.126 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 71.9 tp60 -60.03 -29.99 68.88 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.213 176.926 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 16.5 m-30 -83.77 -6.54 59.46 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.189 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 106.8 -4.69 36.58 Favored Glycine 0 CA--C 1.524 0.615 0 N-CA-C 111.206 -0.757 . . . . 0.0 111.206 177.179 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 57.0 m-85 -88.53 123.33 32.93 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.757 0.313 . . . . 0.0 111.233 -174.58 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 29.3 m -124.6 -4.91 6.45 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.25 -174.255 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 87.0 mtt-85 -122.29 133.83 54.67 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.152 176.731 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 64.5 tp -135.79 114.84 12.26 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.258 -175.163 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 4.7 mp -115.32 120.07 63.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.257 -173.61 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 5.1 mp -110.2 116.13 51.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.21 -177.158 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 10.8 tm0? -86.18 128.81 34.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.296 176.501 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 33.8 p90 -146.58 179.86 7.26 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.135 178.725 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -137.51 89.01 0.21 Allowed Glycine 0 CA--C 1.525 0.667 0 N-CA-C 111.168 -0.773 . . . . 0.0 111.168 -158.546 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 85.3 mtp180 68.0 -107.93 0.09 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.823 0.344 . . . . 0.0 111.172 165.736 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 97.1 m-20 -58.77 -29.89 67.14 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.235 -169.342 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 70.4 t80 -55.57 -33.62 64.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.231 179.186 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 85.9 p -52.91 -31.54 40.46 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.156 -174.399 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 73.6 m -61.68 -39.65 92.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.182 177.493 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 75.6 mm-40 -79.92 -34.25 39.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.255 178.61 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 88.2 t80 -59.09 -48.35 81.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.218 -179.03 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 84.6 tt0 -57.34 -38.62 74.41 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.202 176.516 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 67.0 m170 -69.79 -31.77 69.88 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.227 179.906 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 91.8 mt -70.82 -30.79 67.32 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.203 177.106 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 71.2 t -74.97 -39.09 44.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.212 172.945 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 98.1 mm-40 -79.78 -8.57 59.34 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.184 179.147 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 52.3 tp10 -65.81 -30.01 70.57 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.243 170.178 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 41.0 mmt180 -109.7 -0.04 18.72 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.159 179.468 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 82.02 38.74 12.69 Favored Glycine 0 CA--C 1.524 0.633 0 N-CA-C 111.146 -0.781 . . . . 0.0 111.146 172.479 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -77.64 174.44 54.74 Favored Glycine 0 CA--C 1.523 0.593 0 N-CA-C 111.151 -0.78 . . . . 0.0 111.151 175.874 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 65.5 tp60 -120.85 120.03 34.36 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.81 0.338 . . . . 0.0 111.236 -179.882 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 62.0 ttp85 -82.27 134.97 35.3 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.234 174.328 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -136.28 142.51 43.95 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.238 178.835 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 38.0 t -90.94 105.66 17.98 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.203 179.427 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 90.7 mm-40 -124.93 153.14 43.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.236 -178.613 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -90.77 74.95 6.56 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.201 177.543 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 49.9 mm -65.99 118.46 52.51 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.263 -175.352 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 77.1 Cg_exo -58.96 156.96 30.93 Favored 'Trans proline' 0 N--CA 1.458 -0.617 0 C-N-CA 121.722 1.615 . . . . 0.0 111.189 -174.315 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 96.8 mt -87.33 -40.2 13.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.16 173.322 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 15.7 p-10 -77.27 -16.32 59.04 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.264 -172.874 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 96.8 mm-40 -108.39 -22.77 12.18 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.196 -179.032 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 84.5 m-85 -129.12 -59.99 1.09 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.127 177.354 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 121.46 24.25 2.43 Favored Glycine 0 CA--C 1.523 0.564 0 N-CA-C 111.16 -0.776 . . . . 0.0 111.16 -178.111 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 76.7 m -112.47 147.05 37.34 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.738 0.304 . . . . 0.0 111.203 -178.763 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -97.91 -137.85 9.88 Favored Glycine 0 CA--C 1.524 0.641 0 N-CA-C 111.179 -0.768 . . . . 0.0 111.179 175.482 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 58.4 p-10 -91.1 10.19 27.86 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.801 0.334 . . . . 0.0 111.213 174.19 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 41.8 p -109.44 37.37 2.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.197 179.042 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.402 ' HA ' ' O ' ' A' ' 95' ' ' GLY . . . -141.34 150.95 43.14 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.218 177.118 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 90.2 mmt-85 -135.53 150.48 49.76 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.202 -174.836 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 30.4 tt0 -92.16 129.97 37.99 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.225 -179.799 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 84' ' ' TYR . . . . . 0.457 ' HB2' ' HB ' ' A' ' 93' ' ' VAL . 91.1 m-85 -122.9 120.56 33.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.198 -179.796 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 87.4 t -91.91 121.95 42.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.183 -176.547 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 95.3 mt -127.96 163.37 24.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.221 173.308 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 85.6 mmm 62.39 30.03 17.29 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.222 176.122 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 96.4 m-20 64.97 33.97 9.36 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.202 176.79 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 95.96 -3.15 64.54 Favored Glycine 0 CA--C 1.524 0.603 0 N-CA-C 111.202 -0.759 . . . . 0.0 111.202 175.476 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -79.61 -24.99 41.58 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.783 0.325 . . . . 0.0 111.204 -178.564 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 66.2 tp -116.08 120.07 37.89 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.177 176.625 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -98.65 103.2 15.13 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.224 178.119 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 93' ' ' VAL . . . . . 0.457 ' HB ' ' HB2' ' A' ' 84' ' ' TYR . 81.7 t -97.66 138.47 22.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.164 -177.314 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 86.4 mt -118.84 117.16 53.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.193 175.521 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 95' ' ' GLY . . . . . 0.402 ' O ' ' HA ' ' A' ' 81' ' ' ALA . . . -83.09 120.59 5.2 Favored Glycine 0 CA--C 1.524 0.597 0 N-CA-C 111.196 -0.762 . . . . 0.0 111.196 171.192 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 49.8 t80 -123.77 118.96 28.36 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.821 0.343 . . . . 0.0 111.225 -170.55 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 65.3 t0 -124.69 100.32 6.58 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.192 177.396 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 22.8 t80 -166.42 164.98 17.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.166 179.824 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 82.8 p -70.01 180.0 2.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.161 179.463 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 100' ' ' THR . . . . . 0.403 ' HA ' ' HB2' ' A' ' 103' ' ' GLN . 80.7 p -71.86 -5.85 37.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.166 -171.959 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -59.97 -29.73 68.63 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.158 -179.127 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 66.9 mtt -124.94 -4.91 7.48 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.238 -175.475 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 103' ' ' GLN . . . . . 0.412 ' HB3' ' NH1' ' A' ' 107' ' ' ARG . 78.1 mt-30 -64.43 -44.21 91.91 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.175 172.347 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 75.1 m -69.17 -25.41 64.34 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.21 -176.014 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 96.4 mt -64.13 -48.15 87.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.228 173.425 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 97.8 mt -66.82 -40.18 85.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.17 176.437 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 107' ' ' ARG . . . . . 0.412 ' NH1' ' HB3' ' A' ' 103' ' ' GLN . 86.9 mtm-85 -60.08 -42.57 94.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.14 177.055 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -64.77 -34.85 79.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.238 179.067 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 109' ' ' TYR . . . . . . . . . . . . . 13.9 m-30 -75.91 -35.6 59.73 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.134 178.397 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 59.7 p -70.12 169.75 12.9 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.249 -173.717 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 46.5 m-20 -110.41 -40.61 4.59 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.213 -177.765 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 88.3 mt -124.85 147.82 48.57 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.205 177.332 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 96.9 t -122.46 125.43 72.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.204 173.514 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 87.2 mt -115.96 132.3 65.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.164 176.439 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 13.2 t -157.16 -171.46 3.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.235 175.586 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 59.0 t-80 -103.43 160.7 14.48 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.16 177.107 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -50.8 137.38 20.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.263 172.497 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 161.25 167.4 21.66 Favored Glycine 0 CA--C 1.523 0.59 0 N-CA-C 111.169 -0.772 . . . . 0.0 111.169 -175.144 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 40.5 p -73.63 -69.95 0.4 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.898 0.38 . . . . 0.0 111.2 -173.077 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -57.18 -36.94 77.54 Favored Glycine 0 CA--C 1.523 0.584 0 N-CA-C 111.198 -0.761 . . . . 0.0 111.198 179.637 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 39.3 t -58.22 -57.24 13.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.782 0.325 . . . . 0.0 111.21 -178.892 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 122' ' ' ILE . . . . . . . . . . . . . 93.9 mt -62.28 -38.39 80.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.188 -178.702 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 81.2 mt -61.86 -40.42 95.28 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.237 -175.21 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 87.1 m-20 -62.31 -49.96 73.56 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.189 -165.789 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 21.5 t -69.0 -41.94 77.13 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.212 -176.746 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 94.0 mt -75.32 -17.46 60.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.247 -177.441 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 44.9 ttm105 -59.49 -39.05 82.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.13 172.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 87.1 mt -103.58 4.89 36.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.255 178.567 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 92.8 m-20 64.98 34.49 8.88 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.156 177.474 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 33.3 mmtp -92.95 147.05 33.17 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.203 177.141 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_exo -53.5 126.69 22.57 Favored 'Trans proline' 0 N--CA 1.458 -0.588 0 C-N-CA 121.742 1.628 . . . . 0.0 111.188 178.779 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 53.6 tp -118.54 130.85 56.14 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.118 -175.628 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 5.4 mp -109.93 117.03 53.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.103 -0.498 . . . . 0.0 111.224 172.07 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 95.0 t -108.77 114.96 48.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.219 -173.679 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 135' ' ' CYS . . . . . . . . . . . . . 93.0 m -78.27 131.27 37.02 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.239 170.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 82.4 t -118.53 106.01 18.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.241 -178.023 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 48.7 p30 -84.88 -171.81 3.84 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.174 176.47 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 58.1 p-10 -90.87 10.06 27.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.221 -171.902 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 57.5 m -88.39 -27.64 21.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.244 177.939 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 50.1 tp -71.74 129.37 38.49 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.223 177.243 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 141' ' ' MET . . . . . . . . . . . . . 59.0 ttm -58.32 136.92 57.48 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.254 -177.446 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 98.8 m-20 -55.52 -37.52 68.02 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.194 -179.126 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 99.6 m-20 -62.59 -35.57 79.95 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.206 176.128 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 144' ' ' HIS . . . . . . . . . . . . . 66.0 m170 -71.28 -37.69 71.86 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.197 176.428 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 145' ' ' GLN . . . . . . . . . . . . . 80.8 mt-30 -60.46 -34.73 74.43 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.249 -179.616 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 146' ' ' GLN . . . . . . . . . . . . . 88.8 mt-30 -71.64 -24.53 61.88 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.257 178.753 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 147' ' ' GLN . . . . . . . . . . . . . 99.8 mm-40 -100.52 -11.61 19.98 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.21 -179.152 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 148' ' ' ILE . . . . . . . . . . . . . 97.9 mt -113.87 -69.86 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.201 -178.43 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -64.99 -45.28 86.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.182 -173.326 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 96.5 m-20 -71.91 -36.33 69.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.217 -176.293 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 151' ' ' LYS . . . . . . . . . . . . . 47.4 mmtm -79.73 -38.13 34.0 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.188 -174.597 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 152' ' ' PHE . . . . . 0.424 ' HB3' ' HB ' ' A' ' 158' ' ' VAL . 8.1 m-30 -55.05 -47.07 75.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.202 179.55 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 153' ' ' VAL . . . . . . . . . . . . . 70.1 t -76.71 -45.39 32.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.153 -179.192 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 89.1 tt0 -54.61 -40.15 68.61 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.216 178.724 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 155' ' ' LEU . . . . . . . . . . . . . 96.0 mt -84.86 -25.15 28.21 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.25 -177.3 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . 84.99 40.78 7.88 Favored Glycine 0 CA--C 1.523 0.554 0 N-CA-C 111.222 -0.751 . . . . 0.0 111.222 169.942 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 157' ' ' TYR . . . . . . . . . . . . . 69.2 m-85 -119.21 -30.07 5.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.807 0.337 . . . . 0.0 111.205 178.677 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 158' ' ' VAL . . . . . 0.424 ' HB ' ' HB3' ' A' ' 152' ' ' PHE . 77.5 t -141.04 141.31 31.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.224 179.036 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 159' ' ' TRP . . . . . . . . . . . . . 72.6 t-105 -101.56 120.0 39.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.186 179.22 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 160' ' ' SER . . . . . . . . . . . . . 92.0 p -89.42 152.91 21.23 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.193 176.671 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 161' ' ' CYS . . . . . . . . . . . . . 28.7 p -155.01 175.01 14.36 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.19 177.831 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -80.61 145.49 58.72 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.251 175.602 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 163' ' ' PRO . . . . . . . . . . . . . 85.3 Cg_endo -79.49 63.97 8.79 Favored 'Trans proline' 0 N--CA 1.458 -0.599 0 C-N-CA 121.682 1.588 . . . . 0.0 111.216 -179.265 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 164' ' ' THR . . . . . . . . . . . . . 25.0 p -134.39 174.42 10.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.109 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 165' ' ' GLU . . . . . . . . . . . . . 24.5 pm0 -70.55 -10.89 60.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.199 177.02 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 166' ' ' THR . . . . . . . . . . . . . 82.5 p -103.55 -30.14 10.7 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.24 179.501 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 167' ' ' GLY . . . . . . . . . . . . . . . -75.13 -31.39 57.61 Favored Glycine 0 CA--C 1.523 0.555 0 N-CA-C 111.157 -0.777 . . . . 0.0 111.157 175.973 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 168' ' ' LEU . . . . . . . . . . . . . 76.3 mt -66.1 -42.79 88.77 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.843 0.354 . . . . 0.0 111.19 174.957 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 93.1 mt -69.99 -43.27 79.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.169 177.388 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 170' ' ' ALA . . . . . . . . . . . . . . . -61.96 -44.36 96.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.269 -179.909 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 171' ' ' GLY . . . . . . . . . . . . . . . -68.72 -39.67 85.91 Favored Glycine 0 CA--C 1.523 0.547 0 N-CA-C 111.194 -0.762 . . . . 0.0 111.194 178.433 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 65.4 tp -56.11 -48.21 76.62 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.803 0.335 . . . . 0.0 111.24 175.868 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 173' ' ' ARG . . . . . . . . . . . . . 38.7 ttm180 -65.51 -44.36 87.21 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.232 177.22 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -61.24 -38.97 88.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.175 -174.521 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 88.0 p -69.9 -22.01 63.26 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.254 -179.001 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 176' ' ' GLN . . . . . . . . . . . . . 50.1 tt0 -85.13 -36.34 21.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.174 177.355 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 177' ' ' THR . . . . . . . . . . . . . 81.3 p -87.53 -19.86 27.3 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.18 -177.471 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 178' ' ' GLU . . . . . . . . . . . . . 93.5 mt-10 -125.0 94.83 4.29 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.233 178.717 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 179' ' ' LYS . . . . . . . . . . . . . 88.6 tttt -57.73 123.61 16.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.213 179.519 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 180' ' ' LEU . . . . . . . . . . . . . 95.7 mt -88.46 145.06 25.98 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.246 179.217 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 181' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -84.26 156.8 62.89 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.206 -176.707 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 182' ' ' PRO . . . . . . . . . . . . . 59.6 Cg_endo -68.52 154.61 71.33 Favored 'Trans proline' 0 N--CA 1.459 -0.54 0 C-N-CA 121.683 1.589 . . . . 0.0 111.168 175.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 183' ' ' PHE . . . . . . . . . . . . . 17.9 t80 -71.02 134.43 85.52 Favored Pre-proline 0 C--N 1.328 -0.361 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.263 -173.901 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 184' ' ' PRO . . . . . . . . . . . . . 84.6 Cg_exo -56.13 -41.45 76.62 Favored 'Trans proline' 0 N--CA 1.458 -0.608 0 C-N-CA 121.694 1.596 . . . . 0.0 111.218 -174.738 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 185' ' ' VAL . . . . . . . . . . . . . 90.5 t -86.79 122.41 38.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.17 -168.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 186' ' ' SER . . . . . . . . . . . . . 96.2 p -101.21 -8.3 22.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.239 176.35 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 187' ' ' HIS . . . . . . . . . . . . . 96.2 m-70 -78.14 140.66 39.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.122 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 188' ' ' ASN . . . . . 0.488 ' N ' ' HD2' ' A' ' 189' ' ' PRO . 98.1 m-20 -69.85 -49.89 18.9 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.137 -171.332 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 189' ' ' PRO . . . . . 0.488 ' HD2' ' N ' ' A' ' 188' ' ' ASN . 72.3 Cg_endo -78.26 -27.91 5.08 Favored 'Trans proline' 0 N--CA 1.458 -0.594 0 C-N-CA 121.695 1.596 . . . . 0.0 111.271 -173.741 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 190' ' ' SER . . . . . . . . . . . . . 70.4 m -80.0 -31.39 39.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.204 177.255 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 191' ' ' PHE . . . . . . . . . . . . . 91.6 t80 -57.72 -51.03 71.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.225 175.697 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 192' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -68.12 -51.04 50.69 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.266 177.92 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 193' ' ' ARG . . . . . . . . . . . . . 79.1 ttt180 -44.03 -48.13 8.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.147 178.885 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 194' ' ' LEU . . . . . 0.474 HD23 ' O ' ' A' ' 194' ' ' LEU . 5.1 tt -62.61 -47.37 84.05 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.128 -178.852 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 195' ' ' LEU . . . . . . . . . . . . . 94.1 mt -95.19 7.72 45.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.145 -169.661 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 196' ' ' VAL . . . . . . . . . . . . . 76.7 t -121.52 -39.09 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.19 177.828 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 197' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -113.27 -48.03 2.98 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.231 -173.408 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 198' ' ' THR . . . . . . . . . . . . . 95.1 m -64.38 -50.09 69.05 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.278 -171.004 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 199' ' ' ILE . . . . . . . . . . . . . 47.2 pt -78.04 -11.83 13.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.187 -178.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 200' ' ' TYR . . . . . . . . . . . . . 57.3 m-85 -107.15 15.44 25.16 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.236 178.081 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 201' ' ' SER . . . . . . . . . . . . . 43.3 t . . . . . 0 C--O 1.2 -1.519 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.25 176.643 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.618 0 N-CA-C 111.178 -0.769 . . . . 0.0 111.178 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 97.0 mt -70.64 -46.83 67.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-O 120.785 0.326 . . . . 0.0 111.231 -179.77 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 43.7 pt -115.05 19.93 6.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.261 178.377 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -125.44 153.84 42.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.194 -175.294 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -73.45 129.85 38.87 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.135 178.405 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 90.3 mttt -93.95 145.5 24.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.166 -176.184 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.403 ' HB3' ' HA ' ' A' ' 110' ' ' SER . . . -112.55 127.38 56.06 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.235 178.286 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 22.9 tp -103.4 136.82 42.45 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.184 179.391 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 2.0 t80 -111.87 109.61 19.5 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.237 -179.714 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 87.6 t -106.56 114.99 47.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.174 178.31 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 78.5 p -87.37 134.31 33.59 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.225 179.193 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 20.0 t -144.72 70.27 1.28 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.253 173.006 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -78.34 -175.52 45.37 Favored Glycine 0 CA--C 1.523 0.594 0 N-CA-C 111.147 -0.781 . . . . 0.0 111.147 -179.827 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -57.89 -36.68 72.75 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.817 0.342 . . . . 0.0 111.203 -175.082 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 82.7 p -91.41 5.17 50.41 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.188 -172.712 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 96.0 t -97.68 108.39 45.3 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.19 179.396 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 94.7 Cg_endo -75.31 -109.64 0.01 OUTLIER 'Trans proline' 0 N--CA 1.458 -0.609 0 C-N-CA 121.691 1.594 . . . . 0.0 111.217 175.207 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 95.4 m-85 53.41 57.98 13.73 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.21 176.37 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 38.7 Cg_endo -64.49 -18.93 64.59 Favored 'Trans proline' 0 N--CA 1.459 -0.551 0 C-N-CA 121.716 1.61 . . . . 0.0 111.168 178.447 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 74.0 mmtt -78.37 -33.11 49.13 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.231 177.315 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 70.7 mt -78.57 -26.47 45.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.219 177.32 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 55.7 t -61.28 -38.79 80.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.22 171.493 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 99.2 p -82.26 -27.55 32.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.162 178.047 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 41.8 t -66.11 -46.34 77.95 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.178 -176.497 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 16.3 m -62.54 -19.83 23.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.179 -170.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 91.5 mt -119.53 35.55 4.8 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.246 176.11 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 57.6 p -96.34 163.0 13.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.251 172.338 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 97.5 m-20 -70.02 -39.74 75.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.213 178.732 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -70.23 -42.61 72.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.228 -178.154 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 70.6 t80 -60.74 -54.73 41.64 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.157 179.022 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 96.7 m -64.94 -35.21 80.43 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.247 -174.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 65.8 tt0 -59.6 -58.33 9.05 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.173 179.597 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 90.6 mt-10 -75.04 -26.73 59.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.192 -176.017 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 46.5 tp -53.02 -50.73 63.66 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.267 172.654 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 91.5 mt -60.87 -38.25 78.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.172 176.086 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 88.8 mt-30 -67.74 -20.0 65.2 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.234 178.926 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 22.6 m-30 -84.46 -5.98 59.34 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.191 176.302 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 103.01 0.64 48.35 Favored Glycine 0 CA--C 1.523 0.567 0 N-CA-C 111.224 -0.751 . . . . 0.0 111.224 179.034 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 89.5 m-85 -100.11 99.85 10.63 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.773 0.321 . . . . 0.0 111.212 -175.167 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 31.6 m -103.88 -8.93 9.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.164 172.554 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 83.9 mtt180 -105.28 113.3 26.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.168 172.281 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.433 ' HB3' HG22 ' A' ' 93' ' ' VAL . 58.5 tp -113.5 110.23 19.93 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.237 -179.222 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 93.3 mt -98.52 122.71 50.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.168 177.295 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 65.1 mt -123.21 115.79 46.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.235 178.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 51.4 tt0 -105.23 119.64 39.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.148 -178.1 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 38.9 p90 -151.1 167.32 28.08 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.205 -169.864 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -104.36 -170.75 24.86 Favored Glycine 0 CA--C 1.524 0.629 0 N-CA-C 111.223 -0.751 . . . . 0.0 111.223 -176.1 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -72.87 -30.05 63.67 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.747 0.308 . . . . 0.0 111.198 -175.613 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 99.2 m-20 -66.75 -27.7 67.81 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.228 179.716 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 93.7 m-85 -98.55 -22.01 16.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.277 -176.235 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 75.4 p -62.8 -18.98 63.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.208 174.737 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 96.0 p -64.94 -16.04 62.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.248 177.177 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 74.1 mm-40 -103.0 -45.08 5.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.155 179.021 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 59.9 m-85 -61.38 -28.6 69.36 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.238 -170.337 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 -70.02 -24.18 63.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.215 -178.085 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 99.6 m-70 -111.88 -13.94 13.59 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.205 -172.782 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 57.3 mt -65.2 -35.21 80.34 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.189 177.547 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 33.5 m -77.0 -25.23 15.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.2 176.677 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 89.4 mt-30 -72.94 -24.9 60.87 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.108 175.715 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -90.62 8.44 34.2 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.218 176.777 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 90.6 mmt-85 -129.38 -1.17 5.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.206 177.133 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 75.01 26.24 67.15 Favored Glycine 0 CA--C 1.523 0.535 0 N-CA-C 111.191 -0.764 . . . . 0.0 111.191 174.745 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -98.33 -175.71 32.93 Favored Glycine 0 CA--C 1.523 0.589 0 N-CA-C 111.224 -0.75 . . . . 0.0 111.224 -179.178 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 93.7 mm-40 -122.04 174.19 7.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.799 0.333 . . . . 0.0 111.219 -179.837 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 41.1 ptt85 -166.34 153.47 9.56 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.242 175.491 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 89.1 tt0 -162.08 140.01 8.81 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.208 -178.895 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 37.5 t -57.17 116.92 3.55 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.204 176.915 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 63.3 tp60 -131.19 116.03 17.14 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.171 -176.434 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 88.6 tttt -64.94 125.1 23.83 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.163 172.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 51.1 mm -91.18 128.3 47.95 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.193 -179.386 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 77.3 Cg_exo -53.61 143.55 56.44 Favored 'Trans proline' 0 N--CA 1.457 -0.632 0 C-N-CA 121.704 1.603 . . . . 0.0 111.231 179.487 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 91.3 mt -57.19 -35.84 49.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.243 -177.013 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 98.9 m-20 -52.46 -39.39 61.06 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.221 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 64.8 mt-30 -86.45 -42.57 13.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.196 178.425 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 85.6 t80 -156.37 118.12 3.91 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.273 179.55 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -65.4 144.71 47.84 Favored Glycine 0 CA--C 1.523 0.553 0 N-CA-C 111.226 -0.749 . . . . 0.0 111.226 179.635 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 34.5 t 44.92 62.06 2.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.83 0.348 . . . . 0.0 111.284 -174.626 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -103.2 34.69 5.56 Favored Glycine 0 CA--C 1.523 0.562 0 N-CA-C 111.196 -0.762 . . . . 0.0 111.196 -179.296 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 57.2 p-10 -90.79 8.11 36.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.745 0.307 . . . . 0.0 111.185 -177.818 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 77.5 p -114.96 5.42 15.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.226 173.553 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -81.05 166.0 21.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.186 -177.083 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 32.6 ttm180 -140.06 130.81 25.85 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.201 177.182 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 62.4 tt0 -82.17 132.04 35.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.219 178.746 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 84' ' ' TYR . . . . . 0.519 ' HB2' ' HB ' ' A' ' 93' ' ' VAL . 88.4 m-85 -115.5 139.99 49.56 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.195 174.325 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 61.6 t -109.99 99.6 9.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.244 -172.531 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.438 HD13 ' HA ' ' A' ' 86' ' ' LEU . 2.5 mm? -117.07 159.25 22.84 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.18 -176.787 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 94.0 mmm 60.25 30.77 20.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.21 -179.25 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 96.4 m-20 65.05 31.22 11.29 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.234 -179.867 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 95.04 -3.35 66.89 Favored Glycine 0 CA--C 1.523 0.575 0 N-CA-C 111.21 -0.756 . . . . 0.0 111.21 176.182 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -75.34 -24.99 57.42 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.876 0.369 . . . . 0.0 111.222 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 52.4 tp -112.48 123.97 51.46 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.23 177.146 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -95.89 100.31 12.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.204 179.884 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 93' ' ' VAL . . . . . 0.519 ' HB ' ' HB2' ' A' ' 84' ' ' TYR . 60.8 t -104.9 113.42 41.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.242 -175.696 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 44.4 mm -110.0 124.18 66.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.236 -177.277 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -100.01 140.06 14.74 Favored Glycine 0 CA--C 1.523 0.557 0 N-CA-C 111.239 -0.744 . . . . 0.0 111.239 178.133 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 96.4 m-85 -123.46 149.87 44.56 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.853 0.359 . . . . 0.0 111.231 179.63 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 68.1 t0 -72.97 116.04 13.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.179 172.16 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 73.6 t80 -47.92 121.43 4.17 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.161 -171.503 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 52.4 m -142.01 120.5 12.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.173 178.101 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 94.7 m -65.58 -36.57 84.14 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.234 -173.726 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -74.87 -15.91 60.7 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.145 -175.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 66.6 mtt -106.06 7.5 31.86 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.16 -174.887 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 77.7 mt-30 -64.63 -44.49 90.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.154 179.495 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 66.8 m -64.72 -29.75 70.74 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.23 -176.73 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 96.9 mt -59.98 -48.43 87.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.169 175.86 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 96.7 mt -70.24 -41.56 78.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.183 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 89.1 mtm-85 -59.46 -43.61 93.16 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.16 -178.591 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 95.9 m-20 -63.19 -41.47 99.2 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.185 178.523 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 109' ' ' TYR . . . . . . . . . . . . . 72.8 t80 -71.29 -33.74 70.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.166 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 110' ' ' SER . . . . . 0.403 ' HA ' ' HB3' ' A' ' 7' ' ' ALA . 78.9 p -73.68 172.45 11.41 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.158 -171.592 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 54.9 m-20 -113.98 -34.6 5.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.198 173.862 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 56.5 tp -132.68 119.96 21.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.148 179.42 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 88.5 t -100.86 133.29 44.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.306 -176.205 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 114' ' ' ILE . . . . . 0.426 HD13 HD11 ' A' ' 168' ' ' LEU . 64.0 mt -113.46 113.67 44.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.174 178.456 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 47.2 t -100.39 154.22 18.69 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.194 176.58 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 80.4 m80 -125.88 113.38 17.14 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.194 -173.112 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . 50.38 47.63 23.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.213 174.294 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 164.63 -166.55 38.01 Favored Glycine 0 CA--C 1.524 0.633 0 N-CA-C 111.21 -0.756 . . . . 0.0 111.21 179.198 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 40.6 p -115.39 -108.08 0.37 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.745 0.307 . . . . 0.0 111.215 176.643 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 60.64 16.22 44.05 Favored Glycine 0 CA--C 1.523 0.54 0 N-CA-C 111.201 -0.76 . . . . 0.0 111.201 -178.373 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 20.0 m -141.05 -29.82 0.64 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.736 0.303 . . . . 0.0 111.162 -169.082 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 122' ' ' ILE . . . . . . . . . . . . . 41.4 pt -75.26 -16.02 15.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.282 -172.194 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 97.8 mt -66.37 -35.35 80.12 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.22 -174.654 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 70.8 m-20 -96.48 -32.77 12.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.227 178.594 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 33.5 t -60.84 -50.52 73.09 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.148 -179.777 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 89.9 mt -65.46 -44.41 87.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.186 -173.936 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 51.2 ptt85 -69.08 -21.86 64.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.24 -174.289 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 94.5 mt -102.4 6.85 40.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.192 -176.757 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 77.3 m-20 64.53 35.81 9.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.216 177.846 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 89.7 mttt -106.07 141.48 22.82 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.2 -178.178 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 58.5 Cg_endo -68.14 152.78 76.0 Favored 'Trans proline' 0 N--CA 1.458 -0.606 0 C-N-CA 121.695 1.597 . . . . 0.0 111.215 175.497 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 132' ' ' LEU . . . . . 0.446 ' O ' ' HA ' ' A' ' 158' ' ' VAL . 5.2 tt -140.35 129.75 23.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.173 179.578 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 96.6 mt -95.93 141.69 14.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.24 174.782 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 97.7 t -118.94 119.99 62.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.143 174.464 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 135' ' ' CYS . . . . . . . . . . . . . 89.6 m -89.82 134.07 34.39 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.102 174.506 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 136' ' ' VAL . . . . . 0.453 HG11 ' HG2' ' A' ' 145' ' ' GLN . 66.0 t -105.55 134.93 45.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.142 -175.25 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 47.7 p30 -81.17 -175.0 5.2 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.203 -172.825 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 56.4 p-10 -102.4 18.62 20.64 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.258 -176.492 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 67.1 m -107.61 -34.97 6.85 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.236 -179.746 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 40.4 tp -61.13 134.82 57.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.199 174.975 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 141' ' ' MET . . . . . . . . . . . . . 59.8 ttm -55.82 136.41 51.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.204 179.851 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 98.9 m-20 -52.97 -39.69 63.16 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.151 -176.185 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 99.2 m-20 -65.05 -35.53 81.45 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.145 176.935 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 144' ' ' HIS . . . . . . . . . . . . . 66.6 m170 -74.63 -27.42 60.44 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.144 179.568 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 145' ' ' GLN . . . . . 0.453 ' HG2' HG11 ' A' ' 136' ' ' VAL . 82.2 mt-30 -64.54 -43.17 94.81 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.166 177.521 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 146' ' ' GLN . . . . . . . . . . . . . 73.2 tp60 -70.27 -34.26 72.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.188 174.802 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 147' ' ' GLN . . . . . . . . . . . . . 72.1 tp60 -60.41 -43.82 96.35 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.232 -179.465 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 148' ' ' ILE . . . . . . . . . . . . . 42.4 pt -80.06 -24.2 11.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.173 -179.788 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -68.91 -35.54 76.95 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.196 175.291 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 97.2 m-20 -66.07 -32.25 73.6 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.197 177.404 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 151' ' ' LYS . . . . . 0.417 ' HD3' ' HA ' ' A' ' 151' ' ' LYS . 69.0 mmtt -81.1 -30.32 34.67 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.25 179.657 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 152' ' ' PHE . . . . . . . . . . . . . 19.0 m-30 -63.24 -42.33 99.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.247 171.736 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 153' ' ' VAL . . . . . . . . . . . . . 62.5 t -69.5 -40.54 79.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.15 176.329 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 40.8 tt0 -52.9 -43.54 66.27 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.234 176.429 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 155' ' ' LEU . . . . . . . . . . . . . 56.7 tp -65.97 -52.17 51.99 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.19 174.018 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . 96.32 -5.15 65.1 Favored Glycine 0 CA--C 1.523 0.577 0 N-CA-C 111.143 -0.783 . . . . 0.0 111.143 174.53 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 157' ' ' TYR . . . . . . . . . . . . . 42.1 m-85 -112.12 -1.68 15.22 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.876 0.37 . . . . 0.0 111.235 -178.081 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 158' ' ' VAL . . . . . 0.446 ' HA ' ' O ' ' A' ' 132' ' ' LEU . 73.4 t -130.57 140.97 47.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.158 -179.661 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 159' ' ' TRP . . . . . . . . . . . . . 15.9 m-90 -129.36 140.39 51.39 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.256 -179.614 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 160' ' ' SER . . . . . . . . . . . . . 30.2 t -87.95 131.33 34.65 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.18 179.806 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 161' ' ' CYS . . . . . 0.405 ' SG ' ' HA3' ' A' ' 171' ' ' GLY . 91.1 m -115.49 145.09 42.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.225 173.372 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -78.97 156.16 77.19 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.131 175.662 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 163' ' ' PRO . . . . . . . . . . . . . 88.4 Cg_endo -78.91 61.3 8.07 Favored 'Trans proline' 0 N--CA 1.459 -0.559 0 C-N-CA 121.685 1.59 . . . . 0.0 111.223 -179.584 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 164' ' ' THR . . . . . . . . . . . . . 12.8 p -133.29 -179.87 5.78 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.223 179.841 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 165' ' ' GLU . . . . . . . . . . . . . 99.8 mt-10 -81.24 4.93 18.63 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.215 176.912 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 166' ' ' THR . . . . . . . . . . . . . 82.7 p -127.8 -24.57 3.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.173 -174.724 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 167' ' ' GLY . . . . . . . . . . . . . . . -58.68 -45.8 94.25 Favored Glycine 0 CA--C 1.523 0.581 0 N-CA-C 111.175 -0.77 . . . . 0.0 111.175 -174.962 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 168' ' ' LEU . . . . . 0.426 HD11 HD13 ' A' ' 114' ' ' ILE . 39.4 tp -68.48 -36.66 79.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.772 0.32 . . . . 0.0 111.109 -176.601 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 97.1 mt -59.42 -43.11 89.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.208 179.217 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 170' ' ' ALA . . . . . . . . . . . . . . . -64.93 -37.99 89.49 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.145 176.784 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 171' ' ' GLY . . . . . 0.405 ' HA3' ' SG ' ' A' ' 161' ' ' CYS . . . -64.97 -38.84 95.97 Favored Glycine 0 CA--C 1.523 0.571 0 N-CA-C 111.229 -0.748 . . . . 0.0 111.229 177.603 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 82.5 mt -64.18 -40.56 96.36 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.841 0.353 . . . . 0.0 111.227 178.004 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 173' ' ' ARG . . . . . . . . . . . . . 29.6 ttm180 -65.02 -41.11 95.6 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.179 175.241 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -64.98 -37.92 89.26 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.241 -177.607 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 59.5 p -65.05 -27.17 68.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.216 -177.495 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 176' ' ' GLN . . . . . . . . . . . . . 90.9 mm-40 -98.67 -26.25 14.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.213 -177.04 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 177' ' ' THR . . . . . . . . . . . . . 90.1 m -72.58 -39.96 66.99 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.194 178.42 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 178' ' ' GLU . . . . . . . . . . . . . 71.1 tt0 -85.55 109.16 18.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.188 -175.26 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 179' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -62.65 130.34 44.55 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.19 177.686 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 180' ' ' LEU . . . . . . . . . . . . . 58.4 mt -108.65 155.2 20.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.13 -175.635 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 181' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -113.19 156.63 42.72 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.233 170.415 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 182' ' ' PRO . . . . . . . . . . . . . 76.3 Cg_exo -52.48 134.87 53.77 Favored 'Trans proline' 0 N--CA 1.458 -0.602 0 C-N-CA 121.63 1.553 . . . . 0.0 111.207 178.705 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 183' ' ' PHE . . . . . 0.68 ' N ' ' HD1' ' A' ' 183' ' ' PHE . 0.5 OUTLIER -70.09 124.92 91.65 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.157 -173.612 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 184' ' ' PRO . . . . . . . . . . . . . 73.8 Cg_exo -49.97 119.7 5.17 Favored 'Trans proline' 0 N--CA 1.458 -0.592 0 C-N-CA 121.733 1.622 . . . . 0.0 111.168 175.4 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 185' ' ' VAL . . . . . . . . . . . . . 74.9 t -66.2 -37.63 80.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.164 -174.466 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 186' ' ' SER . . . . . . . . . . . . . 96.2 p -68.65 -15.77 63.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.188 -178.514 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 187' ' ' HIS . . . . . . . . . . . . . 96.1 m-70 -115.95 26.36 10.04 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.239 -178.766 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 188' ' ' ASN . . . . . 0.451 ' N ' ' HD2' ' A' ' 189' ' ' PRO . 95.4 m-20 -61.59 -50.97 80.06 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.181 170.645 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 189' ' ' PRO . . . . . 0.451 ' HD2' ' N ' ' A' ' 188' ' ' ASN . 93.7 Cg_endo -76.26 -20.3 14.56 Favored 'Trans proline' 0 N--CA 1.457 -0.639 0 C-N-CA 121.656 1.571 . . . . 0.0 111.238 179.51 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 190' ' ' SER . . . . . . . . . . . . . 71.9 m -68.12 -41.93 80.99 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.159 172.313 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 191' ' ' PHE . . . . . . . . . . . . . 16.6 m-30 -67.79 -37.86 82.6 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.178 176.777 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 192' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -63.07 -49.33 74.93 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.191 177.843 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 193' ' ' ARG . . . . . . . . . . . . . 80.4 ttt180 -60.98 -41.91 97.37 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.242 178.07 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 194' ' ' LEU . . . . . . . . . . . . . 62.7 tp -56.23 -54.9 39.81 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.205 177.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 195' ' ' LEU . . . . . . . . . . . . . 90.9 mt -72.13 -30.56 65.17 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.196 -170.165 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 196' ' ' VAL . . . . . . . . . . . . . 52.7 t -69.91 -49.66 54.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.198 176.168 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 197' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -66.22 -30.4 70.84 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.211 179.411 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 198' ' ' THR . . . . . . . . . . . . . 59.0 m -78.57 -53.58 7.05 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.181 -179.147 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 199' ' ' ILE . . . . . . . . . . . . . 84.6 mt -66.43 -37.24 79.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.179 -176.325 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 200' ' ' TYR . . . . . . . . . . . . . 85.7 m-85 -101.46 26.89 6.76 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.25 179.428 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 201' ' ' SER . . . . . . . . . . . . . 42.2 t . . . . . 0 C--O 1.199 -1.558 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.227 178.558 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.584 0 N-CA-C 111.179 -0.768 . . . . 0.0 111.179 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 97.0 mt -70.08 -47.09 70.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-O 120.78 0.324 . . . . 0.0 111.179 179.483 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 45.4 pt -115.05 13.39 8.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.221 176.957 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 73.6 mm-40 -119.96 175.24 6.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.175 -178.049 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -86.01 126.42 34.14 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.242 179.708 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.411 ' HB2' ' HA ' ' A' ' 39' ' ' PHE . 96.3 mttt -87.49 151.44 23.02 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.216 173.221 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -107.86 130.73 54.98 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.167 -175.099 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 21.5 tp -113.64 109.58 18.83 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.243 176.341 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 60.5 t80 -94.34 117.25 29.83 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.216 -176.732 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 59.5 t -115.04 118.36 58.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.186 -179.771 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 52.1 m -99.14 115.03 28.11 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.215 175.784 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 74.0 m -87.45 129.56 35.01 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.227 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -113.8 -167.05 16.22 Favored Glycine 0 CA--C 1.523 0.591 0 N-CA-C 111.218 -0.753 . . . . 0.0 111.218 -177.495 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -78.83 -22.45 46.14 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.779 0.323 . . . . 0.0 111.174 179.036 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 8.9 t -85.05 175.01 9.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.184 179.019 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 64.9 t 52.64 114.97 0.01 OUTLIER Pre-proline 0 C--N 1.329 -0.287 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.257 -167.525 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.407 ' O ' ' N ' ' A' ' 21' ' ' LEU . 76.9 Cg_exo -53.15 143.31 52.05 Favored 'Trans proline' 0 N--CA 1.459 -0.535 0 C-N-CA 121.697 1.598 . . . . 0.0 111.148 -177.672 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' PHE . . . . . 0.535 ' N ' ' HD2' ' A' ' 19' ' ' PRO . 10.5 m-30 -55.05 -48.52 95.86 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.228 -171.779 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.535 ' HD2' ' N ' ' A' ' 18' ' ' PHE . 72.9 Cg_endo -74.34 -13.55 23.0 Favored 'Trans proline' 0 N--CA 1.459 -0.501 0 C-N-CA 121.685 1.59 . . . . 0.0 111.118 -177.953 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -102.87 0.3 32.31 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.239 172.142 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.463 HD23 ' C ' ' A' ' 21' ' ' LEU . 7.1 tt -95.16 -50.01 5.25 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.152 178.924 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 76.4 t -80.25 -34.33 14.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.194 -174.077 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 93.3 p -65.06 -19.76 66.15 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.279 -175.242 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 99.4 m -65.12 -42.65 93.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.208 179.35 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 33.0 m -95.67 -15.06 7.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.239 -174.511 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.467 HD23 ' HB2' ' A' ' 57' ' ' LEU . 2.6 mp -100.04 16.85 22.65 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.192 173.296 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 83.9 p -79.53 165.0 23.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.137 171.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 46.4 m-20 -80.38 -34.25 36.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.184 177.03 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -72.27 -38.6 68.78 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.144 -177.432 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 56.4 t80 -65.02 -51.27 62.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.239 176.447 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 95.5 m -68.13 -29.81 68.8 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.17 -176.42 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 65.2 tt0 -52.57 -58.15 7.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.18 178.558 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 92.8 mt-10 -75.41 -33.11 60.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.18 -179.541 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 31.9 tp -52.69 -49.74 64.71 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.173 178.941 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 43.6 mm -65.94 -39.16 83.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.121 178.83 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 87.3 mt-30 -68.2 -20.87 64.88 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.181 178.662 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 19.4 m-30 -87.63 -8.42 56.23 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.163 177.699 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 98.28 8.85 54.61 Favored Glycine 0 CA--C 1.523 0.582 0 N-CA-C 111.17 -0.772 . . . . 0.0 111.17 172.743 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.411 ' HA ' ' HB2' ' A' ' 6' ' ' LYS . 74.4 m-85 -90.03 123.7 34.14 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.829 0.347 . . . . 0.0 111.172 -177.404 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 78.7 t -125.25 -36.24 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.213 -177.745 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 98.4 mtt180 -90.05 88.35 7.25 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.206 -173.389 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.4 HD23 HG22 ' A' ' 93' ' ' VAL . 54.5 tp -82.31 109.95 17.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.19 178.194 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 73.8 mt -109.15 111.29 35.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.188 -171.502 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 43.8 mm -104.42 114.98 45.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.154 -169.366 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 51.1 tt0 -96.94 126.08 41.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.204 172.017 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' PHE . . . . . 0.457 ' HB2' ' CD1' ' A' ' 50' ' ' TYR . 53.5 p90 -151.17 169.9 20.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.206 178.889 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -94.09 -59.24 1.18 Allowed Glycine 0 CA--C 1.524 0.642 0 N-CA-C 111.248 -0.741 . . . . 0.0 111.248 177.622 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 51.4 ptt85 -170.65 151.7 3.62 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.834 0.35 . . . . 0.0 111.14 179.451 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 52.2 t30 64.95 38.72 6.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.293 178.725 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' TYR . . . . . 0.457 ' CD1' ' HB2' ' A' ' 46' ' ' PHE . 93.3 m-85 -120.31 -43.63 2.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.202 171.469 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 91.0 p -66.63 -15.12 63.24 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.198 174.973 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 94.4 p -67.98 -29.84 68.96 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.283 171.321 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 77.3 mm-40 -79.94 -33.22 39.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.197 177.664 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 44.9 m-85 -61.85 -43.28 99.16 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.191 172.6 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 39.7 tt0 -57.0 -48.47 78.38 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.146 176.625 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 82.0 t60 -57.13 -50.38 72.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.224 -178.475 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.467 ' HB2' HD23 ' A' ' 26' ' ' LEU . 93.7 mt -74.15 -39.11 63.49 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.127 -171.037 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 66.8 t -69.91 -39.85 78.08 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.232 179.679 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 73.1 tp60 -65.04 -36.99 86.12 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.19 172.834 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -63.52 -38.0 89.44 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.208 175.246 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 83.4 mtt-85 -71.01 -30.1 66.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.144 175.36 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 88.46 31.08 14.21 Favored Glycine 0 CA--C 1.523 0.54 0 N-CA-C 111.189 -0.764 . . . . 0.0 111.189 178.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -89.56 -165.07 40.65 Favored Glycine 0 CA--C 1.523 0.545 0 N-CA-C 111.174 -0.77 . . . . 0.0 111.174 179.466 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 97.0 mm-40 -103.89 157.61 16.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.791 0.329 . . . . 0.0 111.207 177.642 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 52.0 ptt85 -166.34 154.96 10.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.125 -173.87 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -154.45 131.05 10.64 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.198 176.159 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 33.3 t -79.51 139.89 37.43 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.149 176.904 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 88.9 mm-40 -117.94 147.88 42.72 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.228 -176.429 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 95.8 mttt -124.34 90.01 3.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.228 168.813 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 79.5 mt -104.57 132.65 20.73 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.153 -163.713 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 74.9 Cg_exo -54.95 130.02 38.45 Favored 'Trans proline' 0 N--CA 1.458 -0.605 0 C-N-CA 121.701 1.601 . . . . 0.0 111.169 179.556 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 97.0 mt -74.12 -39.47 50.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.19 176.067 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 98.3 m-20 -67.04 -26.37 66.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.164 -176.156 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 98.2 mm-40 -98.2 -44.86 6.42 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.166 -174.401 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 90.7 m-85 -115.96 -41.72 3.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.175 -173.894 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 113.05 -13.7 23.99 Favored Glycine 0 CA--C 1.524 0.605 0 N-CA-C 111.195 -0.762 . . . . 0.0 111.195 173.954 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 86.8 m -75.87 161.44 28.98 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.784 0.326 . . . . 0.0 111.198 177.223 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -100.5 -155.25 27.5 Favored Glycine 0 CA--C 1.522 0.53 0 N-CA-C 111.232 -0.747 . . . . 0.0 111.232 -175.762 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 57.7 p-10 -104.71 5.02 33.1 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.852 0.358 . . . . 0.0 111.207 176.727 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 72.1 p -98.27 -5.64 32.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.153 172.294 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -55.81 133.93 51.43 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.237 175.85 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -139.92 144.98 37.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.252 177.944 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 84.9 mt-30 -113.28 142.82 45.38 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.222 179.391 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 84' ' ' TYR . . . . . 0.415 ' HB2' ' HB ' ' A' ' 93' ' ' VAL . 53.5 m-85 -137.42 150.08 47.37 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.158 -176.007 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 74.9 t -118.71 115.11 47.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.149 -179.231 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 93.3 mt -126.92 167.62 15.61 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.204 -175.952 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 98.2 mmm 59.96 30.48 19.98 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.265 178.323 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 96.4 m-20 64.95 33.88 9.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.189 178.142 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 95.9 -3.92 65.25 Favored Glycine 0 CA--C 1.523 0.565 0 N-CA-C 111.245 -0.742 . . . . 0.0 111.245 176.241 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -79.3 -23.76 43.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.814 0.34 . . . . 0.0 111.229 -179.055 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 68.7 tp -115.0 120.05 38.57 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.218 177.064 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 94.1 mttt -106.64 115.1 29.62 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.267 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 93' ' ' VAL . . . . . 0.415 ' HB ' ' HB2' ' A' ' 84' ' ' TYR . 50.5 t -109.38 120.8 61.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.162 -172.87 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 80.9 mt -128.39 118.69 48.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.177 176.947 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -101.71 158.9 18.48 Favored Glycine 0 CA--C 1.523 0.59 0 N-CA-C 111.178 -0.769 . . . . 0.0 111.178 176.14 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 48.9 p90 -154.78 158.34 39.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.818 0.342 . . . . 0.0 111.194 176.619 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 67.7 t0 -82.92 121.24 26.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.218 172.097 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 26.8 p90 -50.09 146.76 4.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.131 -174.083 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 59.5 p -155.03 -177.48 6.57 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.227 179.618 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 75.7 p -95.34 4.83 53.01 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.185 172.856 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 76.0 mmtt -105.93 -24.79 12.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.255 -178.882 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 91.5 mmm -80.07 -8.94 59.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.193 178.232 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 99.1 mm-40 -57.62 -36.82 72.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.192 -173.867 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 45.5 t -67.96 -50.04 58.18 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.213 178.649 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 94.6 mt -59.89 -39.72 80.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.23 -179.866 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 94.9 mt -60.3 -47.38 92.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.193 178.455 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -74.58 -30.03 61.55 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.288 -178.142 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -74.0 -35.04 64.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.179 -178.866 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 109' ' ' TYR . . . . . . . . . . . . . 89.2 m-85 -125.08 80.09 1.85 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.148 -176.278 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 41.2 t -155.31 118.25 4.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.207 176.744 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 60.5 m-20 -110.86 -33.56 6.49 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.223 177.342 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 68.3 tp -128.92 132.02 47.62 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.171 171.487 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 96.0 t -113.62 119.5 61.08 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.189 -176.0 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 114' ' ' ILE . . . . . 0.403 HG12 ' HB ' ' A' ' 133' ' ' ILE . 97.2 mt -107.58 130.05 60.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.147 169.729 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 43.0 t -123.4 133.91 54.03 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.217 179.908 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 99.6 m-70 -100.96 81.95 2.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.161 169.771 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . 57.38 50.63 11.08 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.237 -176.243 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -95.5 -178.9 36.78 Favored Glycine 0 CA--C 1.524 0.644 0 N-CA-C 111.224 -0.75 . . . . 0.0 111.224 172.263 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 45.7 m -124.96 -59.44 1.42 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.864 0.364 . . . . 0.0 111.19 176.323 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -64.89 -32.64 84.88 Favored Glycine 0 CA--C 1.524 0.601 0 N-CA-C 111.22 -0.752 . . . . 0.0 111.22 -176.976 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 75.0 m -66.52 -41.26 89.05 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.903 0.382 . . . . 0.0 111.255 177.948 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 122' ' ' ILE . . . . . . . . . . . . . 63.8 mt -61.05 -44.97 99.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.163 175.231 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 92.3 mt -70.4 -49.3 50.41 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.224 -174.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 87.3 m-20 -71.95 -31.51 66.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.146 -172.466 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 47.2 t -53.49 -45.3 69.61 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.233 173.321 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 96.2 mt -74.72 -32.14 62.05 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.215 179.794 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 51.4 mtp180 -63.26 -31.33 72.45 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.135 175.459 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 95.7 mt -88.35 -5.0 58.57 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.22 178.808 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 56.5 t30 63.28 41.6 7.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.157 -176.218 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 37.9 mmtm -114.39 146.54 36.07 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.233 179.756 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 61.4 Cg_exo -55.02 141.39 79.17 Favored 'Trans proline' 0 N--CA 1.458 -0.607 0 C-N-CA 121.757 1.638 . . . . 0.0 111.174 179.688 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 63.3 tp -121.32 115.19 22.49 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.15 -174.821 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 133' ' ' ILE . . . . . 0.403 ' HB ' HG12 ' A' ' 114' ' ' ILE . 70.5 mt -107.1 126.83 63.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.2 173.405 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 77.6 t -120.44 121.91 66.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.215 179.552 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 135' ' ' CYS . . . . . . . . . . . . . 53.9 t -121.76 113.97 20.44 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.14 -178.22 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 28.3 m -135.05 158.39 41.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.141 -169.583 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 58.1 t-20 -111.49 117.98 34.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.257 171.853 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 97.5 m-20 -55.49 -35.25 65.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.199 -173.133 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 86.7 p -80.93 -15.77 55.37 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.201 -172.056 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 96.1 mt -99.26 -12.87 19.99 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.223 178.613 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 141' ' ' MET . . . . . . . . . . . . . 74.8 mtm -88.57 154.9 19.96 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.198 172.852 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 43.0 p30 -88.5 -179.66 6.11 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.203 174.798 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 98.8 m-20 -60.1 -32.46 71.0 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.149 -173.446 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 144' ' ' HIS . . . . . . . . . . . . . 17.8 t-160 -69.25 -55.07 11.63 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.163 -177.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 145' ' ' GLN . . . . . . . . . . . . . 97.7 mm-40 -72.88 -26.03 61.3 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.194 -171.409 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 146' ' ' GLN . . . . . . . . . . . . . 73.5 mt-30 -61.61 -51.58 67.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.224 173.134 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 147' ' ' GLN . . . . . . . . . . . . . 88.5 mt-30 -65.0 -35.08 80.04 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.174 -179.521 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 148' ' ' ILE . . . . . . . . . . . . . 88.4 mt -62.68 -49.95 81.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.173 177.321 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -62.89 -38.63 91.67 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.162 -178.103 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 98.9 m-20 -63.06 -49.11 75.83 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.178 179.822 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 151' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -71.99 -31.75 66.56 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.212 -178.758 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 152' ' ' PHE . . . . . . . . . . . . . 1.3 t80 -61.68 -50.34 72.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.232 -178.55 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 153' ' ' VAL . . . . . . . . . . . . . 8.3 p -75.67 -25.07 17.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.173 178.898 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -63.41 -39.41 94.41 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.258 175.659 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 155' ' ' LEU . . . . . . . . . . . . . 97.6 mt -74.07 -19.57 60.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.179 179.788 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . 83.76 34.07 19.89 Favored Glycine 0 CA--C 1.523 0.531 0 N-CA-C 111.237 -0.745 . . . . 0.0 111.237 173.48 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 157' ' ' TYR . . . . . . . . . . . . . 34.3 m-85 -113.05 18.66 17.86 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.859 0.361 . . . . 0.0 111.267 179.419 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 158' ' ' VAL . . . . . . . . . . . . . 11.6 p -162.02 150.52 4.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.199 -178.146 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 159' ' ' TRP . . . . . . . . . . . . . 19.2 m-90 -96.53 111.85 23.81 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.202 168.93 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 160' ' ' SER . . . . . . . . . . . . . 32.1 t -90.84 130.45 36.79 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.17 -177.421 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 161' ' ' CYS . . . . . . . . . . . . . 89.3 m -118.8 151.4 38.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.147 -178.664 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -72.75 154.95 91.16 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.249 175.79 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 163' ' ' PRO . . . . . . . . . . . . . 88.1 Cg_endo -76.33 64.64 7.2 Favored 'Trans proline' 0 N--CA 1.458 -0.588 0 C-N-CA 121.717 1.611 . . . . 0.0 111.186 179.296 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 164' ' ' THR . . . . . . . . . . . . . 12.5 t -159.97 -179.81 8.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.231 -179.307 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 165' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -64.98 -49.96 68.21 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.161 -171.928 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 166' ' ' THR . . . . . . . . . . . . . 81.2 p -80.89 -17.14 51.6 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.118 -172.143 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 167' ' ' GLY . . . . . . . . . . . . . . . -64.93 -49.58 62.23 Favored Glycine 0 CA--C 1.523 0.576 0 N-CA-C 111.216 -0.754 . . . . 0.0 111.216 179.512 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 168' ' ' LEU . . . . . . . . . . . . . 31.4 tp -70.33 -34.4 72.63 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.87 0.367 . . . . 0.0 111.2 179.417 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 96.8 mt -61.25 -42.14 92.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.186 177.647 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 170' ' ' ALA . . . . . . . . . . . . . . . -60.79 -38.87 86.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.211 175.836 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 171' ' ' GLY . . . . . . . . . . . . . . . -64.77 -41.38 97.62 Favored Glycine 0 CA--C 1.523 0.57 0 N-CA-C 111.244 -0.742 . . . . 0.0 111.244 177.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 59.1 tp -54.94 -48.97 72.45 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.882 0.372 . . . . 0.0 111.229 177.953 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 173' ' ' ARG . . . . . . . . . . . . . 39.9 ttm180 -65.51 -40.85 93.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.203 176.686 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -65.01 -33.18 75.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.205 -173.643 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 53.2 p -64.96 -21.11 66.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.266 -179.723 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 176' ' ' GLN . . . . . . . . . . . . . 93.7 mm-40 -102.82 -33.45 9.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.206 -177.671 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 177' ' ' THR . . . . . . . . . . . . . 99.0 m -74.56 -43.99 53.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.192 -178.333 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 178' ' ' GLU . . . . . . . . . . . . . 73.4 mm-40 -117.04 175.87 5.39 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.169 -173.289 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 179' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -129.79 166.49 19.8 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.16 177.845 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 180' ' ' LEU . . . . . . . . . . . . . 89.7 mt -90.29 161.57 15.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.213 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 181' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -74.73 156.69 86.48 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.224 179.296 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 182' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -68.49 144.9 62.82 Favored 'Trans proline' 0 N--CA 1.459 -0.55 0 C-N-CA 121.628 1.552 . . . . 0.0 111.213 179.081 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 183' ' ' PHE . . . . . . . . . . . . . 87.7 m-85 -93.56 149.85 37.88 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.23 -174.742 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 184' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_endo -72.45 -14.79 27.95 Favored 'Trans proline' 0 N--CA 1.459 -0.533 0 C-N-CA 121.63 1.553 . . . . 0.0 111.117 177.613 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 185' ' ' VAL . . . . . . . . . . . . . 85.2 t -111.25 126.15 68.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.245 -177.503 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 186' ' ' SER . . . . . . . . . . . . . 88.0 p -92.49 -14.24 28.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.213 -178.046 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 187' ' ' HIS . . . . . . . . . . . . . 99.0 m-70 -75.04 86.6 2.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.237 -179.468 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 188' ' ' ASN . . . . . 0.491 ' HB2' ' HD3' ' A' ' 189' ' ' PRO . 99.1 m-20 -57.04 -47.15 99.57 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.227 -168.232 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 189' ' ' PRO . . . . . 0.491 ' HD3' ' HB2' ' A' ' 188' ' ' ASN . 95.3 Cg_endo -85.78 1.45 8.05 Favored 'Trans proline' 0 N--CA 1.457 -0.629 0 C-N-CA 121.739 1.626 . . . . 0.0 111.213 -170.613 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 190' ' ' SER . . . . . . . . . . . . . 67.3 m -111.2 14.2 21.76 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.204 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 191' ' ' PHE . . . . . . . . . . . . . 14.5 m-30 -61.56 -30.23 70.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.151 178.802 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 192' ' ' GLU . . . . . . . . . . . . . 24.2 pt-20 -70.28 -10.0 57.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.211 -176.02 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 193' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -120.02 -20.53 7.43 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.164 178.769 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 194' ' ' LEU . . . . . . . . . . . . . 95.4 mt -103.63 -56.37 2.22 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.236 -174.879 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 195' ' ' LEU . . . . . . . . . . . . . 30.0 mt -79.93 -20.81 44.79 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.218 -176.565 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 196' ' ' VAL . . . . . . . . . . . . . 6.4 p -59.17 -27.0 35.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.218 170.213 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 197' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -98.02 -40.78 8.28 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.238 177.924 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 198' ' ' THR . . . . . . . . . . . . . 89.0 m -70.49 -44.5 67.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.195 -176.716 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 199' ' ' ILE . . . . . . . . . . . . . 97.7 mt -105.05 -59.41 3.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.193 -173.0 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 200' ' ' TYR . . . . . . . . . . . . . 72.6 t80 -63.88 -62.01 1.92 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.219 -168.559 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 201' ' ' SER . . . . . . . . . . . . . 42.8 t . . . . . 0 C--O 1.2 -1.535 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.139 177.614 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.56 0 N-CA-C 111.226 -0.749 . . . . 0.0 111.226 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 46.7 pt -127.52 -6.96 4.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.79 0.329 . . . . 0.0 111.217 174.38 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 49.1 pt -110.2 -8.63 11.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.223 171.047 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -122.13 26.03 8.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.171 173.269 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 7.4 tp10 -166.34 153.97 9.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.206 -176.917 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 46.4 mtmt -56.31 112.04 1.13 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.179 -179.751 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -138.4 149.44 45.53 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.227 179.121 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.401 HD21 HD23 ' A' ' 112' ' ' LEU . 30.9 mt -90.65 141.15 29.08 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.195 177.108 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 75.6 m-85 -129.98 118.02 20.96 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.175 167.124 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.422 HG22 ' HB ' ' A' ' 114' ' ' ILE . 89.7 t -103.11 134.19 44.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.216 -176.88 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 92.7 m -116.58 114.47 24.16 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.207 173.604 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 52.7 t -93.18 124.71 37.35 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.26 172.21 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -75.63 171.61 54.22 Favored Glycine 0 CA--C 1.522 0.525 0 N-CA-C 111.23 -0.748 . . . . 0.0 111.23 177.536 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -68.95 -34.92 76.14 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.784 0.326 . . . . 0.0 111.194 -177.052 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 76.2 p -94.82 -9.32 34.78 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.155 -179.102 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 96.2 t -72.54 128.78 88.05 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.247 -179.587 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 48.1 Cg_endo -66.57 106.36 1.06 Allowed 'Trans proline' 0 N--CA 1.457 -0.661 0 C-N-CA 121.692 1.595 . . . . 0.0 111.218 178.537 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' PHE . . . . . 0.561 ' N ' ' CD ' ' A' ' 19' ' ' PRO . 80.3 t80 -72.01 -41.62 8.98 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.225 -179.436 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.561 ' CD ' ' N ' ' A' ' 18' ' ' PHE . 80.8 Cg_exo -54.08 -31.76 66.21 Favored 'Trans proline' 0 N--CA 1.458 -0.586 0 C-N-CA 121.69 1.594 . . . . 0.0 111.21 -178.802 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 96.7 mttt -88.77 -37.96 15.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.135 177.317 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 68.9 tp -64.07 -58.37 6.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.233 -176.423 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 9.9 p -62.65 -26.07 39.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.154 -173.57 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 58.6 m -64.76 -50.0 68.54 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.199 175.933 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 97.0 m -64.97 -37.0 86.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.237 177.659 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 56.6 t -64.18 -39.17 84.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.204 179.209 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 82.7 mt -107.33 31.84 5.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.219 -177.577 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 55.7 m -70.58 148.87 47.68 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.242 173.309 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 90.4 m-20 -65.27 -48.36 73.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.203 -176.173 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -68.51 -34.98 76.84 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.177 179.684 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 79.3 t80 -58.26 -52.96 63.39 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.224 175.451 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 85.0 m -70.1 -28.0 65.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.234 -176.733 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 65.8 tt0 -60.95 -60.05 4.41 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.186 178.478 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -67.5 -33.24 74.68 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.182 177.793 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.427 ' HG ' ' HB2' ' A' ' 39' ' ' PHE . 45.0 tp -54.98 -49.92 70.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.155 178.615 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 87.0 mt -61.31 -37.62 78.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.135 178.433 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 88.8 mt-30 -67.47 -20.88 65.53 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.268 -0.423 . . . . 0.0 111.2 177.331 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 22.4 m-30 -88.78 -4.56 58.47 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.162 179.216 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 98.9 10.9 48.17 Favored Glycine 0 CA--C 1.523 0.59 0 N-CA-C 111.153 -0.779 . . . . 0.0 111.153 174.6 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.427 ' HB2' ' HG ' ' A' ' 34' ' ' LEU . 75.8 m-85 -104.09 105.59 15.81 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.768 0.318 . . . . 0.0 111.183 177.653 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 34.3 m -119.5 -0.91 8.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.211 -177.692 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 70.9 mtt85 -125.33 139.97 53.22 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.162 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 23.6 tp -143.82 135.91 26.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.163 -176.103 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.502 HG12 ' HB ' ' A' ' 94' ' ' ILE . 46.4 mt -122.07 129.39 75.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.197 166.857 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 81.0 mt -109.4 122.44 64.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.164 -177.253 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 61.3 tt0 -92.45 119.95 32.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.275 178.664 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 48.3 p90 -149.98 164.96 34.11 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.154 -175.005 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -94.96 -166.72 35.88 Favored Glycine 0 CA--C 1.524 0.622 0 N-CA-C 111.216 -0.754 . . . . 0.0 111.216 -175.028 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -76.61 -38.34 54.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.763 0.316 . . . . 0.0 111.217 -177.348 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 99.3 m-20 -74.2 -36.67 64.0 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.167 176.894 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 15.9 m-30 -85.71 60.32 6.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.177 -178.384 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 88.4 p -134.89 -7.54 2.39 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.218 -177.152 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 69.9 m -65.46 -58.95 4.58 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.196 -176.515 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 66.9 mm-40 -75.45 -16.66 60.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.216 -176.234 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 70.4 t80 -55.88 -52.39 64.24 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.183 179.195 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 56.7 mt-10 -87.01 -23.22 25.08 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.245 -175.907 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 62.5 m170 -60.2 -43.71 95.7 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.232 179.701 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 94.2 mt -65.49 -29.65 70.33 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.23 -178.882 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 75.3 t -73.25 -37.67 52.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.209 177.563 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 88.2 mt-30 -66.16 -31.5 72.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.109 176.882 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -64.23 -31.64 72.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.213 176.832 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 74.5 mmt-85 -96.66 -17.13 20.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.188 -175.902 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 87.21 33.89 11.35 Favored Glycine 0 CA--C 1.523 0.587 0 N-CA-C 111.23 -0.748 . . . . 0.0 111.23 176.554 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -75.87 175.77 51.73 Favored Glycine 0 CA--C 1.523 0.565 0 N-CA-C 111.267 -0.733 . . . . 0.0 111.267 177.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' GLN . . . . . 0.479 ' HG3' ' HG3' ' A' ' 66' ' ' GLU . 62.4 tp60 -130.1 113.78 14.94 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.873 0.368 . . . . 0.0 111.114 -176.906 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 53.0 ttp180 -61.05 113.15 2.39 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.115 172.196 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.479 ' HG3' ' HG3' ' A' ' 64' ' ' GLN . 93.8 mt-10 -127.43 118.68 24.53 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.218 176.554 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 39.6 t -73.01 131.12 41.74 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.154 175.363 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 89.8 mm-40 -129.64 137.86 50.89 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.228 -174.78 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 96.9 mttt -95.15 75.52 3.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.174 173.594 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 87.6 mt -87.64 135.91 33.53 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.198 -169.677 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 71.1 Cg_endo -72.42 142.07 36.27 Favored 'Trans proline' 0 N--CA 1.458 -0.58 0 C-N-CA 121.69 1.593 . . . . 0.0 111.23 177.536 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 96.6 mt -82.33 -45.4 19.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.199 177.373 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 99.8 m-20 -63.8 -36.59 84.41 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.157 -175.061 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 99.5 mm-40 -88.48 -66.57 0.9 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.217 -178.249 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 63.0 t80 -77.25 -54.69 6.18 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.21 -174.609 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 123.7 17.61 3.12 Favored Glycine 0 CA--C 1.524 0.627 0 N-CA-C 111.205 -0.758 . . . . 0.0 111.205 176.343 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 77' ' ' CYS . . . . . 0.484 ' HA ' ' SD ' ' A' ' 102' ' ' MET . 42.0 t -136.79 152.14 49.96 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.789 0.328 . . . . 0.0 111.228 -178.328 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -74.0 174.67 48.88 Favored Glycine 0 CA--C 1.523 0.571 0 N-CA-C 111.236 -0.745 . . . . 0.0 111.236 -176.006 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 57.6 p-10 -94.44 15.91 16.57 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.78 0.324 . . . . 0.0 111.17 -173.619 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 40.1 p -113.56 38.33 2.95 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.225 174.472 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -85.85 137.96 32.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.237 -169.261 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 84.2 mtt85 -109.99 99.66 8.73 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.192 169.239 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 62.7 tt0 -85.43 135.21 33.96 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.257 -175.118 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 84.8 m-85 -124.19 145.42 49.34 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.177 178.166 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 88.8 t -102.83 111.72 33.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.249 -171.737 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 93.9 mt -123.8 161.89 24.33 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.149 177.407 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 92.1 mmm 59.93 30.51 20.02 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.235 178.217 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 96.4 m-20 65.09 34.33 8.81 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.215 178.562 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 95.02 -2.92 66.54 Favored Glycine 0 CA--C 1.523 0.589 0 N-CA-C 111.209 -0.756 . . . . 0.0 111.209 175.424 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -82.5 -20.26 37.12 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.726 0.298 . . . . 0.0 111.219 -178.646 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 61.1 tp -120.4 123.54 43.31 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.208 176.083 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -110.38 105.65 14.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.16 -178.405 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 74.0 t -108.41 126.29 65.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.194 -174.73 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 94' ' ' ILE . . . . . 0.502 ' HB ' HG12 ' A' ' 43' ' ' ILE . 98.7 mt -113.48 131.98 63.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.222 178.686 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -76.21 127.31 8.73 Favored Glycine 0 CA--C 1.523 0.565 0 N-CA-C 111.22 -0.752 . . . . 0.0 111.22 175.18 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 54.5 t80 -64.74 120.78 13.09 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.861 0.362 . . . . 0.0 111.227 -178.732 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 36.7 t0 -145.06 43.58 1.33 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.242 171.043 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 43.3 m-85 -120.01 -179.89 4.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.213 -164.132 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 65.1 p -94.61 -170.05 2.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.146 -177.401 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 16.6 m -62.45 -22.18 66.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.251 -179.439 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -56.88 -32.03 65.44 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.25 177.906 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 102' ' ' MET . . . . . 0.484 ' SD ' ' HA ' ' A' ' 77' ' ' CYS . 92.5 mmm -88.99 -27.13 21.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.138 177.013 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 92.3 mt-30 -63.59 -33.35 75.41 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.165 176.31 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 41.1 t -65.87 -43.06 89.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.229 170.256 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 105' ' ' ILE . . . . . 0.457 HD12 ' SD ' ' A' ' 102' ' ' MET . 64.0 mt -65.26 -35.95 76.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.169 -177.926 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 71.6 mt -55.44 -31.69 28.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.213 178.389 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 80.0 mtm180 -109.86 -33.07 6.84 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.137 -170.361 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 67.3 m-20 -102.19 -50.55 3.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.17 -169.635 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 109' ' ' TYR . . . . . 0.401 ' HB2' HG23 ' A' ' 105' ' ' ILE . 93.2 m-85 -95.49 -5.14 43.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.13 -172.674 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 87.5 p -66.05 164.84 14.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.258 170.614 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 34.3 t70 -107.74 -38.55 5.83 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.181 172.713 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 112' ' ' LEU . . . . . 0.401 HD23 HD21 ' A' ' 8' ' ' LEU . 60.5 tp -138.01 116.01 11.64 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.241 179.878 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 85.2 t -94.2 136.63 25.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.227 -176.645 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 114' ' ' ILE . . . . . 0.422 ' HB ' HG22 ' A' ' 10' ' ' VAL . 90.0 mt -123.19 131.56 73.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.194 176.396 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 22.7 t -162.55 162.44 27.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.198 176.013 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 116' ' ' HIS . . . . . 0.434 ' HA ' ' HB3' ' A' ' 135' ' ' CYS . 63.1 t-80 -85.61 146.03 27.06 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.217 176.318 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 117' ' ' ALA . . . . . 0.443 ' HA ' HD13 ' A' ' 122' ' ' ILE . . . -54.29 132.86 44.56 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.193 177.087 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 107.18 15.27 16.44 Favored Glycine 0 CA--C 1.523 0.591 0 N-CA-C 111.198 -0.761 . . . . 0.0 111.198 172.483 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 48.2 p -106.59 172.55 6.75 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.757 0.313 . . . . 0.0 111.217 174.738 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -85.7 -30.81 22.96 Favored Glycine 0 CA--C 1.523 0.575 0 N-CA-C 111.251 -0.74 . . . . 0.0 111.251 174.096 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 42.7 t -64.74 -38.97 92.81 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.803 0.335 . . . . 0.0 111.14 178.65 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 122' ' ' ILE . . . . . 0.493 HG13 HD11 ' A' ' 132' ' ' LEU . 13.7 tt -69.78 -19.98 23.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.205 -178.805 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 90.7 mt -93.0 -24.75 18.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.161 -179.782 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 87.2 m-20 -64.38 -37.83 88.88 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.151 175.926 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 74.6 m -62.3 -32.59 73.35 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.27 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 81.2 mt -64.3 -49.77 70.49 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.218 178.521 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 46.1 ptt85 -75.1 -20.0 59.67 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.196 -176.554 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 95.9 mt -93.61 -9.31 38.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.199 179.199 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 91.9 m-20 63.46 38.47 9.89 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.253 -179.48 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 12.9 mmmm -101.01 140.78 21.58 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.215 -179.373 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 71.3 Cg_exo -49.83 131.41 29.37 Favored 'Trans proline' 0 N--CA 1.459 -0.535 0 C-N-CA 121.67 1.58 . . . . 0.0 111.157 176.459 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 132' ' ' LEU . . . . . 0.493 HD11 HG13 ' A' ' 122' ' ' ILE . 58.8 tp -140.33 126.99 20.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.188 -168.02 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 89.6 mt -99.29 116.82 43.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.19 167.682 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 93.6 t -92.17 99.05 9.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.245 -177.615 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 135' ' ' CYS . . . . . 0.434 ' HB3' ' HA ' ' A' ' 116' ' ' HIS . 51.8 t -77.92 138.2 38.75 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.198 -178.514 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 33.3 m -124.23 154.98 31.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.193 178.692 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 46.4 p30 -83.77 -174.86 5.53 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.26 178.595 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 72.7 m-20 -86.75 -9.97 54.68 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.21 -172.19 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 78.9 p -81.89 -10.29 59.34 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.212 -177.016 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 57.4 tp -72.25 128.78 36.71 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.151 179.477 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 141' ' ' MET . . . . . . . . . . . . . 57.7 ttm -65.21 140.05 58.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.213 173.936 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 99.7 m-20 -59.23 -40.53 86.17 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.234 179.724 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 99.3 m-20 -64.96 -37.73 88.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.235 178.056 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 144' ' ' HIS . . . . . . . . . . . . . 65.1 m170 -69.94 -32.87 71.35 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.193 177.696 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 145' ' ' GLN . . . . . 0.421 ' HG3' ' HD3' ' A' ' 163' ' ' PRO . 19.0 tm0? -64.43 -38.55 91.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.197 176.268 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 146' ' ' GLN . . . . . . . . . . . . . 73.4 tp60 -65.01 -43.44 92.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.247 175.927 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 147' ' ' GLN . . . . . . . . . . . . . 87.9 mt-30 -63.14 -34.97 78.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.23 178.467 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 148' ' ' ILE . . . . . . . . . . . . . 89.6 mt -64.86 -46.33 92.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.271 172.924 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -67.76 -25.07 65.44 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.184 179.305 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 94.4 m-20 -70.49 -14.98 62.75 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.151 179.467 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 151' ' ' LYS . . . . . . . . . . . . . 75.4 mmtt -102.82 -34.03 9.14 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.167 176.07 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 152' ' ' PHE . . . . . . . . . . . . . 16.0 m-30 -74.49 -28.18 60.89 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.141 179.694 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 153' ' ' VAL . . . . . . . . . . . . . 9.9 p -58.45 -24.74 25.85 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.189 178.209 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -81.29 -27.82 34.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.182 178.048 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 155' ' ' LEU . . . . . . . . . . . . . 96.3 mt -68.7 -38.99 80.69 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.144 -176.45 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . 95.03 -45.26 2.11 Favored Glycine 0 CA--C 1.524 0.611 0 N-CA-C 111.147 -0.781 . . . . 0.0 111.147 171.165 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 157' ' ' TYR . . . . . . . . . . . . . 51.8 p90 -108.61 -3.87 17.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.816 0.341 . . . . 0.0 111.178 -177.448 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 158' ' ' VAL . . . . . . . . . . . . . 60.5 t -108.77 125.46 65.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.183 173.771 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 159' ' ' TRP . . . . . . . . . . . . . 89.7 m95 -137.79 142.42 40.86 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.246 -178.867 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 160' ' ' SER . . . . . . . . . . . . . 13.3 t -97.7 149.64 22.06 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.152 -171.495 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 161' ' ' CYS . . . . . 0.494 ' SG ' ' HA ' ' A' ' 168' ' ' LEU . 71.6 m -87.75 162.82 16.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.175 172.149 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -91.49 154.8 44.36 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.187 173.026 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 163' ' ' PRO . . . . . 0.421 ' HD3' ' HG3' ' A' ' 145' ' ' GLN . 97.2 Cg_endo -74.98 67.31 5.94 Favored 'Trans proline' 0 N--CA 1.459 -0.551 0 C-N-CA 121.716 1.611 . . . . 0.0 111.214 178.701 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 164' ' ' THR . . . . . . . . . . . . . 14.1 t -157.95 -178.19 7.12 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.183 -177.309 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 165' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -70.12 -33.48 71.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.222 -173.085 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 166' ' ' THR . . . . . . . . . . . . . 70.3 p -101.84 21.15 15.06 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.214 -179.73 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 167' ' ' GLY . . . . . . . . . . . . . . . -62.6 -48.39 81.99 Favored Glycine 0 CA--C 1.524 0.61 0 N-CA-C 111.208 -0.757 . . . . 0.0 111.208 -178.142 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 168' ' ' LEU . . . . . 0.494 ' HA ' ' SG ' ' A' ' 161' ' ' CYS . 23.2 tp -65.03 -32.94 74.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.84 0.352 . . . . 0.0 111.226 179.815 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 97.3 mt -64.02 -41.4 92.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.265 175.578 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 170' ' ' ALA . . . . . . . . . . . . . . . -65.01 -39.43 93.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.197 176.712 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 171' ' ' GLY . . . . . . . . . . . . . . . -62.86 -45.68 95.19 Favored Glycine 0 CA--C 1.523 0.557 0 N-CA-C 111.167 -0.773 . . . . 0.0 111.167 177.856 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 57.7 tp -59.12 -56.56 20.61 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.81 0.338 . . . . 0.0 111.172 176.212 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 173' ' ' ARG . . . . . . . . . . . . . 38.1 ttm180 -53.88 -45.02 70.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.234 -179.331 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -59.3 -45.45 91.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.231 -177.307 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 68.9 p -73.26 -25.31 60.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.207 -176.145 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 176' ' ' GLN . . . . . . . . . . . . . 89.5 mm-40 -102.68 -6.26 22.89 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.181 -175.062 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 177' ' ' THR . . . . . . . . . . . . . 63.8 m -97.87 -48.76 5.06 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.173 174.577 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 178' ' ' GLU . . . . . . . . . . . . . 73.6 mm-40 -79.97 145.39 32.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.169 -179.561 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 179' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -64.89 129.95 41.64 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.262 -178.363 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 180' ' ' LEU . . . . . . . . . . . . . 85.7 mt -75.29 132.6 41.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.156 176.582 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 181' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -135.32 140.67 35.12 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.2 -178.071 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 182' ' ' PRO . . . . . . . . . . . . . 57.1 Cg_endo -70.38 127.64 14.37 Favored 'Trans proline' 0 N--CA 1.458 -0.576 0 C-N-CA 121.724 1.616 . . . . 0.0 111.203 179.627 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 183' ' ' PHE . . . . . . . . . . . . . 29.5 t80 -87.33 134.65 35.88 Favored Pre-proline 0 C--N 1.327 -0.371 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.217 177.384 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 184' ' ' PRO . . . . . . . . . . . . . 92.3 Cg_exo -52.2 -42.21 61.06 Favored 'Trans proline' 0 C--N 1.328 -0.545 0 C-N-CA 121.711 1.608 . . . . 0.0 111.095 -174.105 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 185' ' ' VAL . . . . . . . . . . . . . 84.6 t -76.76 118.58 23.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.165 -177.499 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 186' ' ' SER . . . . . . . . . . . . . 50.0 m -122.18 24.12 9.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.159 178.658 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 187' ' ' HIS . . . . . . . . . . . . . 92.5 m-70 -120.37 125.13 47.23 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.186 -171.551 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 188' ' ' ASN . . . . . 0.555 ' N ' ' CD ' ' A' ' 189' ' ' PRO . 39.2 t30 -62.05 -41.52 76.36 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.181 178.502 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 189' ' ' PRO . . . . . 0.555 ' CD ' ' N ' ' A' ' 188' ' ' ASN . 61.4 Cg_exo -55.0 -34.18 85.97 Favored 'Trans proline' 0 N--CA 1.458 -0.601 0 C-N-CA 121.685 1.59 . . . . 0.0 111.219 176.302 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 190' ' ' SER . . . . . . . . . . . . . 73.7 m -78.44 -32.07 48.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.18 179.222 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 191' ' ' PHE . . . . . 0.413 ' HA ' ' HB3' ' A' ' 194' ' ' LEU . 41.3 m-85 -74.08 -22.56 59.46 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.256 175.011 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 192' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -52.13 -39.88 60.54 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.199 -176.053 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 193' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -104.37 -22.16 13.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.214 -177.958 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 194' ' ' LEU . . . . . 0.413 ' HB3' ' HA ' ' A' ' 191' ' ' PHE . 59.2 tp -72.31 -60.04 2.43 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.255 -178.002 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 195' ' ' LEU . . . . . . . . . . . . . 85.5 mt -112.83 -35.31 5.5 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.213 -171.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 196' ' ' VAL . . . . . . . . . . . . . 66.0 t -68.25 -40.69 83.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.216 -170.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 197' ' ' GLU . . . . . . . . . . . . . 94.9 mt-10 -99.45 9.43 43.29 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.117 -178.49 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 198' ' ' THR . . . . . . . . . . . . . 91.2 m -115.16 -47.59 2.85 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.194 178.821 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 199' ' ' ILE . . . . . . . . . . . . . 96.7 mt -114.51 -37.6 2.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.263 -172.755 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 200' ' ' TYR . . . . . . . . . . . . . 80.9 m-85 -96.93 19.04 13.36 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.155 -178.6 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 201' ' ' SER . . . . . . . . . . . . . 40.5 t . . . . . 0 C--O 1.201 -1.471 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.191 179.576 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.534 0 N-CA-C 111.182 -0.767 . . . . 0.0 111.182 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 98.0 mt -103.89 -53.39 7.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.852 0.358 . . . . 0.0 111.199 179.656 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 90.9 mt -77.93 108.61 11.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.209 174.818 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 94.9 mt-10 -110.0 -0.07 18.28 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.158 -172.749 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -119.56 150.64 39.94 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.224 -176.857 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 85.5 mttt -74.24 157.25 36.2 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.214 175.57 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -164.82 173.8 11.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.193 -171.613 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.457 HD13 ' C ' ' A' ' 8' ' ' LEU . 3.1 tm? -95.89 121.05 37.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.23 172.707 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 85.1 t80 -84.47 125.34 32.29 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.223 -177.469 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.411 ' HB ' HG12 ' A' ' 44' ' ' ILE . 91.5 t -117.85 135.75 57.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.205 174.77 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 93.5 m -95.02 118.36 31.71 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.19 176.574 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 71.7 m -131.81 59.86 1.69 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.211 165.565 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -74.35 170.16 53.67 Favored Glycine 0 CA--C 1.522 0.512 0 N-CA-C 111.205 -0.758 . . . . 0.0 111.205 -175.693 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -73.68 -33.98 64.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.819 0.343 . . . . 0.0 111.24 -172.304 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 99.0 m -73.41 -50.09 23.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.181 -171.206 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 95.5 t -78.82 130.45 70.37 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.211 -173.847 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_exo -57.31 130.89 41.65 Favored 'Trans proline' 0 N--CA 1.457 -0.635 0 C-N-CA 121.68 1.587 . . . . 0.0 111.2 176.468 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 88.8 m-85 -133.98 69.85 74.74 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.226 168.959 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 36.2 Cg_endo -67.25 -61.5 0.08 OUTLIER 'Trans proline' 0 N--CA 1.458 -0.592 0 C-N-CA 121.736 1.624 . . . . 0.0 111.219 -177.358 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -117.67 4.64 12.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.202 178.878 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 95.9 mt -71.69 -23.8 61.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.21 -175.939 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 71.5 t -74.41 -40.33 49.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.22 175.948 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 85.0 p -68.38 -25.14 64.92 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.173 -179.332 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 98.7 m -71.83 -40.1 69.32 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.222 173.503 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 55.5 t -64.46 -37.38 79.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.235 174.495 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 97.4 mt -104.86 34.85 2.99 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.2 -176.651 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 55.4 p -75.88 159.47 30.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.208 173.398 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 97.9 m-20 -63.1 -40.03 96.43 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.172 178.765 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -73.39 -40.28 64.45 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.172 -176.071 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 59.8 t80 -61.85 -52.84 62.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.218 179.39 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 98.8 m -66.16 -36.28 82.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.202 -178.439 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 66.2 tt0 -56.22 -46.02 79.67 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.219 179.69 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 91.0 mt-10 -88.94 -22.38 23.11 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.181 -177.373 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 47.2 tp -53.78 -44.81 70.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.255 179.621 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 45.0 pt -74.21 -13.28 15.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.192 -179.776 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 67.6 mt-30 -94.93 -5.27 45.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.225 179.438 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 40.8 m-85 -105.06 10.83 33.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.217 172.935 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 86.86 27.23 29.56 Favored Glycine 0 CA--C 1.524 0.64 0 N-CA-C 111.114 -0.794 . . . . 0.0 111.114 174.68 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 81.8 m-85 -122.38 74.79 1.2 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.893 0.377 . . . . 0.0 111.206 176.167 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 33.1 m -83.48 -10.09 11.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.152 177.474 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 61.4 ttm-85 -112.19 120.74 42.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.168 172.481 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 63.4 tp -113.2 119.88 39.3 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.133 179.473 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.49 HG23 ' CD1' ' A' ' 96' ' ' PHE . 69.8 mt -114.32 114.88 47.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.228 -175.758 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.411 HG12 ' HB ' ' A' ' 10' ' ' VAL . 62.2 mt -114.64 113.51 43.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.24 -175.42 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 20.0 tm0? -81.62 117.46 22.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.217 178.311 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 70.1 m-85 -104.36 137.76 41.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.247 -178.629 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -83.43 -168.79 43.96 Favored Glycine 0 CA--C 1.523 0.586 0 N-CA-C 111.195 -0.762 . . . . 0.0 111.195 173.833 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 84.2 mtp180 -80.36 -19.83 45.52 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.776 0.322 . . . . 0.0 111.154 -177.605 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 92.8 m-20 -85.27 -13.93 48.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.206 -178.315 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 77.7 m-85 -124.39 104.06 8.55 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.198 -174.551 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 91.5 p -78.74 159.72 27.79 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.223 177.51 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 46.6 t -101.34 90.95 4.28 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.158 178.674 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 61.2 mm-40 -123.65 71.04 1.07 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.204 -177.444 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 82.3 m-85 -118.77 26.4 9.58 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.187 -174.319 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 25.1 pt-20 -73.76 -13.07 60.89 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.141 176.088 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 99.0 m-70 -89.53 -25.3 21.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.174 173.056 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 64.2 tp -60.83 -47.3 86.98 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.246 171.948 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 19.2 m -75.16 -25.0 17.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.143 179.354 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 66.0 tt0 -63.07 -40.07 96.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.301 178.435 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -73.08 -27.07 61.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.161 179.014 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 80.4 mmt-85 -95.58 -13.81 24.09 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.137 -171.78 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 89.03 22.22 39.32 Favored Glycine 0 CA--C 1.523 0.584 0 N-CA-C 111.166 -0.773 . . . . 0.0 111.166 177.836 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -95.76 -162.9 33.78 Favored Glycine 0 CA--C 1.523 0.589 0 N-CA-C 111.202 -0.759 . . . . 0.0 111.202 -179.569 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' GLN . . . . . 0.473 ' H ' ' HB ' ' A' ' 85' ' ' VAL . 10.3 mm-40 -129.97 159.95 35.12 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.772 0.32 . . . . 0.0 111.276 -177.119 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 7.0 tmm_? -119.38 120.66 37.53 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.251 175.697 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 -126.24 155.74 41.39 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.26 -177.653 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 88.6 p -87.88 159.39 18.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.193 -179.66 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 65.5 mm-40 -140.03 90.01 2.35 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.195 174.185 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -77.24 80.63 3.75 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.182 -178.618 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 50.0 mm -65.68 123.34 84.42 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.223 -176.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 80.0 Cg_exo -48.8 120.87 5.8 Favored 'Trans proline' 0 N--CA 1.458 -0.612 0 C-N-CA 121.77 1.647 . . . . 0.0 111.188 178.936 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 96.6 mt -76.8 -37.08 27.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.24 -176.169 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 99.7 m-20 -66.25 -23.0 66.34 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.175 -173.314 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 99.7 mm-40 -82.27 -50.17 9.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.204 -173.451 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 7.9 m-30 -99.98 -40.02 7.86 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.199 -177.494 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 101.52 -0.13 53.18 Favored Glycine 0 CA--C 1.523 0.558 0 N-CA-C 111.154 -0.778 . . . . 0.0 111.154 -174.235 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 29.0 p -88.26 -179.55 6.16 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.736 0.303 . . . . 0.0 111.212 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -80.15 163.41 47.09 Favored Glycine 0 CA--C 1.525 0.66 0 N-CA-C 111.182 -0.767 . . . . 0.0 111.182 -177.707 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 51.2 p-10 -108.49 30.34 6.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.853 0.358 . . . . 0.0 111.236 179.062 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 60.1 p -103.46 19.3 19.99 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.23 -173.801 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -65.35 145.83 55.68 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.194 -179.044 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -132.38 119.76 21.12 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.184 -172.081 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 62.2 tt0 -87.88 137.95 31.88 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.125 -177.653 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 84.8 m-85 -128.89 118.83 23.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.252 178.319 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.473 ' HB ' ' H ' ' A' ' 64' ' ' GLN . 84.7 t -88.44 117.7 32.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.205 -177.943 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 96.4 mt -124.88 168.67 12.94 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.286 179.095 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 82.1 mmm 61.42 30.45 18.93 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.125 175.377 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 96.3 m-20 64.95 33.25 10.0 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.228 176.862 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 97.7 -3.98 61.26 Favored Glycine 0 CA--C 1.523 0.539 0 N-CA-C 111.269 -0.732 . . . . 0.0 111.269 175.339 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -79.99 -23.92 41.23 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.811 0.338 . . . . 0.0 111.203 -178.404 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 60.0 tp -121.52 126.67 49.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.202 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -109.67 102.43 11.25 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.222 175.829 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 59.9 t -101.3 108.65 23.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.162 -178.477 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 73.8 mt -115.33 123.77 71.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.169 -178.174 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -86.9 132.13 10.98 Favored Glycine 0 CA--C 1.523 0.564 0 N-CA-C 111.202 -0.759 . . . . 0.0 111.202 171.108 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 96' ' ' PHE . . . . . 0.49 ' CD1' HG23 ' A' ' 43' ' ' ILE . 59.9 m-85 -114.6 151.66 33.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.79 0.329 . . . . 0.0 111.228 -174.175 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 53.1 t0 -102.04 69.72 1.18 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.178 -179.605 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 88.1 m-85 -103.66 157.45 17.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.201 172.597 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 52.4 p -78.53 178.3 7.88 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.194 172.001 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 74.3 p -74.55 -10.1 59.22 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.154 178.205 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -105.49 -7.01 18.94 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.181 179.745 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 66.6 mtt -103.11 6.55 38.59 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.167 -179.473 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 95.4 mt-30 -60.12 -32.95 71.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.18 178.003 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 73.3 m -57.79 -32.96 68.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.256 -178.169 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 94.1 mt -54.42 -52.87 35.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.249 178.445 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 96.9 mt -67.66 -43.9 86.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.206 179.771 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 88.4 mtm-85 -57.66 -37.16 72.91 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.11 -173.963 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 95.1 m-20 -62.12 -27.49 68.97 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.159 -178.889 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 109' ' ' TYR . . . . . . . . . . . . . 56.1 m-85 -95.28 -26.93 15.73 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.229 -178.146 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 65.3 p -67.88 162.54 23.94 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.256 -178.726 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 18.6 t70 -111.79 -9.94 14.06 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.232 178.892 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 63.0 tp -153.35 140.04 18.93 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.216 -179.79 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 91.4 t -112.33 121.65 65.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.224 -177.06 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 114' ' ' ILE . . . . . 0.403 HD12 HD11 ' A' ' 8' ' ' LEU . 62.1 mt -120.19 111.19 31.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.16 171.45 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 70.6 m -123.33 166.91 14.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.201 178.087 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 89.5 m-70 -110.49 84.58 1.95 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.127 178.571 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . 55.34 53.4 9.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.272 -173.456 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -83.84 -176.97 51.45 Favored Glycine 0 CA--C 1.523 0.541 0 N-CA-C 111.218 -0.753 . . . . 0.0 111.218 -179.763 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 38.4 p -125.05 -69.93 0.77 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.817 0.341 . . . . 0.0 111.139 -179.058 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -62.63 -30.69 77.48 Favored Glycine 0 CA--C 1.524 0.644 0 N-CA-C 111.185 -0.766 . . . . 0.0 111.185 -177.008 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 86.6 p -68.25 -25.86 65.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.857 0.36 . . . . 0.0 111.191 -179.068 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 122' ' ' ILE . . . . . 0.419 HG12 HD21 ' A' ' 132' ' ' LEU . 96.7 mt -62.06 -45.53 98.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.17 174.23 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 59.8 tp -66.06 -49.09 68.84 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.21 -177.484 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 72.5 m-20 -65.85 -35.87 81.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.272 -172.114 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 21.7 t -64.02 -51.98 61.64 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.167 178.132 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 93.9 mt -65.95 -26.89 67.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.179 173.899 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 127' ' ' ARG . . . . . 0.586 ' HA ' ' HB3' ' A' ' 188' ' ' ASN . 69.1 ttp85 -69.07 -39.81 78.86 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.234 177.144 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 128' ' ' LEU . . . . . 0.414 ' O ' ' HB2' ' A' ' 129' ' ' ASN . 92.1 mt -87.75 -1.96 58.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.203 -176.474 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 129' ' ' ASN . . . . . 0.414 ' HB2' ' O ' ' A' ' 128' ' ' LEU . 89.9 m-20 67.16 35.05 4.68 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.235 -178.217 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 74.6 mmtt -114.73 148.69 40.94 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.221 179.482 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 57.5 Cg_exo -55.04 135.2 67.72 Favored 'Trans proline' 0 N--CA 1.456 -0.688 0 C-N-CA 121.703 1.602 . . . . 0.0 111.204 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 132' ' ' LEU . . . . . 0.419 HD21 HG12 ' A' ' 122' ' ' ILE . 61.1 tp -108.08 119.65 40.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.173 178.371 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 133' ' ' ILE . . . . . 0.401 ' HB ' HG12 ' A' ' 114' ' ' ILE . 87.5 mt -105.53 122.22 58.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.218 174.541 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 97.6 t -123.19 122.67 65.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.219 -178.642 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 135' ' ' CYS . . . . . . . . . . . . . 46.7 t -99.46 126.78 45.45 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.179 176.606 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 89.0 t -69.31 110.05 2.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.19 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 44.2 p30 -87.37 -172.39 3.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.201 -177.848 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 99.1 m-20 -85.86 -7.74 58.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.233 -172.601 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 74.1 p -84.55 -14.18 49.66 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.211 -175.917 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 95.3 mt -88.51 149.98 23.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.201 176.037 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 141' ' ' MET . . . . . . . . . . . . . 98.8 mtp -83.71 169.72 14.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.162 175.2 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -60.54 -38.55 84.85 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.188 175.968 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 99.3 m-20 -67.4 -35.97 80.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.223 176.488 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 144' ' ' HIS . . . . . . . . . . . . . 56.6 m170 -63.27 -46.72 85.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.162 175.78 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 145' ' ' GLN . . . . . . . . . . . . . 64.6 tt0 -56.63 -48.3 77.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.218 177.966 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 146' ' ' GLN . . . . . . . . . . . . . 73.6 tp60 -61.06 -51.61 68.44 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.179 -176.781 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 147' ' ' GLN . . . . . . . . . . . . . 90.2 mt-30 -68.97 -45.48 70.54 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.236 -175.174 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 148' ' ' ILE . . . . . . . . . . . . . 78.9 mt -65.09 -43.32 95.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.139 -177.143 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -65.08 -42.03 94.47 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.159 179.531 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 92.6 m-20 -65.04 -32.21 73.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.19 179.754 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 151' ' ' LYS . . . . . 0.402 ' HD3' ' HA ' ' A' ' 151' ' ' LYS . 67.5 mmtt -79.2 -31.09 43.68 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.219 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 152' ' ' PHE . . . . . . . . . . . . . 15.3 m-30 -61.43 -40.49 94.63 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.159 170.565 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 153' ' ' VAL . . . . . . . . . . . . . 67.6 t -68.4 -45.01 83.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.248 176.26 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 88.1 tt0 -58.47 -42.62 87.87 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.206 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 155' ' ' LEU . . . . . . . . . . . . . 50.6 tp -70.75 -53.41 15.64 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.219 178.95 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . 90.03 6.92 68.72 Favored Glycine 0 CA--C 1.524 0.604 0 N-CA-C 111.18 -0.768 . . . . 0.0 111.18 172.539 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 157' ' ' TYR . . . . . . . . . . . . . 92.9 m-85 -113.84 0.75 14.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.801 0.334 . . . . 0.0 111.194 178.094 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 158' ' ' VAL . . . . . . . . . . . . . 40.7 t -129.61 134.32 63.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.218 -178.464 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 159' ' ' TRP . . . . . . . . . . . . . 85.8 m95 -98.59 140.42 32.84 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.236 -178.164 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 160' ' ' SER . . . . . . . . . . . . . 42.6 t -105.89 115.92 31.06 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.193 179.581 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 161' ' ' CYS . . . . . . . . . . . . . 74.8 m -114.76 152.72 31.6 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.207 -178.132 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -83.93 156.28 64.16 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.23 173.43 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 163' ' ' PRO . . . . . . . . . . . . . 90.6 Cg_endo -77.16 64.18 7.81 Favored 'Trans proline' 0 N--CA 1.458 -0.576 0 C-N-CA 121.697 1.598 . . . . 0.0 111.233 -179.636 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 164' ' ' THR . . . . . . . . . . . . . 15.9 p -135.52 177.86 7.49 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.197 175.695 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 165' ' ' GLU . . . . . . . . . . . . . 25.2 pt-20 -76.71 -4.74 44.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.187 176.402 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 166' ' ' THR . . . . . . . . . . . . . 82.4 p -112.9 -26.69 8.41 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.162 -175.474 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 167' ' ' GLY . . . . . . . . . . . . . . . -63.9 -40.26 98.15 Favored Glycine 0 CA--C 1.523 0.568 0 N-CA-C 111.18 -0.768 . . . . 0.0 111.18 175.917 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 168' ' ' LEU . . . . . . . . . . . . . 96.0 mt -65.76 -35.53 80.97 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.793 0.33 . . . . 0.0 111.217 177.844 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 97.1 mt -67.78 -42.14 85.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.196 177.678 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 170' ' ' ALA . . . . . . . . . . . . . . . -60.84 -45.73 93.36 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.23 179.207 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 171' ' ' GLY . . . . . . . . . . . . . . . -67.36 -41.76 90.76 Favored Glycine 0 CA--C 1.524 0.606 0 N-CA-C 111.157 -0.777 . . . . 0.0 111.157 177.96 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 63.0 tp -55.34 -46.3 76.4 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.805 0.336 . . . . 0.0 111.222 177.583 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 173' ' ' ARG . . . . . . . . . . . . . 61.7 ttt85 -68.34 -39.83 81.77 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.202 177.123 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -60.56 -36.94 79.71 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.245 -175.224 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 54.7 p -63.05 -24.42 67.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.177 179.32 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 176' ' ' GLN . . . . . . . . . . . . . 88.9 mm-40 -100.56 2.01 41.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.192 -179.382 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 177' ' ' THR . . . . . . . . . . . . . 96.8 m -95.95 -51.81 4.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.166 -177.69 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 178' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -105.59 111.53 24.26 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.188 -177.643 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 179' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -65.54 129.87 41.28 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.212 174.396 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 180' ' ' LEU . . . . . . . . . . . . . 89.7 mt -85.1 145.14 27.8 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.214 -177.564 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 181' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -103.27 160.44 26.14 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.192 -178.201 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 182' ' ' PRO . . . . . . . . . . . . . 78.3 Cg_exo -54.01 144.76 55.69 Favored 'Trans proline' 0 N--CA 1.458 -0.572 0 C-N-CA 121.656 1.571 . . . . 0.0 111.189 179.761 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 183' ' ' PHE . . . . . . . . . . . . . 79.7 m-85 -74.49 147.48 84.91 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.257 -177.923 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 184' ' ' PRO . . . . . . . . . . . . . 57.6 Cg_endo -68.24 -19.68 44.05 Favored 'Trans proline' 0 N--CA 1.459 -0.545 0 C-N-CA 121.685 1.59 . . . . 0.0 111.186 176.827 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 185' ' ' VAL . . . . . . . . . . . . . 95.6 t -108.92 120.99 61.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.206 178.893 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 186' ' ' SER . . . . . . . . . . . . . 96.1 p -71.41 -21.24 62.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.212 -174.32 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 187' ' ' HIS . . . . . . . . . . . . . 96.8 m-70 -92.63 102.13 14.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.186 179.221 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 188' ' ' ASN . . . . . 0.586 ' HB3' ' HA ' ' A' ' 127' ' ' ARG . 82.9 m-20 -72.6 -39.66 6.06 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.168 176.359 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 189' ' ' PRO . . . . . 0.581 ' CD ' ' N ' ' A' ' 188' ' ' ASN . 75.9 Cg_exo -54.82 -30.27 67.03 Favored 'Trans proline' 0 N--CA 1.458 -0.577 0 C-N-CA 121.736 1.624 . . . . 0.0 111.191 178.719 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 190' ' ' SER . . . . . . . . . . . . . 74.6 m -70.45 -16.54 62.94 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.137 -177.195 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 191' ' ' PHE . . . . . 0.479 ' HA ' ' HB2' ' A' ' 194' ' ' LEU . 18.9 m-30 -60.16 -21.9 62.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.194 -178.852 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 192' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -43.5 -39.83 3.57 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.202 178.69 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 193' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -117.67 -19.77 9.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.181 -178.707 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 194' ' ' LEU . . . . . 0.479 ' HB2' ' HA ' ' A' ' 191' ' ' PHE . 4.6 mp -72.28 -57.8 3.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.247 -179.589 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 195' ' ' LEU . . . . . . . . . . . . . 85.1 mt -107.41 -47.05 3.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.153 -173.048 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 196' ' ' VAL . . . . . 0.419 HG22 HG22 ' A' ' 122' ' ' ILE . 71.5 t -56.91 -52.41 55.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.154 -167.736 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 197' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -66.72 -31.15 71.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.215 -179.603 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 198' ' ' THR . . . . . . . . . . . . . 96.7 m -71.13 -45.69 63.09 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.242 -176.769 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 199' ' ' ILE . . . . . . . . . . . . . 39.4 pt -86.92 -15.01 9.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.174 -169.904 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 200' ' ' TYR . . . . . . . . . . . . . 25.2 t80 -102.96 39.96 1.46 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.205 174.523 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 201' ' ' SER . . . . . . . . . . . . . 47.1 t . . . . . 0 C--O 1.2 -1.515 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.223 -178.14 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.561 0 N-CA-C 111.173 -0.771 . . . . 0.0 111.173 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 96.9 mt -71.87 -44.97 66.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.791 0.329 . . . . 0.0 111.214 -179.682 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 46.3 pt -115.07 8.02 7.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.088 -179.485 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -145.01 109.75 5.02 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.198 179.37 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 93.9 mt-10 -124.95 72.32 1.22 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.233 -179.833 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -80.85 150.02 29.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.14 -178.402 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.515 ' HB3' ' HA ' ' A' ' 110' ' ' SER . . . -122.84 144.29 49.3 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.237 -176.408 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.441 HD23 ' HB2' ' A' ' 112' ' ' LEU . 92.6 mt -111.37 146.45 37.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.222 -178.634 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 9' ' ' PHE . . . . . 0.445 ' C ' ' CD1' ' A' ' 9' ' ' PHE . 1.0 OUTLIER -120.01 93.0 3.91 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.19 177.798 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 98.4 t -81.43 121.88 35.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.235 -176.44 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 75.5 m -125.06 116.07 21.52 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.195 169.438 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.444 ' HA ' ' HB2' ' A' ' 116' ' ' HIS . 79.3 m -80.28 151.01 29.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.216 -176.601 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -94.96 -164.92 35.39 Favored Glycine 0 CA--C 1.523 0.587 0 N-CA-C 111.209 -0.757 . . . . 0.0 111.209 -179.388 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -101.47 -30.19 11.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.757 0.313 . . . . 0.0 111.209 -174.378 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 95.7 m -60.16 -50.77 72.37 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.193 -173.755 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 96.6 t -92.82 134.82 26.96 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.16 178.813 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 89.7 Cg_exo -46.81 133.31 17.46 Favored 'Trans proline' 0 N--CA 1.458 -0.581 0 C-N-CA 121.7 1.6 . . . . 0.0 111.183 179.378 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' PHE . . . . . 0.562 ' HB3' ' HD3' ' A' ' 19' ' ' PRO . 89.7 t80 -58.14 -44.72 99.52 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.132 -172.289 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.562 ' HD3' ' HB3' ' A' ' 18' ' ' PHE . 76.7 Cg_exo -55.22 -37.31 94.42 Favored 'Trans proline' 0 N--CA 1.458 -0.612 0 C-N-CA 121.753 1.635 . . . . 0.0 111.226 -179.864 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -73.92 -40.55 63.04 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.202 -175.185 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 89.4 mt -64.95 -35.72 82.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.231 178.636 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 70.0 t -72.54 -40.98 63.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.206 177.092 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 48.4 t -59.86 -41.06 90.64 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.169 -178.419 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 86.8 m -62.19 -30.74 71.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.175 178.613 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 73.7 t -82.89 -30.98 8.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.17 -179.233 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 96.7 mt -87.76 2.89 50.06 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.2 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 9.7 t -56.04 140.02 44.89 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.184 175.36 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 97.0 m-20 -64.8 -39.22 93.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.18 179.412 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -72.5 -37.93 68.26 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.151 179.068 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 69.9 t80 -56.12 -48.7 75.69 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.231 173.47 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 87.4 m -67.49 -38.88 85.03 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.197 179.617 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 66.6 tt0 -55.6 -41.26 73.17 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.197 178.51 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 71.0 mm-40 -65.03 -43.11 93.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.174 179.102 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.401 HD21 HD13 ' A' ' 172' ' ' LEU . 81.7 mt -59.36 -35.72 74.4 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.23 -178.853 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 91.2 mt -59.57 -40.05 81.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.167 179.255 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 90.2 mt-30 -75.37 -34.43 61.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.215 179.236 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 13.7 m-30 -65.07 -41.16 95.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.154 -177.181 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 121.58 21.16 3.05 Favored Glycine 0 CA--C 1.524 0.639 0 N-CA-C 111.221 -0.752 . . . . 0.0 111.221 -177.597 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 92.3 m-85 -99.81 133.33 44.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.805 0.336 . . . . 0.0 111.204 176.641 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 87.5 t -121.14 -35.53 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.185 -173.65 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 81.9 mtt85 -110.22 109.95 20.61 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.213 -178.342 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 65.3 tp -110.63 101.49 10.14 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.156 -177.307 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.506 HG12 ' HB ' ' A' ' 94' ' ' ILE . 96.0 mt -101.81 134.49 42.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.14 -174.797 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 78.4 mt -121.19 130.57 74.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.223 177.851 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 66.2 tt0 -75.18 127.72 33.85 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.216 174.032 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' PHE . . . . . 0.471 ' CB ' ' HA3' ' A' ' 47' ' ' GLY . 72.6 m-85 -119.76 158.33 26.75 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.234 177.715 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 47' ' ' GLY . . . . . 0.471 ' HA3' ' CB ' ' A' ' 46' ' ' PHE . . . 123.12 18.4 3.13 Favored Glycine 0 CA--C 1.524 0.627 0 N-CA-C 111.247 -0.741 . . . . 0.0 111.247 5.707 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 96.9 mtt180 65.03 56.86 1.01 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.823 0.344 . . . . 0.0 111.192 173.952 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 76.4 m-20 52.91 44.95 29.73 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.253 174.734 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 28.0 t80 -66.83 -18.41 65.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.173 -179.209 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 31.7 m -49.7 -35.41 21.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.192 175.503 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 88.8 p -69.77 -18.29 63.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.178 -177.111 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 73.6 mm-40 -80.94 -19.9 43.19 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.252 -178.799 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 72.2 m-85 -73.73 -15.62 61.21 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.183 177.54 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 75.2 mm-40 -63.26 -18.42 63.54 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.21 173.482 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 98.4 m-70 -108.92 -34.94 6.49 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.149 178.075 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 60.7 tp -73.05 -57.72 3.83 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.211 -178.761 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 71.8 t -65.08 -38.81 83.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.141 -178.651 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 68.7 tp60 -65.1 -40.7 94.95 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.196 179.332 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 89.1 tt0 -66.67 -40.16 88.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.214 176.476 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -74.49 -22.24 59.17 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.267 -179.077 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 85.68 31.88 20.14 Favored Glycine 0 CA--C 1.524 0.616 0 N-CA-C 111.233 -0.747 . . . . 0.0 111.233 174.571 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -95.01 -166.28 35.7 Favored Glycine 0 CA--C 1.523 0.556 0 N-CA-C 111.163 -0.775 . . . . 0.0 111.163 -179.758 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 95.8 mm-40 -122.53 154.61 37.65 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.805 0.336 . . . . 0.0 111.222 176.736 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 33.5 ptt-85 -155.54 133.97 11.72 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.215 -173.952 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -150.93 138.81 19.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.188 -176.894 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 87.2 p -72.76 164.02 27.2 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.215 -172.277 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 64.3 tt0 -130.63 129.52 42.79 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.121 179.142 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -95.16 75.6 3.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.238 -176.131 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 95.1 mt -75.01 129.58 82.74 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.182 174.719 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 87.9 Cg_exo -55.03 129.18 33.94 Favored 'Trans proline' 0 N--CA 1.458 -0.591 0 C-N-CA 121.754 1.636 . . . . 0.0 111.128 -174.873 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 96.4 mt -71.21 -38.06 68.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.238 174.279 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 99.3 m-20 -64.42 -37.38 87.31 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.229 -178.608 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 64.6 tt0 -85.68 -43.78 13.13 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.141 -174.697 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 97.5 m-85 -114.98 -44.33 3.04 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.222 -174.852 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 96.19 16.4 38.08 Favored Glycine 0 CA--C 1.522 0.504 0 N-CA-C 111.233 -0.747 . . . . 0.0 111.233 -177.701 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 77' ' ' CYS . . . . . 0.426 ' SG ' ' HB2' ' A' ' 81' ' ' ALA . 45.3 t -65.35 139.96 58.62 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.751 0.31 . . . . 0.0 111.221 -179.727 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -82.88 -164.73 36.1 Favored Glycine 0 CA--C 1.524 0.601 0 N-CA-C 111.156 -0.778 . . . . 0.0 111.156 -179.318 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 58.5 p-10 -95.68 11.94 31.57 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.792 0.329 . . . . 0.0 111.235 -174.352 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 81.2 p -88.48 -15.09 36.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.191 178.596 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.426 ' HB2' ' SG ' ' A' ' 77' ' ' CYS . . . -55.54 111.62 0.94 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.199 178.1 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 42.8 ttt180 -148.53 140.25 23.68 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.157 178.681 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 83' ' ' GLN . . . . . 0.421 ' HG2' HG12 ' A' ' 94' ' ' ILE . 78.5 mt-30 -96.93 144.35 26.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.174 177.946 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 84' ' ' TYR . . . . . 0.426 ' N ' ' O ' ' A' ' 93' ' ' VAL . 60.5 m-85 -129.72 92.07 3.26 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.14 -173.674 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 91.8 t -74.36 113.08 12.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.191 -175.007 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 91.0 mt -128.69 172.82 10.87 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.174 -172.946 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 85.2 mmm 70.01 33.13 2.84 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.218 177.479 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 96.5 m-20 64.89 35.06 8.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.18 -178.883 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 75.08 40.04 35.84 Favored Glycine 0 CA--C 1.524 0.61 0 N-CA-C 111.183 -0.767 . . . . 0.0 111.183 179.125 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -119.03 -20.0 8.25 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.826 0.346 . . . . 0.0 111.212 -178.693 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 50.0 tp -141.03 129.99 23.17 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.173 174.667 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -100.53 102.89 14.18 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.245 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 93' ' ' VAL . . . . . 0.426 ' O ' ' N ' ' A' ' 84' ' ' TYR . 89.2 t -89.64 124.99 42.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.225 177.958 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 94' ' ' ILE . . . . . 0.506 ' HB ' HG12 ' A' ' 43' ' ' ILE . 64.8 mt -122.47 134.92 64.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.203 -172.381 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -114.98 134.13 11.44 Favored Glycine 0 CA--C 1.524 0.625 0 N-CA-C 111.213 -0.755 . . . . 0.0 111.213 -173.308 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 70.6 m-85 -130.03 143.37 50.76 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.837 0.351 . . . . 0.0 111.197 166.904 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 60.0 t0 -94.96 82.79 3.86 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.216 169.464 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 5.6 m-30 -116.01 140.02 49.68 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.209 -166.361 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 59.6 p -76.31 -179.02 4.84 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.17 169.736 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 77.1 p -71.01 -14.3 62.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.269 178.136 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -92.86 -8.85 42.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.195 177.758 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 64.2 mtt -105.01 1.59 28.79 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.176 179.527 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 95.0 mt-30 -62.32 -31.44 72.06 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.161 179.56 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 104' ' ' SER . . . . . 0.523 ' HA ' ' HG2' ' A' ' 107' ' ' ARG . 39.2 m -64.94 -24.84 67.64 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.209 -178.169 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 96.4 mt -63.08 -43.75 99.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.176 176.674 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 86.3 mt -74.54 -42.05 48.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.207 -175.073 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 107' ' ' ARG . . . . . 0.523 ' HG2' ' HA ' ' A' ' 104' ' ' SER . 24.9 ptt180 -70.33 -10.08 57.99 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.243 -175.67 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 97.0 m-20 -73.15 -17.61 61.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.137 169.453 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 109' ' ' TYR . . . . . . . . . . . . . 72.2 m-85 -112.3 -26.68 8.64 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.259 177.534 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 110' ' ' SER . . . . . 0.515 ' HA ' ' HB3' ' A' ' 7' ' ' ALA . 75.2 m -90.54 157.5 17.5 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.201 -173.428 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 61.0 m-20 -105.01 -56.06 2.23 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.205 177.898 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 112' ' ' LEU . . . . . 0.441 ' HB2' HD23 ' A' ' 8' ' ' LEU . 8.8 mp -105.82 109.44 21.39 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.188 -174.544 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 113' ' ' VAL . . . . . 0.437 ' HA ' ' HB3' ' A' ' 9' ' ' PHE . 9.9 p -71.47 141.74 16.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.144 173.856 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 89.8 mt -120.19 109.69 26.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.198 176.683 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 37.6 t -101.15 109.58 21.48 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.202 -178.11 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 116' ' ' HIS . . . . . 0.444 ' HB2' ' HA ' ' A' ' 12' ' ' CYS . 83.7 m-70 -82.39 143.66 31.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.171 -178.915 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . 55.05 54.5 8.84 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.179 171.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 121.53 -171.03 14.91 Favored Glycine 0 CA--C 1.523 0.564 0 N-CA-C 111.244 -0.742 . . . . 0.0 111.244 174.12 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 41.3 p -107.14 36.51 2.66 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.791 0.329 . . . . 0.0 111.14 -172.382 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -58.75 -46.95 92.7 Favored Glycine 0 CA--C 1.523 0.59 0 N-CA-C 111.213 -0.755 . . . . 0.0 111.213 -174.859 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 9.8 m -105.01 24.95 11.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.817 0.342 . . . . 0.0 111.218 -175.225 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 122' ' ' ILE . . . . . 0.424 HD11 HG21 ' A' ' 158' ' ' VAL . 16.1 tt -65.19 -20.01 26.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.155 -179.281 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 92.0 mt -96.64 -8.97 30.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.221 -172.612 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 124' ' ' ASP . . . . . 0.4 ' HB2' HG21 ' A' ' 113' ' ' VAL . 89.1 m-20 -68.34 -46.58 69.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.199 -171.773 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 63.1 m -98.74 3.11 47.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.097 -179.541 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 66.3 tp -62.67 -52.67 62.41 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.208 176.941 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -66.75 -24.66 66.24 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.213 178.921 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 96.5 mt -77.06 -11.67 59.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.238 179.443 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 77.5 m-20 66.6 34.91 5.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.237 -179.82 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 40.9 mmtm -113.06 155.76 43.82 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.164 -178.948 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_exo -54.94 138.06 77.19 Favored 'Trans proline' 0 N--CA 1.458 -0.613 0 C-N-CA 121.71 1.606 . . . . 0.0 111.233 178.578 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 132' ' ' LEU . . . . . 0.58 ' HB2' HG22 ' A' ' 158' ' ' VAL . 78.9 mt -102.82 130.69 49.9 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.163 -177.822 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 42.4 mm -108.94 118.53 56.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.219 176.392 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 76.9 t -124.9 124.95 68.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.194 179.82 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 135' ' ' CYS . . . . . 0.431 ' HB3' ' HA ' ' A' ' 116' ' ' HIS . 47.4 t -104.05 130.26 51.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.233 175.651 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 32.8 m -85.03 151.32 3.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.21 177.251 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 48.1 p30 -96.87 -168.46 1.71 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.24 -179.2 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 57.6 p-10 -103.45 12.24 35.46 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.233 -176.153 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 60.1 p -100.23 -29.95 12.17 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.203 176.952 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 83.2 mt -58.92 130.52 47.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.236 175.066 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 141' ' ' MET . . . . . . . . . . . . . 60.5 ttm -59.76 144.11 49.17 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.254 179.42 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 98.9 m-20 -49.87 -41.84 46.35 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.278 -176.146 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 99.1 m-20 -74.96 -30.0 61.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.273 179.271 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 144' ' ' HIS . . . . . . . . . . . . . 16.4 t-160 -71.2 -54.24 11.66 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.222 -178.789 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 145' ' ' GLN . . . . . . . . . . . . . 10.5 pt20 -66.02 -21.86 66.41 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.19 179.368 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 146' ' ' GLN . . . . . . . . . . . . . 72.1 tp60 -70.08 -45.06 67.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.22 172.373 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 147' ' ' GLN . . . . . . . . . . . . . 34.4 tt0 -58.35 -44.14 88.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.246 172.742 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 148' ' ' ILE . . . . . . . . . . . . . 94.1 mt -59.68 -46.38 93.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.237 -179.402 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -67.67 -40.27 84.44 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.177 177.386 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 92.5 m-20 -62.38 -34.2 76.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.258 178.677 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 151' ' ' LYS . . . . . 0.428 ' HD3' ' HA ' ' A' ' 151' ' ' LYS . 61.2 mmtt -80.1 -30.08 39.11 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.194 -178.895 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 152' ' ' PHE . . . . . . . . . . . . . 14.5 m-30 -59.93 -38.65 82.97 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.228 171.253 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 153' ' ' VAL . . . . . . . . . . . . . 79.1 t -68.46 -40.05 81.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.222 176.762 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -76.37 -19.63 57.98 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.145 176.642 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 155' ' ' LEU . . . . . . . . . . . . . 62.8 tp -80.22 -54.47 5.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.19 -177.107 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 156' ' ' GLY . . . . . 0.491 ' HA2' ' HB2' ' A' ' 180' ' ' LEU . . . 85.18 8.0 82.38 Favored Glycine 0 CA--C 1.523 0.544 0 N-CA-C 111.154 -0.778 . . . . 0.0 111.154 174.454 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 157' ' ' TYR . . . . . . . . . . . . . 98.9 m-85 -116.22 -25.0 7.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.794 0.33 . . . . 0.0 111.229 177.615 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 158' ' ' VAL . . . . . 0.58 HG22 ' HB2' ' A' ' 132' ' ' LEU . 57.6 t -119.95 140.03 45.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.217 -176.356 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 159' ' ' TRP . . . . . . . . . . . . . 16.9 m-90 -114.93 140.98 48.56 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.232 175.468 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 160' ' ' SER . . . . . . . . . . . . . 35.2 t -87.9 138.14 31.72 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.153 -172.444 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 161' ' ' CYS . . . . . 0.416 ' SG ' ' HA3' ' A' ' 171' ' ' GLY . 73.4 m -122.07 151.7 40.61 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.214 169.777 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -88.64 155.68 50.64 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.218 177.17 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 163' ' ' PRO . . . . . . . . . . . . . 95.2 Cg_endo -77.0 65.04 7.81 Favored 'Trans proline' 0 N--CA 1.458 -0.573 0 C-N-CA 121.667 1.578 . . . . 0.0 111.169 -179.743 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 164' ' ' THR . . . . . . . . . . . . . 13.0 t -159.93 -179.13 7.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.203 176.647 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 165' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -62.92 -45.97 90.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.195 -173.17 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 166' ' ' THR . . . . . . . . . . . . . 71.6 p -89.8 -10.11 46.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.199 -174.165 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 167' ' ' GLY . . . . . . . . . . . . . . . -66.67 -43.34 92.21 Favored Glycine 0 CA--C 1.524 0.598 0 N-CA-C 111.193 -0.763 . . . . 0.0 111.193 -178.549 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 168' ' ' LEU . . . . . . . . . . . . . 42.9 tp -66.05 -50.48 64.01 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.858 0.361 . . . . 0.0 111.128 179.819 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 169' ' ' ILE . . . . . 0.408 HD12 ' HA ' ' A' ' 169' ' ' ILE . 8.6 tp -67.37 -23.69 30.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.212 -175.854 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 170' ' ' ALA . . . . . . . . . . . . . . . -69.74 -43.03 73.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.25 174.176 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 171' ' ' GLY . . . . . 0.416 ' HA3' ' SG ' ' A' ' 161' ' ' CYS . . . -71.64 -30.61 66.14 Favored Glycine 0 CA--C 1.522 0.513 0 N-CA-C 111.241 -0.743 . . . . 0.0 111.241 177.148 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 172' ' ' LEU . . . . . 0.401 HD13 HD21 ' A' ' 34' ' ' LEU . 81.6 mt -69.53 -34.52 74.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.753 0.311 . . . . 0.0 111.17 174.571 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 173' ' ' ARG . . . . . . . . . . . . . 37.1 ttm180 -66.71 -39.99 88.26 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.25 168.444 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -65.02 -33.57 76.37 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.234 -176.687 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 47.4 p -64.89 -18.28 65.05 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.163 178.195 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 176' ' ' GLN . . . . . . . . . . . . . 93.5 mm-40 -106.63 -26.96 11.12 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.211 -176.36 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 177' ' ' THR . . . . . . . . . . . . . 79.3 p -115.04 -42.87 3.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.189 -171.254 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 178' ' ' GLU . . . . . . . . . . . . . 18.5 tp10 -84.95 107.86 17.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.259 -172.394 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 179' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -80.21 119.35 22.85 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.25 175.036 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 180' ' ' LEU . . . . . 0.491 ' HB2' ' HA2' ' A' ' 156' ' ' GLY . 74.0 mt -102.84 168.63 9.1 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.225 178.396 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 181' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -79.98 118.15 70.98 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.174 -175.03 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 182' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_exo -58.22 129.09 31.21 Favored 'Trans proline' 0 N--CA 1.458 -0.598 0 C-N-CA 121.706 1.604 . . . . 0.0 111.167 178.529 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 183' ' ' PHE . . . . . . . . . . . . . 9.6 t80 -71.87 139.99 83.28 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.259 172.693 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 184' ' ' PRO . . . . . . . . . . . . . 95.7 Cg_exo -50.93 -37.71 56.75 Favored 'Trans proline' 0 N--CA 1.459 -0.552 0 C-N-CA 121.699 1.599 . . . . 0.0 111.211 -176.705 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 185' ' ' VAL . . . . . . . . . . . . . 98.8 t -75.97 130.76 35.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.255 -178.909 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 186' ' ' SER . . . . . . . . . . . . . 84.2 p -116.99 5.09 12.81 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.201 178.504 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 187' ' ' HIS . . . . . . . . . . . . . 96.2 m-70 -90.06 120.45 31.26 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.195 -177.673 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 188' ' ' ASN . . . . . 0.536 ' HB2' ' HD3' ' A' ' 189' ' ' PRO . 98.5 m-20 -64.92 -44.58 72.48 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.207 178.953 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 189' ' ' PRO . . . . . 0.536 ' HD3' ' HB2' ' A' ' 188' ' ' ASN . 73.2 Cg_exo -53.95 -34.89 78.5 Favored 'Trans proline' 0 N--CA 1.458 -0.572 0 C-N-CA 121.628 1.552 . . . . 0.0 111.24 179.518 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 190' ' ' SER . . . . . . . . . . . . . 74.6 m -70.56 -38.81 74.19 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.217 177.827 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 191' ' ' PHE . . . . . 0.472 ' HA ' ' HB3' ' A' ' 194' ' ' LEU . 22.3 m-85 -71.71 -15.81 62.21 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.26 -175.264 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 192' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -60.1 -25.39 65.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.187 -179.628 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 193' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -123.84 -28.65 3.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.163 175.962 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 194' ' ' LEU . . . . . 0.472 ' HB3' ' HA ' ' A' ' 191' ' ' PHE . 59.5 tp -65.13 -37.49 87.6 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.193 -176.504 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 195' ' ' LEU . . . . . . . . . . . . . 48.2 mt -51.63 -54.02 32.34 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.186 -178.695 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 196' ' ' VAL . . . . . . . . . . . . . 68.6 t -63.09 -39.72 86.31 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.151 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 197' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -58.27 -43.91 88.16 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.165 -178.017 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 198' ' ' THR . . . . . . . . . . . . . 82.8 p -90.1 -31.26 17.2 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.182 -172.069 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 199' ' ' ILE . . . . . . . . . . . . . 92.2 mt -71.11 -50.62 40.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.248 178.647 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 200' ' ' TYR . . . . . . . . . . . . . 91.4 m-85 -99.86 25.12 7.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.162 -176.325 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 201' ' ' SER . . . . . . . . . . . . . 42.2 t . . . . . 0 C--O 1.2 -1.535 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.243 177.792 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 60.2 mm-40 . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.821 0.343 . . . . 0.0 111.229 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -83.36 151.99 25.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.22 179.162 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -154.72 144.32 21.45 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.186 -176.579 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 63.2 tp -111.2 122.56 48.19 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.228 176.118 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 70.6 t80 -102.45 129.61 48.99 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.234 -174.182 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 97.2 t -115.32 128.88 72.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.274 177.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 9.1 t -136.66 147.38 46.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.193 174.215 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 75.7 m -121.99 151.98 40.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.185 -176.264 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -91.77 -166.89 40.13 Favored Glycine 0 CA--C 1.523 0.57 0 N-CA-C 111.145 -0.782 . . . . 0.0 111.145 174.793 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -98.46 5.89 47.67 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.806 0.336 . . . . 0.0 111.267 178.595 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 90.3 m -60.22 -45.96 91.4 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.206 -176.148 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 27.7 m -132.73 162.17 59.0 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.26 178.756 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_exo -55.09 137.59 76.89 Favored 'Trans proline' 0 N--CA 1.458 -0.575 0 C-N-CA 121.699 1.6 . . . . 0.0 111.163 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . 0.537 ' N ' ' CD ' ' A' ' 19' ' ' PRO . 69.6 t80 -66.53 -42.99 50.09 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.212 -178.6 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . 0.537 ' CD ' ' N ' ' A' ' 18' ' ' PHE . 79.8 Cg_exo -51.61 -35.7 57.83 Favored 'Trans proline' 0 N--CA 1.458 -0.571 0 C-N-CA 121.644 1.563 . . . . 0.0 111.173 -178.918 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -73.18 -24.02 60.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.127 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 87.0 mt -87.18 -9.06 56.16 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.236 -179.091 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 75.4 t -73.07 -40.9 59.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.19 178.06 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 84.1 p -71.14 -19.73 62.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.217 -179.867 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 87.0 m -78.51 -16.65 57.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.248 -179.628 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 26.8 m -120.76 3.96 6.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.243 -178.66 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 91.1 mt -126.26 31.71 5.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.188 171.676 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 51.5 p -79.64 164.98 23.35 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.23 178.196 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 89.0 m-20 -59.55 -46.28 89.34 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.244 -178.508 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -73.91 -40.86 62.84 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.181 -178.56 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 57.4 t80 -55.08 -46.15 75.43 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.18 -177.048 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 89.5 m -75.9 -42.43 49.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.133 -178.336 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 65.2 tt0 -65.99 -33.67 76.35 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.242 -173.778 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 73.4 mm-40 -80.03 -39.72 29.27 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.229 -174.706 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.469 HD21 HD13 ' A' ' 172' ' ' LEU . 40.1 mt -65.7 -36.32 83.3 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.204 -172.901 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 49.4 pt -69.05 -11.63 15.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.206 179.257 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 61.0 mt-30 -101.33 -12.42 18.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.244 174.217 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 19.2 m-30 -90.26 -27.59 19.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.219 178.463 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 113.55 22.82 5.31 Favored Glycine 0 CA--C 1.523 0.531 0 N-CA-C 111.199 -0.761 . . . . 0.0 111.199 -177.568 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 88.4 m-85 -118.3 75.09 0.99 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.783 0.325 . . . . 0.0 111.183 177.178 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 31.1 m -94.09 -6.43 10.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.199 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 92.0 mtt-85 -109.48 93.52 4.55 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.2 175.653 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 60.1 tp -104.08 116.24 31.87 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.252 -175.63 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 5.3 mp -114.18 119.54 61.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.198 -179.276 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 65.4 mt -115.54 124.79 72.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.162 -175.469 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 3.5 pp0? -102.42 144.82 30.4 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.232 -169.209 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 31.9 p90 -151.79 160.09 43.69 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.238 172.431 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -102.56 -27.92 6.56 Favored Glycine 0 CA--C 1.522 0.499 0 N-CA-C 111.27 -0.732 . . . . 0.0 111.27 -178.544 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 96.6 mtt-85 -111.8 146.68 37.2 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.778 0.323 . . . . 0.0 111.163 175.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 57.9 t-20 -59.36 109.33 0.85 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.195 -174.298 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 74.0 m-85 -124.81 27.65 6.73 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.161 172.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 92.9 p -66.38 -22.39 66.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.242 -172.137 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 93.3 p -71.99 -25.45 61.84 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.218 179.355 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 73.2 mm-40 -75.59 -26.85 58.24 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.202 178.665 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 98.3 m-85 -80.14 -45.46 18.12 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.23 176.154 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 88.2 tt0 -63.46 -36.69 84.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.219 178.184 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 83.9 t60 -56.58 -54.59 44.21 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.272 -178.86 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 84.2 mt -68.54 -25.4 64.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.217 -173.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 55.1 t -66.77 -42.45 89.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.245 171.136 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 88.2 mt-30 -70.35 -21.45 62.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.188 176.433 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 77.5 mm-40 -81.15 -2.42 48.41 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.202 176.634 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 90.6 mmt-85 -126.18 -3.11 6.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.228 175.138 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 74.62 27.03 66.03 Favored Glycine 0 CA--C 1.523 0.576 0 N-CA-C 111.226 -0.75 . . . . 0.0 111.226 174.897 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -86.32 -172.24 48.45 Favored Glycine 0 CA--C 1.523 0.555 0 N-CA-C 111.197 -0.761 . . . . 0.0 111.197 -178.452 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 97.1 mm-40 -115.03 171.89 7.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.757 0.313 . . . . 0.0 111.195 178.822 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -168.04 150.01 5.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.182 176.279 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 44.5 tt0 -151.0 130.46 12.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.181 -175.06 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 69.7 m -72.86 121.0 19.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.277 172.623 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 89.5 mt-30 -130.01 154.87 46.96 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.264 -168.348 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -80.08 70.31 6.65 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.174 175.726 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 46.1 mm -62.07 123.37 77.62 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.232 -176.705 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 58.4 Cg_exo -57.66 129.9 36.01 Favored 'Trans proline' 0 N--CA 1.458 -0.584 0 C-N-CA 121.704 1.603 . . . . 0.0 111.19 -177.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 93.9 mt -71.24 -36.49 62.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.226 171.379 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 99.0 m-20 -61.93 -37.08 83.36 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.173 178.865 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 50.9 tp60 -79.96 -65.3 1.02 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.246 -179.514 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 95.5 m-85 -97.73 -43.47 7.15 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.187 -173.613 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 112.97 -15.62 23.41 Favored Glycine 0 CA--C 1.522 0.482 0 N-CA-C 111.175 -0.77 . . . . 0.0 111.175 -176.351 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 71.6 m -71.66 159.91 33.58 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.845 0.355 . . . . 0.0 111.127 176.536 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -92.85 -166.96 38.9 Favored Glycine 0 CA--C 1.523 0.56 0 N-CA-C 111.239 -0.745 . . . . 0.0 111.239 -174.088 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 99.1 m-20 -84.66 -7.09 59.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.805 0.336 . . . . 0.0 111.213 -174.381 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 69.7 p -96.9 0.82 49.67 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.204 178.665 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -65.23 144.7 57.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.231 176.731 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 43.4 ttm180 -114.14 132.49 56.05 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.129 -179.054 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 49.7 tt0 -91.38 129.9 37.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.147 173.747 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' TYR . . . . . 0.433 ' HB2' ' HB ' ' A' ' 93' ' ' VAL . 76.8 m-85 -111.59 140.15 46.44 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.223 178.312 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 92.4 t -105.47 111.72 35.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.252 -174.416 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 92.8 mt -125.83 158.43 35.04 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.157 179.621 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 76.8 mmm 60.56 33.0 20.53 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.161 178.346 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 96.5 m-20 65.08 34.09 9.02 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.144 177.728 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 94.97 -4.08 67.71 Favored Glycine 0 CA--C 1.523 0.567 0 N-CA-C 111.252 -0.739 . . . . 0.0 111.252 175.013 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -74.73 -26.69 59.97 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.781 0.324 . . . . 0.0 111.15 -179.794 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 65.5 tp -117.31 120.78 39.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.176 175.608 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -108.08 117.43 34.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.213 175.855 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . 0.433 ' HB ' ' HB2' ' A' ' 84' ' ' TYR . 64.0 t -110.71 125.38 68.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.214 -174.872 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 88.1 mt -105.92 121.47 58.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.158 177.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -114.71 135.02 12.05 Favored Glycine 0 CA--C 1.523 0.573 0 N-CA-C 111.188 -0.765 . . . . 0.0 111.188 175.634 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 72.4 t80 -156.82 141.19 16.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.826 0.346 . . . . 0.0 111.143 -173.448 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 63.1 t0 -83.3 105.05 13.94 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.199 173.879 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 69.1 m-85 -83.32 145.0 29.32 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.161 -173.749 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 47.8 t -115.02 -65.0 1.24 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.17 -171.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 41.9 p -116.75 -105.2 0.4 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.228 -169.062 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -97.17 0.95 49.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.189 -173.468 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 76.5 mtm -62.97 -29.91 71.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.163 179.462 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 7.8 pt20 -73.17 -22.39 60.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.188 178.879 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 71.5 m -84.84 -29.84 24.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.227 176.82 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 96.8 mt -64.0 -48.59 85.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.128 175.226 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 8.8 tp -66.82 -30.02 48.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.178 -179.819 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 81.3 mtm-85 -63.62 -49.12 74.54 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.201 175.684 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 97.9 m-20 -64.77 -35.92 82.63 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.248 177.187 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 109' ' ' TYR . . . . . . . . . . . . . 88.6 t80 -67.78 -40.23 83.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.213 178.31 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 77.4 p -70.84 166.41 21.13 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.208 -175.045 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 45.7 m-20 -101.31 -34.47 9.61 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.229 178.189 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 64.5 tp -137.3 129.87 29.96 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.199 -172.19 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 99.4 t -104.09 129.53 56.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.187 -176.766 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 114' ' ' ILE . . . . . 0.432 HD11 HD21 ' A' ' 172' ' ' LEU . 96.4 mt -106.39 123.71 61.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.245 173.881 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 48.1 t -108.47 113.77 27.07 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.232 175.847 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 93.0 m-70 -83.73 89.88 7.22 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.193 172.494 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . 47.55 45.05 17.52 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.22 -177.673 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -88.2 175.05 44.31 Favored Glycine 0 CA--C 1.523 0.564 0 N-CA-C 111.252 -0.739 . . . . 0.0 111.252 -179.133 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 38.0 p -125.09 -70.38 0.75 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.832 0.349 . . . . 0.0 111.187 177.858 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -65.83 -27.81 73.08 Favored Glycine 0 CA--C 1.524 0.639 0 N-CA-C 111.153 -0.779 . . . . 0.0 111.153 177.722 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 84.5 p -65.18 -30.77 71.71 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.798 0.332 . . . . 0.0 111.174 178.644 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 122' ' ' ILE . . . . . . . . . . . . . 95.0 mt -69.13 -44.37 80.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.214 173.907 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 81.5 mt -61.46 -35.27 77.15 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.242 174.926 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 96.1 m-20 -65.95 -50.41 64.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.17 -175.912 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 21.1 t -62.71 -40.46 97.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.181 179.516 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 88.4 mt -73.42 -20.64 60.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.199 -179.851 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 80.8 ttt180 -85.81 -35.11 20.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.183 176.727 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 97.0 mt -89.05 2.92 53.32 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.238 -176.031 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 33.0 m120 65.84 37.32 5.63 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.228 177.426 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 71.7 mmtt -108.78 145.71 32.23 Favored Pre-proline 0 C--N 1.33 -0.257 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.209 176.383 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_endo -65.02 143.97 80.68 Favored 'Trans proline' 0 N--CA 1.459 -0.52 0 C-N-CA 121.693 1.596 . . . . 0.0 111.163 175.16 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 61.0 tp -131.49 124.05 29.34 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.185 -167.671 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 83.1 mt -106.6 121.04 58.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.191 166.867 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 81.0 t -108.81 118.54 56.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.209 -176.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 135' ' ' CYS . . . . . . . . . . . . . 52.8 t -93.41 122.15 35.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.181 174.088 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 27.1 m -84.66 172.83 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.276 -176.278 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 64.3 t30 . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.195 179.426 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.759 0.314 . . . . 0.0 111.241 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 93.7 m-20 -59.51 -38.84 82.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.173 -176.512 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 151' ' ' LYS . . . . . . . . . . . . . 74.9 mmtt -84.72 -33.83 23.04 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.147 -173.263 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 152' ' ' PHE . . . . . . . . . . . . . 11.0 m-30 -71.01 -36.16 72.31 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.247 176.184 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 153' ' ' VAL . . . . . . . . . . . . . 54.0 t -68.41 -40.2 81.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.215 173.387 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -56.82 -41.01 77.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.155 171.026 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 155' ' ' LEU . . . . . . . . . . . . . 44.6 tp -59.65 -58.29 9.25 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.23 176.424 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . 96.0 5.26 59.73 Favored Glycine 0 CA--C 1.522 0.504 0 N-CA-C 111.194 -0.762 . . . . 0.0 111.194 175.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 157' ' ' TYR . . . . . . . . . . . . . 34.8 m-85 -122.63 -10.79 8.31 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.8 0.333 . . . . 0.0 111.23 -179.313 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 158' ' ' VAL . . . . . . . . . . . . . 77.9 t -129.82 140.0 50.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.215 173.168 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 159' ' ' TRP . . . . . . . . . . . . . 51.9 t-105 -121.77 128.43 51.73 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.242 179.7 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 160' ' ' SER . . . . . . . . . . . . . 33.6 t -94.61 139.13 31.61 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.222 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 161' ' ' CYS . . . . . . . . . . . . . 91.8 m -125.46 151.78 45.8 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.16 179.171 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -74.51 161.12 79.37 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.19 -178.431 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 163' ' ' PRO . . . . . . . . . . . . . 85.5 Cg_endo -79.5 64.2 8.82 Favored 'Trans proline' 0 N--CA 1.457 -0.653 0 C-N-CA 121.773 1.649 . . . . 0.0 111.219 -177.632 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 164' ' ' THR . . . . . . . . . . . . . 1.9 p -140.16 174.06 10.89 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.167 174.791 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 165' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -83.57 12.25 5.99 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.253 178.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 166' ' ' THR . . . . . . . . . . . . . 74.5 p -132.23 -25.48 1.98 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.223 -174.599 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 167' ' ' GLY . . . . . . . . . . . . . . . -64.93 -33.92 88.53 Favored Glycine 0 CA--C 1.524 0.611 0 N-CA-C 111.223 -0.751 . . . . 0.0 111.223 178.845 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 168' ' ' LEU . . . . . . . . . . . . . 55.5 tp -68.44 -52.04 37.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.77 0.319 . . . . 0.0 111.172 -179.013 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 10.0 tp -67.79 -24.2 30.44 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.187 -179.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 170' ' ' ALA . . . . . . . . . . . . . . . -65.34 -41.03 94.33 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.204 170.529 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 171' ' ' GLY . . . . . . . . . . . . . . . -71.7 -30.41 66.26 Favored Glycine 0 CA--C 1.523 0.536 0 N-CA-C 111.231 -0.747 . . . . 0.0 111.231 175.711 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 172' ' ' LEU . . . . . 0.469 HD13 HD21 ' A' ' 34' ' ' LEU . 58.6 mt -73.01 -25.49 60.99 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.813 0.339 . . . . 0.0 111.211 176.57 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 173' ' ' ARG . . . . . . . . . . . . . 42.6 ttm180 -72.09 -37.83 69.49 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.22 164.668 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -77.64 -14.13 59.72 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.21 -176.81 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 28.8 p -63.64 -22.89 67.14 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.215 178.087 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 176' ' ' GLN . . . . . . . . . . . . . 85.7 mt-30 -113.52 -42.78 3.41 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.251 177.297 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 177' ' ' THR . . . . . . . . . . . . . 92.9 m -64.56 -47.0 80.38 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.18 179.353 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 178' ' ' GLU . . . . . . . . . . . . . 68.6 mm-40 -100.18 165.17 11.63 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.16 178.734 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 179' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -66.8 107.16 2.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.219 -178.895 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 180' ' ' LEU . . . . . . . . . . . . . 56.5 tp . . . . . 0 C--N 1.328 -0.339 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.22 169.845 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 95.3 mt-10 . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.734 0.302 . . . . 0.0 111.248 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . 0.437 ' HB2' ' HA ' ' A' ' 39' ' ' PHE . 75.0 mmtt -90.14 135.58 33.57 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.19 173.407 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -124.46 134.55 53.02 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.155 -168.449 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 82.0 mt -86.24 144.84 27.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.167 167.138 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 83.9 t80 -114.79 96.22 5.62 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.198 174.387 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 96.4 t -97.61 121.21 47.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.188 -178.064 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 97.2 m -109.3 121.62 45.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.199 170.461 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 80.1 m -103.08 127.62 50.27 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.231 -179.034 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -72.74 162.83 54.8 Favored Glycine 0 CA--C 1.523 0.584 0 N-CA-C 111.19 -0.764 . . . . 0.0 111.19 177.849 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -95.2 -2.84 48.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.789 0.328 . . . . 0.0 111.199 -178.207 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 90.2 m -57.86 -40.4 80.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.156 179.5 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.409 ' HB ' ' HD2' ' A' ' 17' ' ' PRO . 34.7 m -121.99 163.38 31.85 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.209 177.462 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.409 ' HD2' ' HB ' ' A' ' 16' ' ' VAL . 80.1 Cg_exo -52.58 139.19 57.57 Favored 'Trans proline' 0 N--CA 1.458 -0.584 0 C-N-CA 121.706 1.604 . . . . 0.0 111.2 -179.62 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . 0.591 ' N ' ' CD ' ' A' ' 19' ' ' PRO . 46.1 m-85 -72.76 -38.75 5.11 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.219 -179.512 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . 0.591 ' CD ' ' N ' ' A' ' 18' ' ' PHE . 83.4 Cg_exo -51.25 -34.48 49.3 Favored 'Trans proline' 0 N--CA 1.458 -0.578 0 C-N-CA 121.682 1.588 . . . . 0.0 111.166 176.621 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 95.1 mttt -69.53 -32.52 71.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.22 176.769 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.409 HD22 ' HB3' ' A' ' 116' ' ' HIS . 88.5 mt -88.57 -4.9 58.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.209 -171.655 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 33.9 m -115.01 -2.79 10.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.199 176.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 79.0 p -72.78 -17.19 61.61 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.227 176.04 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 71.6 m -86.32 -18.17 32.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.181 -177.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 33.3 m -107.24 -1.73 9.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.224 -175.24 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 96.6 mt -112.4 15.18 20.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.213 -179.655 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 60.3 p -78.24 154.94 30.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.242 173.877 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -65.89 -36.48 83.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.22 179.072 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -70.45 -40.24 73.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.224 -179.446 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.402 ' CE2' HD22 ' A' ' 34' ' ' LEU . 67.9 t80 -62.78 -51.66 66.23 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.163 177.944 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 86.1 m -64.98 -32.41 74.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.208 -174.929 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 29.0 tt0 -71.51 -60.06 2.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.191 176.497 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 70.9 mm-40 -63.71 -32.89 74.52 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.202 -172.713 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.402 HD22 ' CE2' ' A' ' 30' ' ' PHE . 54.0 tp -57.86 -47.86 81.5 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.144 -179.458 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 91.0 mt -64.72 -32.61 58.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.17 177.36 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 99.7 mm-40 -68.74 -18.86 64.3 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.187 174.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 18.1 m-30 -88.7 -7.2 56.73 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.211 176.03 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 100.52 1.41 55.48 Favored Glycine 0 CA--C 1.523 0.56 0 N-CA-C 111.252 -0.739 . . . . 0.0 111.252 177.578 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.437 ' HA ' ' HB2' ' A' ' 6' ' ' LYS . 62.8 m-85 -97.5 128.11 44.0 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.766 0.317 . . . . 0.0 111.197 -177.366 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 27.5 m -131.85 -2.88 1.91 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.208 -173.727 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 28.2 ttm180 -124.94 139.97 53.35 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.183 177.639 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 57.8 tp -133.44 115.4 14.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.248 -179.807 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.429 HG23 ' CD1' ' A' ' 96' ' ' PHE . 98.2 mt -104.95 118.56 52.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.203 178.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 79.6 mt -118.56 115.94 49.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.178 -176.823 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 55.9 tp60 -78.41 129.73 35.28 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.243 173.828 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 77.6 m-85 -113.9 158.88 20.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.235 177.575 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -77.19 -62.12 2.51 Favored Glycine 0 CA--C 1.523 0.564 0 N-CA-C 111.199 -0.76 . . . . 0.0 111.199 -176.733 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 66.6 ttt180 -159.91 127.59 4.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.749 0.309 . . . . 0.0 111.208 -176.772 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 61.4 t30 61.02 57.43 2.53 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.185 171.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 87.5 m-85 -129.33 -36.69 1.69 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.202 173.501 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . 0.443 ' O ' ' HB2' ' A' ' 82' ' ' ARG . 52.1 p -85.08 5.73 28.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.156 -179.714 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 69.5 m -55.78 -52.51 63.71 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.201 169.553 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 25.5 pt-20 -166.42 154.22 10.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.207 173.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 71.3 m-85 -122.78 25.02 8.87 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.223 174.904 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 25.3 tp10 -42.2 -45.15 4.0 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.174 -174.81 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 82.7 t60 -56.36 -55.08 37.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.183 178.924 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 97.1 mt -63.11 -33.02 74.55 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.201 -177.402 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.463 HG21 ' HB2' ' A' ' 65' ' ' ARG . 73.5 t -67.99 -36.99 77.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.239 -176.787 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 85.1 mt-30 -75.22 -18.64 60.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.234 179.522 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 76.3 mm-40 -80.07 -5.23 55.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.185 179.717 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 89.4 mmt-85 -125.15 -28.64 3.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.214 175.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 85.14 38.24 9.32 Favored Glycine 0 CA--C 1.523 0.562 0 N-CA-C 111.19 -0.764 . . . . 0.0 111.19 -173.753 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -95.31 -155.72 31.46 Favored Glycine 0 CA--C 1.524 0.608 0 N-CA-C 111.162 -0.775 . . . . 0.0 111.162 -175.176 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 62.9 tt0 -130.48 141.44 50.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.808 0.337 . . . . 0.0 111.157 -179.213 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . 0.463 ' HB2' HG21 ' A' ' 58' ' ' VAL . 69.2 ttp85 -119.93 121.92 40.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.157 -173.392 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 78.0 mm-40 -135.73 168.18 19.77 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.227 -175.823 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 70.1 m -97.74 136.93 37.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.183 -177.798 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 80.5 mm-40 -120.01 103.62 9.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.192 168.79 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 93.9 mttt -99.98 80.39 2.3 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.179 177.353 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 73.4 mt -99.07 126.64 37.44 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.218 -174.768 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 79.2 Cg_exo -50.81 128.31 23.92 Favored 'Trans proline' 0 N--CA 1.458 -0.614 0 C-N-CA 121.679 1.586 . . . . 0.0 111.204 178.299 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 96.8 mt -78.21 -44.01 27.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.165 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 99.2 m-20 -75.79 -10.47 59.45 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.162 -171.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 63.2 tt0 -105.01 -49.96 3.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.207 -178.522 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 91.0 m-85 -103.33 -17.76 15.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.238 -173.402 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 79.7 18.93 71.95 Favored Glycine 0 CA--C 1.523 0.535 0 N-CA-C 111.193 -0.763 . . . . 0.0 111.193 -178.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 73.9 m -118.69 152.69 35.65 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.767 0.317 . . . . 0.0 111.238 -179.673 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -63.87 142.35 46.38 Favored Glycine 0 CA--C 1.523 0.59 0 N-CA-C 111.199 -0.76 . . . . 0.0 111.199 -172.926 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 56.5 p-10 -93.25 6.74 47.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.763 0.316 . . . . 0.0 111.206 177.449 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 54.3 p -124.97 41.74 3.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.212 174.739 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -86.5 145.53 26.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.184 -171.256 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . 0.443 ' HB2' ' O ' ' A' ' 51' ' ' SER . 20.2 tpp180 -110.03 115.27 29.47 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.221 -176.613 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 64.7 tt0 -83.02 118.32 23.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.166 -176.738 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -110.02 99.45 8.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.161 177.55 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 91.4 t -77.08 124.0 34.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.186 -175.26 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 83.8 mt -125.79 161.61 26.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.168 178.494 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 92.8 mmm 66.01 30.02 9.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.231 173.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 96.5 m-20 65.08 35.6 7.88 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.21 176.27 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 88.37 29.14 20.38 Favored Glycine 0 CA--C 1.524 0.601 0 N-CA-C 111.206 -0.758 . . . . 0.0 111.206 176.206 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -115.53 -20.25 10.28 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.785 0.326 . . . . 0.0 111.233 179.53 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.415 ' HG ' HG23 ' A' ' 93' ' ' VAL . 64.6 tp -121.72 120.08 33.61 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.183 177.601 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 97.1 mttt -101.78 91.68 4.5 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.173 -178.056 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . 0.415 HG23 ' HG ' ' A' ' 91' ' ' LEU . 84.3 t -95.54 105.89 17.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.207 176.032 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 67.6 mt -115.03 122.98 70.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.206 -175.148 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -85.44 133.26 11.66 Favored Glycine 0 CA--C 1.524 0.597 0 N-CA-C 111.194 -0.762 . . . . 0.0 111.194 179.865 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' PHE . . . . . 0.429 ' CD1' HG23 ' A' ' 43' ' ' ILE . 96.8 m-85 -122.44 101.61 7.6 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.776 0.322 . . . . 0.0 111.2 -178.824 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 28.5 t70 -97.73 92.05 5.68 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.202 168.34 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 12.6 p90 -152.02 179.92 8.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.211 -179.824 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 82.1 p -61.23 -176.87 0.08 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.177 -176.055 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 47.0 p -91.52 35.39 0.95 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.203 -173.655 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 75.5 mmtt -80.68 8.2 8.53 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.172 169.295 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 25.9 ptt? -66.56 -10.06 41.43 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.171 174.666 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 88.5 mt-30 -59.93 -22.53 62.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.225 174.332 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 71.4 m -76.87 -37.05 56.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.24 171.918 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 96.6 mt -66.89 -43.09 89.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.187 -177.839 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 17.7 tt -64.73 -18.02 22.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.205 -173.199 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 79.3 ttt180 -98.7 -40.08 8.35 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.218 176.648 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 96.3 m-20 -87.65 -54.12 4.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.212 -167.854 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 109' ' ' TYR . . . . . . . . . . . . . 90.9 m-85 -95.59 -36.15 11.36 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.214 -171.117 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 47.3 t -60.43 129.02 39.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.173 -176.377 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 53.3 m-20 -105.56 -30.53 9.46 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.234 169.46 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 10.0 tt -139.05 132.12 29.62 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.196 168.389 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 90.8 t -91.96 139.06 18.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.189 -174.323 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 69.4 mt -131.81 134.29 60.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.221 179.352 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 32.3 t -122.24 113.38 19.38 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.223 -178.296 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 116' ' ' HIS . . . . . 0.409 ' HB3' HD22 ' A' ' 21' ' ' LEU . 36.1 m170 -100.07 127.44 46.3 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.2 177.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . 59.36 53.04 5.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.19 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 170.13 157.99 13.29 Favored Glycine 0 CA--C 1.523 0.546 0 N-CA-C 111.169 -0.772 . . . . 0.0 111.169 175.113 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 72.3 p -128.04 1.2 5.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.766 0.317 . . . . 0.0 111.143 -176.686 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -68.97 -17.61 71.81 Favored Glycine 0 CA--C 1.523 0.564 0 N-CA-C 111.212 -0.755 . . . . 0.0 111.212 -178.456 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 60.2 m -65.25 -23.08 66.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.821 0.343 . . . . 0.0 111.203 179.751 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 122' ' ' ILE . . . . . . . . . . . . . 96.6 mt -51.96 -38.6 23.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.192 178.649 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 93.8 mt -65.16 -32.27 73.88 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.196 -177.319 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 52.6 m-20 -97.27 -34.67 11.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.213 -168.38 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 32.9 t -69.45 -41.68 75.92 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.231 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 39.7 mt -80.81 -26.91 36.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.232 -170.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 52.9 ptt85 -74.8 -11.72 60.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.183 174.312 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 128' ' ' LEU . . . . . 0.427 ' O ' ' HB2' ' A' ' 129' ' ' ASN . 95.2 mt -95.25 -3.75 47.0 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.232 170.039 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 129' ' ' ASN . . . . . 0.427 ' HB2' ' O ' ' A' ' 128' ' ' LEU . 88.9 m-20 64.74 34.66 9.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.241 -174.307 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 95.8 mttt -116.43 148.14 41.11 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.207 -177.922 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 46.6 Cg_endo -69.05 147.48 67.57 Favored 'Trans proline' 0 N--CA 1.459 -0.542 0 C-N-CA 121.688 1.592 . . . . 0.0 111.187 -179.29 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 132' ' ' LEU . . . . . 0.423 ' HB3' HG22 ' A' ' 158' ' ' VAL . 43.4 tp -128.25 128.38 44.56 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.169 178.891 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 89.9 mt -107.87 122.85 62.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.193 169.89 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 89.5 t -109.14 128.07 65.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.171 -177.28 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 135' ' ' CYS . . . . . . . . . . . . . 53.4 t -105.09 122.9 46.85 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.211 -179.013 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 69.9 t -66.94 130.68 32.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.17 179.526 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 46.0 p-10 . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.154 177.646 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.814 0.34 . . . . 0.0 111.21 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 93.6 m-20 -69.95 -40.26 75.57 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.213 -176.446 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 151' ' ' LYS . . . . . . . . . . . . . 75.9 mmtt -115.01 -59.96 1.95 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.24 -169.453 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 152' ' ' PHE . . . . . 0.47 ' HB3' ' HB ' ' A' ' 158' ' ' VAL . 37.9 m-85 -74.99 -31.18 61.37 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.202 -163.386 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 153' ' ' VAL . . . . . . . . . . . . . 55.0 t -70.1 -39.96 77.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.182 175.04 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -69.85 -31.0 68.62 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.158 176.311 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 155' ' ' LEU . . . . . . . . . . . . . 96.0 mt -79.49 -28.69 41.45 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.236 174.538 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . 80.82 46.54 7.14 Favored Glycine 0 CA--C 1.523 0.584 0 N-CA-C 111.199 -0.76 . . . . 0.0 111.199 174.241 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 157' ' ' TYR . . . . . . . . . . . . . 81.4 m-85 -125.47 -44.95 1.82 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.814 0.34 . . . . 0.0 111.203 177.045 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 158' ' ' VAL . . . . . 0.47 ' HB ' ' HB3' ' A' ' 152' ' ' PHE . 48.1 t -125.06 129.2 73.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.206 178.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 159' ' ' TRP . . . . . . . . . . . . . 25.9 m-90 -119.97 129.93 54.53 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.224 -178.15 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 160' ' ' SER . . . . . . . . . . . . . 97.4 p -86.94 151.12 23.58 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.216 -179.656 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 161' ' ' CYS . . . . . 0.402 ' SG ' ' HA3' ' A' ' 171' ' ' GLY . 92.1 m -129.99 147.98 51.8 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.206 175.922 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -65.7 158.29 75.23 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.238 177.832 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 163' ' ' PRO . . . . . . . . . . . . . 93.2 Cg_endo -74.96 65.77 6.01 Favored 'Trans proline' 0 N--CA 1.458 -0.608 0 C-N-CA 121.709 1.606 . . . . 0.0 111.23 179.246 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 164' ' ' THR . . . . . . . . . . . . . 13.1 t -160.29 -179.3 7.6 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.238 178.048 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 165' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 -73.74 -40.69 63.33 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.21 -172.868 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 166' ' ' THR . . . . . . . . . . . . . 81.4 p -81.39 -15.03 56.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.185 -173.818 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 167' ' ' GLY . . . . . . . . . . . . . . . -66.92 -47.92 63.47 Favored Glycine 0 CA--C 1.524 0.601 0 N-CA-C 111.153 -0.779 . . . . 0.0 111.153 177.536 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 168' ' ' LEU . . . . . . . . . . . . . 59.7 tp -64.32 -39.88 94.79 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.785 0.326 . . . . 0.0 111.155 176.857 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 96.0 mt -61.28 -43.83 97.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.255 177.744 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 170' ' ' ALA . . . . . . . . . . . . . . . -65.51 -33.01 74.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.222 175.304 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 171' ' ' GLY . . . . . 0.402 ' HA3' ' SG ' ' A' ' 161' ' ' CYS . . . -62.39 -37.04 93.98 Favored Glycine 0 CA--C 1.523 0.564 0 N-CA-C 111.223 -0.751 . . . . 0.0 111.223 178.641 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 83.1 mt -61.05 -35.04 75.86 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.78 0.324 . . . . 0.0 111.166 177.316 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 173' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -77.38 -32.82 55.15 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.207 174.533 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -64.96 -31.18 72.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.17 -179.224 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 54.0 p -64.28 -20.82 66.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.176 179.508 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 176' ' ' GLN . . . . . . . . . . . . . 92.7 mm-40 -100.96 6.26 43.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.219 -176.626 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 177' ' ' THR . . . . . . . . . . . . . 89.4 m -70.59 -45.45 65.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.248 -179.038 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 178' ' ' GLU . . . . . . . . . . . . . 94.3 mt-10 -123.97 149.95 45.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.19 -178.531 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 179' ' ' LYS . . . . . . . . . . . . . 87.4 tttt -76.4 110.05 10.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.191 -179.422 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 180' ' ' LEU . . . . . 0.472 ' C ' HD23 ' A' ' 180' ' ' LEU . 7.1 tt . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.183 179.894 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.78 0.324 . . . . 0.0 111.216 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 91.4 mttt -83.05 156.09 23.54 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.232 -176.897 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . 0.434 ' HB3' ' HA ' ' A' ' 110' ' ' SER . . . -143.96 131.73 21.38 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.193 -172.715 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 91.4 mt -94.77 147.86 22.89 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.195 177.376 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 40.0 t80 -123.04 118.1 26.98 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.129 168.338 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 94.2 t -110.08 125.2 67.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.256 -168.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 96.9 m -125.01 117.25 23.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.189 171.571 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 72.4 m -82.78 168.68 16.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.244 -175.144 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -120.92 -160.39 11.07 Favored Glycine 0 CA--C 1.522 0.516 0 N-CA-C 111.2 -0.76 . . . . 0.0 111.2 -176.78 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -90.26 -48.14 7.34 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.745 0.307 . . . . 0.0 111.151 -176.506 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 80.0 m -69.88 -40.41 75.7 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.217 178.909 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 42.7 t -121.76 83.03 42.27 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.253 172.419 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.47 ' HG2' ' HD2' ' A' ' 19' ' ' PRO . 91.1 Cg_endo -81.04 -132.27 0.01 OUTLIER 'Trans proline' 0 N--CA 1.458 -0.587 0 C-N-CA 121.707 1.605 . . . . 0.0 111.16 -176.904 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . 0.572 ' HB2' ' HD3' ' A' ' 19' ' ' PRO . 93.6 m-85 -96.27 -45.9 0.25 Allowed Pre-proline 0 C--N 1.328 -0.329 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.195 -164.366 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . 0.572 ' HD3' ' HB2' ' A' ' 18' ' ' PHE . 83.0 Cg_exo -50.22 -27.9 18.76 Favored 'Trans proline' 0 N--CA 1.458 -0.608 0 C-N-CA 121.699 1.599 . . . . 0.0 111.221 175.628 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 90.9 mttt -95.01 -60.02 1.77 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.221 178.846 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 25.3 tp -70.78 -37.24 73.31 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.214 -166.643 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 76.2 t -71.88 -38.94 66.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.267 -178.837 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 94.9 p -68.45 -23.02 64.56 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.213 178.613 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 99.4 m -86.88 -39.49 15.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.197 177.626 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -74.62 -20.07 16.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.203 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 89.0 mt -108.38 20.82 18.14 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.221 174.861 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 58.8 p -75.08 159.97 31.05 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.212 177.345 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 99.4 m-20 -65.11 -41.54 94.83 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.229 177.818 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 87.9 tt0 -68.51 -44.66 74.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.188 -177.625 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 68.5 t80 -61.82 -51.01 69.99 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.234 179.693 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 80.7 m -68.73 -29.24 67.62 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.205 -176.065 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 66.9 tt0 -54.61 -45.42 73.65 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.154 177.901 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 94.0 mt-10 -88.22 -27.89 21.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.215 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 42.4 tp -48.88 -48.79 41.89 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.187 177.883 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 8.3 tp -69.26 -20.05 24.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.216 179.838 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 65.2 mt-30 -90.29 -4.99 56.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.185 178.512 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 38.4 m-85 -99.67 -4.31 31.13 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.19 171.539 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 97.76 11.88 48.96 Favored Glycine 0 CA--C 1.523 0.592 0 N-CA-C 111.15 -0.78 . . . . 0.0 111.15 172.719 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 74.6 m-85 -93.16 125.84 37.96 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.82 0.343 . . . . 0.0 111.249 -177.763 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 35.8 m -125.13 -11.66 5.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.174 -175.148 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 82.4 mtt85 -122.97 142.46 50.81 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.201 177.596 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 61.9 tp -141.19 114.91 8.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.234 178.904 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 90.5 mt -103.8 125.02 58.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.248 -177.121 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 41.4 mm -110.61 116.91 53.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.222 -177.068 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 50.9 tt0 -91.73 102.06 14.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.274 179.536 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . 0.459 ' HA ' ' CE2' ' A' ' 18' ' ' PHE . 78.1 m-85 -84.22 148.8 26.53 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.173 178.112 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -84.84 -165.07 39.36 Favored Glycine 0 CA--C 1.524 0.61 0 N-CA-C 111.156 -0.778 . . . . 0.0 111.156 -174.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -79.06 -20.95 47.56 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.739 0.304 . . . . 0.0 111.206 -176.845 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 73.3 m-80 -102.1 8.41 40.77 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.203 179.106 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 97.0 m-85 -129.04 141.39 51.25 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.204 -177.801 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 84.8 p -109.42 163.68 13.19 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.187 179.518 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 19.5 p -85.08 62.0 7.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.137 179.514 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 53.1 mt-10 -112.57 118.93 36.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.193 -179.371 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 93.6 m-85 -109.95 15.22 22.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.163 177.578 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -60.41 -30.03 69.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.248 -176.236 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 86.4 t60 -61.41 -40.52 94.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.16 175.719 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 93.6 mt -88.04 -7.78 56.52 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.224 -172.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 55.8 t -60.61 -30.09 46.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.16 171.886 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 98.7 mm-40 -106.58 -30.0 9.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.193 178.335 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 75.1 mm-40 -89.13 -9.76 49.79 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.151 -175.03 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 90.7 mmt-85 -128.29 -42.47 1.51 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.215 173.375 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 109.23 19.33 8.53 Favored Glycine 0 CA--C 1.523 0.56 0 N-CA-C 111.208 -0.757 . . . . 0.0 111.208 173.196 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -87.86 174.35 44.22 Favored Glycine 0 CA--C 1.523 0.533 0 N-CA-C 111.234 -0.746 . . . . 0.0 111.234 -179.113 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 96.3 mm-40 -110.05 159.94 16.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.831 0.348 . . . . 0.0 111.217 175.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 79.0 ttt-85 -135.42 125.22 25.5 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.21 -174.422 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -146.67 139.86 25.55 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.218 176.515 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 95.6 p -74.66 159.01 32.63 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.24 -172.194 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 54.1 mm-40 -140.02 121.6 15.22 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.185 177.339 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -107.7 99.0 8.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.205 174.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.402 ' HB ' ' HB3' ' A' ' 77' ' ' CYS . 80.3 mt -114.83 134.31 22.46 Favored Pre-proline 0 C--N 1.328 -0.363 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.221 -164.627 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 56.8 Cg_endo -72.81 167.64 26.7 Favored 'Trans proline' 0 N--CA 1.458 -0.603 0 C-N-CA 121.719 1.612 . . . . 0.0 111.248 -176.366 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 50.9 pt -102.92 -7.19 9.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.16 178.627 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 67.4 m-20 -95.06 -29.46 14.58 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.142 -177.038 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 99.6 mm-40 -100.67 -30.03 11.97 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.199 -177.702 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 82.4 m-85 -124.87 -58.95 1.45 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.161 -176.403 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 113.03 42.59 0.91 Allowed Glycine 0 CA--C 1.524 0.649 0 N-CA-C 111.151 -0.78 . . . . 0.0 111.151 -179.088 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' CYS . . . . . 0.402 ' HB3' ' HB ' ' A' ' 70' ' ' ILE . 10.9 t -136.16 179.98 6.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.771 0.319 . . . . 0.0 111.194 -177.057 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -110.19 -159.85 17.6 Favored Glycine 0 CA--C 1.523 0.552 0 N-CA-C 111.202 -0.759 . . . . 0.0 111.202 -172.804 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 58.9 p-10 -114.13 5.36 15.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.814 0.34 . . . . 0.0 111.241 -178.859 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 59.7 p -93.89 -2.38 53.44 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.111 172.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -58.66 129.45 42.14 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.265 177.27 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 90.0 mmt-85 -128.79 120.72 26.88 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.181 176.914 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 67.0 tt0 -81.51 126.91 32.25 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.241 -176.467 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' TYR . . . . . 0.433 ' HB3' ' HB ' ' A' ' 93' ' ' VAL . 68.9 t80 -125.63 128.71 48.3 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.178 177.04 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 84.3 t -98.55 123.44 51.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.219 -166.68 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 93.4 mt -130.0 162.81 27.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.291 170.618 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 88.3 mmm 61.58 30.01 18.49 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.177 176.202 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 96.5 m-20 65.05 34.41 8.82 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.143 177.222 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 95.36 -3.46 66.21 Favored Glycine 0 CA--C 1.522 0.517 0 N-CA-C 111.183 -0.767 . . . . 0.0 111.183 175.781 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -80.79 -20.82 41.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.767 0.318 . . . . 0.0 111.228 -179.477 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 63.5 tp -116.91 109.94 17.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.208 173.659 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -93.42 109.95 21.51 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.229 177.186 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . 0.433 ' HB ' ' HB3' ' A' ' 84' ' ' TYR . 62.2 t -99.65 119.11 47.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.223 -179.715 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 75.3 mt -112.51 105.98 19.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.168 -178.557 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -93.91 142.49 16.03 Favored Glycine 0 CA--C 1.523 0.559 0 N-CA-C 111.164 -0.774 . . . . 0.0 111.164 175.658 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 27.5 p90 -148.37 161.55 41.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.854 0.359 . . . . 0.0 111.211 178.738 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' ASP . . . . . 0.649 ' O ' ' C ' ' A' ' 98' ' ' PHE . 64.9 t0 -100.04 106.3 18.04 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.263 -179.89 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . 0.649 ' C ' ' O ' ' A' ' 97' ' ' ASP . 82.9 t80 -5.09 99.17 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.149 -175.421 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 66.4 m -120.72 148.45 43.93 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.148 177.144 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 81.0 p -82.95 -18.8 38.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.157 171.638 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -71.05 -39.88 71.99 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.204 174.186 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 25.9 ttt -90.02 83.84 6.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.214 176.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 87.5 mm-40 -134.45 -35.04 0.92 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.239 175.749 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 47.5 t -70.1 -49.37 51.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.169 -178.913 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 16.9 tt -60.61 -27.22 40.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.228 -176.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 96.7 mt -71.19 -49.71 46.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.157 176.041 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 107' ' ' ARG . . . . . 0.419 ' HG2' ' HG ' ' A' ' 128' ' ' LEU . 96.6 mtt180 -64.97 -29.94 70.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.185 175.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 99.4 m-20 -75.76 -37.13 59.57 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.151 -175.013 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 109' ' ' TYR . . . . . . . . . . . . . 14.2 m-30 -100.0 -50.04 4.12 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.177 -172.533 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 110' ' ' SER . . . . . 0.434 ' HA ' ' HB3' ' A' ' 7' ' ' ALA . 48.2 t -64.99 134.26 53.51 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.224 -171.541 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 54.3 p-10 -130.0 0.98 4.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.128 178.171 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 67.4 tp -147.29 124.95 11.78 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.179 167.719 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 58.2 t -104.61 132.27 51.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.225 -173.427 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 114' ' ' ILE . . . . . 0.439 HG12 ' HB ' ' A' ' 133' ' ' ILE . 82.1 mt -120.77 128.73 76.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.194 176.812 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 91.3 p -143.97 155.0 43.87 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.175 -178.256 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 84.0 t60 -83.76 147.53 27.55 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.158 169.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -69.86 84.93 0.49 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.236 -177.318 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -133.36 173.18 21.22 Favored Glycine 0 CA--C 1.523 0.539 0 N-CA-C 111.271 -0.732 . . . . 0.0 111.271 174.648 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 96.8 m -62.97 -57.73 9.75 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.727 0.299 . . . . 0.0 111.223 -177.071 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -85.03 -25.02 42.2 Favored Glycine 0 CA--C 1.523 0.56 0 N-CA-C 111.207 -0.757 . . . . 0.0 111.207 -178.773 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 73.2 m -64.91 -49.57 69.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.769 0.319 . . . . 0.0 111.15 -178.285 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 122' ' ' ILE . . . . . . . . . . . . . 94.7 mt -64.75 -45.83 93.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.212 176.094 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 36.2 tp -61.54 -38.09 86.17 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.244 -175.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 93.6 m-20 -70.16 -34.99 73.71 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.191 177.381 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 97.4 p -76.86 -13.66 59.97 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.198 178.11 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 91.5 mt -92.14 10.02 31.09 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.192 173.928 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 76.1 mtp85 -74.38 -14.76 60.91 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.155 171.078 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 128' ' ' LEU . . . . . 0.419 ' HG ' ' HG2' ' A' ' 107' ' ' ARG . 8.3 mp -108.42 155.11 20.94 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.192 172.82 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 11.4 m120 -93.57 8.06 42.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.177 177.231 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 30.2 mmtp -80.96 152.28 71.46 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.212 -178.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_exo -50.6 148.1 16.22 Favored 'Trans proline' 0 N--CA 1.459 -0.55 0 C-N-CA 121.731 1.621 . . . . 0.0 111.164 178.461 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 132' ' ' LEU . . . . . 0.474 ' O ' ' HA ' ' A' ' 158' ' ' VAL . 56.7 tp -125.04 125.58 44.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.233 -166.47 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 133' ' ' ILE . . . . . 0.439 ' HB ' HG12 ' A' ' 114' ' ' ILE . 91.7 mt -95.3 124.52 47.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.18 166.815 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 89.5 t -115.49 120.59 65.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.234 -179.762 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 135' ' ' CYS . . . . . 0.535 ' SG ' ' HA ' ' A' ' 163' ' ' PRO . 46.6 t -87.24 110.72 20.38 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.174 171.508 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 27.5 m -63.37 159.76 3.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.144 -168.052 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.16 -175.605 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.777 0.322 . . . . 0.0 111.191 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 95.5 m-20 -69.93 -31.09 68.66 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.207 175.354 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 151' ' ' LYS . . . . . . . . . . . . . 65.5 mmtt -78.58 -30.08 46.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.198 179.63 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 152' ' ' PHE . . . . . . . . . . . . . 13.4 m-30 -55.83 -43.84 77.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.224 175.481 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 153' ' ' VAL . . . . . . . . . . . . . 96.2 t -88.05 -40.21 13.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.237 -177.35 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 42.8 tt0 -53.94 -46.99 71.7 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.17 176.911 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 155' ' ' LEU . . . . . . . . . . . . . 91.2 mt -65.19 -36.83 85.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.208 173.315 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . 79.73 36.65 25.21 Favored Glycine 0 CA--C 1.523 0.581 0 N-CA-C 111.15 -0.78 . . . . 0.0 111.15 175.319 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 157' ' ' TYR . . . . . . . . . . . . . 22.3 m-85 -126.02 -25.0 3.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.799 0.333 . . . . 0.0 111.215 179.467 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 158' ' ' VAL . . . . . 0.474 ' HA ' ' O ' ' A' ' 132' ' ' LEU . 64.4 t -123.3 140.03 48.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.191 -166.051 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 159' ' ' TRP . . . . . . . . . . . . . 31.3 m-90 -97.69 144.99 26.77 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.205 171.188 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 160' ' ' SER . . . . . . . . . . . . . 41.7 t -105.38 115.33 30.07 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.165 179.56 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 161' ' ' CYS . . . . . . . . . . . . . 71.7 m -117.97 159.22 23.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.151 179.858 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -85.47 155.74 59.53 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.181 -179.648 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 163' ' ' PRO . . . . . 0.535 ' HA ' ' SG ' ' A' ' 135' ' ' CYS . 93.7 Cg_endo -77.73 68.13 7.75 Favored 'Trans proline' 0 N--CA 1.458 -0.6 0 C-N-CA 121.636 1.557 . . . . 0.0 111.248 -179.405 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 164' ' ' THR . . . . . . . . . . . . . 13.6 t -160.56 178.93 9.02 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.199 175.818 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 165' ' ' GLU . . . . . . . . . . . . . 89.2 tt0 -64.97 -43.93 91.0 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.202 -174.652 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 166' ' ' THR . . . . . . . . . . . . . 80.4 p -73.62 -20.07 60.69 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.166 -177.344 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 167' ' ' GLY . . . . . . . . . . . . . . . -71.34 -43.22 55.19 Favored Glycine 0 CA--C 1.523 0.582 0 N-CA-C 111.309 -0.717 . . . . 0.0 111.309 174.854 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 168' ' ' LEU . . . . . . . . . . . . . 69.2 tp -60.38 -46.96 88.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.761 0.315 . . . . 0.0 111.214 172.901 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 97.8 mt -60.78 -39.94 83.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.216 175.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 170' ' ' ALA . . . . . . . . . . . . . . . -71.43 -16.24 62.38 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.218 -178.738 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 171' ' ' GLY . . . . . . . . . . . . . . . -62.33 -47.95 85.9 Favored Glycine 0 CA--C 1.523 0.568 0 N-CA-C 111.231 -0.748 . . . . 0.0 111.231 176.873 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 93.1 mt -70.16 -33.54 71.89 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.777 0.323 . . . . 0.0 111.22 176.456 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 173' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -65.2 -34.45 78.4 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.238 174.051 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -70.84 -41.38 71.57 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.266 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 87.2 p -68.46 -29.87 68.61 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.191 176.355 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 176' ' ' GLN . . . . . . . . . . . . . 71.1 tp60 -71.08 -40.54 71.52 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.168 175.555 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 177' ' ' THR . . . . . . . . . . . . . 89.0 m -70.49 -44.71 67.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.213 179.084 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 178' ' ' GLU . . . . . . . . . . . . . 89.2 tt0 -142.73 109.98 5.65 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.222 -178.047 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 179' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -80.23 140.78 36.1 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.216 179.228 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 180' ' ' LEU . . . . . . . . . . . . . 94.4 mt . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.23 -177.862 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 93.7 mt-10 . . . . . 0 N--CA 1.458 -0.07 0 CA-C-O 120.789 0.328 . . . . 0.0 111.2 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 85.9 mttt -94.62 154.92 17.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.238 168.713 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -128.39 137.63 51.97 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.14 -172.829 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 65.4 mt -103.01 147.6 26.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.234 170.365 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 1.6 t80 -120.02 93.0 3.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.209 172.794 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.404 HG22 ' HB ' ' A' ' 114' ' ' ILE . 64.4 t -94.0 115.32 32.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.159 -179.341 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 52.3 m -107.43 126.02 51.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.148 177.691 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 60.3 m -107.04 162.92 13.42 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.129 177.338 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -85.04 -171.63 48.44 Favored Glycine 0 CA--C 1.523 0.538 0 N-CA-C 111.267 -0.733 . . . . 0.0 111.267 -178.248 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -107.66 18.62 21.2 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.755 0.312 . . . . 0.0 111.192 179.507 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 40.4 p -124.99 -69.54 0.79 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.219 -174.359 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 82.4 t -58.64 130.16 85.09 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.144 -175.668 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 76.0 Cg_exo -51.17 130.49 32.32 Favored 'Trans proline' 0 N--CA 1.458 -0.596 0 C-N-CA 121.734 1.623 . . . . 0.0 111.125 178.456 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . 0.638 ' N ' ' CD ' ' A' ' 19' ' ' PRO . 10.8 m-30 -70.11 -35.98 5.68 Favored Pre-proline 0 C--N 1.33 -0.259 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.193 176.834 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . 0.638 ' CD ' ' N ' ' A' ' 18' ' ' PHE . 72.0 Cg_exo -53.86 -16.83 9.36 Favored 'Trans proline' 0 N--CA 1.458 -0.583 0 C-N-CA 121.695 1.597 . . . . 0.0 111.206 175.138 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -94.46 -31.55 13.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.218 173.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 94.5 mt -95.97 -62.64 1.25 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.288 -171.721 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 5.7 m -79.29 -15.92 13.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.184 -169.013 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 82.9 p -60.97 -28.98 69.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.166 174.485 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 71.8 m -87.97 -30.08 20.29 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.155 175.673 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 78.5 t -65.31 -26.6 39.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.211 171.564 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 86.2 mt -104.99 27.27 8.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.2 175.805 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 4.9 t -65.45 147.56 53.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.219 179.748 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 68.6 m-20 -68.55 -22.05 64.51 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.165 175.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -93.03 -35.39 13.28 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.24 178.551 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 91.5 t80 -58.53 -49.69 76.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.209 173.453 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 96.6 m -64.91 -33.01 75.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.198 -176.038 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 65.7 tt0 -63.16 -58.03 8.58 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.226 176.71 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 69.6 mm-40 -62.49 -33.65 75.3 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.173 177.615 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 37.8 tp -57.25 -48.35 79.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.183 179.308 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 94.0 mt -60.93 -38.42 79.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.196 176.527 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 99.5 mm-40 -66.94 -19.75 65.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.253 178.892 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 23.2 m-30 -87.32 -10.43 52.27 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.215 178.401 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 99.33 6.04 55.55 Favored Glycine 0 CA--C 1.523 0.577 0 N-CA-C 111.15 -0.78 . . . . 0.0 111.15 179.446 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 72.3 m-85 -98.15 123.8 42.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.863 0.363 . . . . 0.0 111.15 -176.258 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 35.7 m -132.89 -6.82 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.17 -178.858 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 94.5 mtt-85 -110.08 98.88 8.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.181 177.134 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 58.0 tp -101.12 106.84 18.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.228 -176.647 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 96.8 mt -96.38 132.26 41.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.181 175.89 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 78.0 mt -128.6 125.27 63.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.203 174.882 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 65.7 tt0 -94.35 120.77 35.09 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.175 178.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 42.5 m-85 -75.04 162.06 28.89 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.183 -179.271 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -93.8 178.56 37.9 Favored Glycine 0 CA--C 1.525 0.658 0 N-CA-C 111.144 -0.782 . . . . 0.0 111.144 179.857 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 79.8 ttt180 -68.87 -33.57 74.01 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.777 0.322 . . . . 0.0 111.191 -177.378 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 73.0 m-80 -100.86 17.17 22.86 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.157 -172.385 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 95.5 m-85 -129.62 139.98 51.29 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.211 -177.845 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 97.8 p -78.9 152.73 31.0 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.195 179.648 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 59.2 p -84.96 66.79 9.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.239 -173.028 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 19.8 pt-20 -150.04 145.54 26.45 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.145 -179.368 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 68.2 m-85 -116.45 26.35 9.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.151 169.756 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -51.22 -46.0 62.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.263 -171.726 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 83.5 t60 -63.56 -54.97 27.78 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.172 -176.215 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 90.1 mt -70.6 -38.31 73.98 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.173 -170.775 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 54.9 t -69.22 -44.46 80.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.171 -177.413 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 86.8 mt-30 -64.99 -33.75 76.79 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.218 175.04 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -66.24 -40.06 89.95 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.215 174.825 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 39.5 mmt180 -76.25 -21.38 56.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.202 -179.771 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 94.63 30.97 8.12 Favored Glycine 0 CA--C 1.523 0.574 0 N-CA-C 111.207 -0.757 . . . . 0.0 111.207 175.11 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -95.02 -165.01 35.34 Favored Glycine 0 CA--C 1.523 0.589 0 N-CA-C 111.19 -0.764 . . . . 0.0 111.19 178.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 61.4 tp60 -127.48 119.91 27.15 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.724 0.297 . . . . 0.0 111.232 -179.887 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 55.5 ptt85 -75.0 144.98 42.85 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.177 179.757 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 19.6 mm-40 -138.34 82.24 1.9 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.227 175.33 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 26.1 t -64.53 106.36 1.14 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.151 177.435 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 85.3 mm-40 -120.3 179.91 4.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.177 -173.69 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -121.75 90.24 3.27 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.274 179.837 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 28.5 mm -62.76 129.81 93.28 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.201 178.667 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 67.4 Cg_endo -77.6 146.38 24.1 Favored 'Trans proline' 0 N--CA 1.458 -0.588 0 C-N-CA 121.781 1.654 . . . . 0.0 111.192 -175.511 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 96.7 mt -86.84 -40.1 13.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.212 176.676 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 99.4 m-20 -71.69 -39.48 70.19 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.222 -178.317 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 88.8 mt-30 -88.77 -49.94 6.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.178 -172.541 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 74.0 t80 -91.19 -56.0 3.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.233 -177.174 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 119.61 28.25 1.97 Allowed Glycine 0 CA--C 1.523 0.591 0 N-CA-C 111.173 -0.771 . . . . 0.0 111.173 174.772 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 15.7 t -146.55 165.57 29.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.862 0.363 . . . . 0.0 111.158 175.435 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -72.42 171.44 49.28 Favored Glycine 0 CA--C 1.524 0.596 0 N-CA-C 111.23 -0.748 . . . . 0.0 111.23 -174.598 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 58.2 p-10 -94.14 12.01 28.03 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.774 0.321 . . . . 0.0 111.207 -172.382 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 82.6 p -84.56 -13.52 51.54 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.19 174.859 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -66.56 146.09 54.89 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.193 175.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 77.9 mtt85 -127.41 149.18 50.2 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.178 -174.831 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' GLN . . . . . 0.431 ' HG2' HG12 ' A' ' 94' ' ' ILE . 79.2 mt-30 -104.73 150.14 25.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.169 178.15 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 97.0 m-85 -142.67 146.29 34.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.225 -179.779 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 99.2 t -113.25 118.62 58.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.214 -176.734 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 94.3 mt -119.73 164.11 16.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.253 175.585 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 88.8 mmm 62.35 29.94 17.34 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.193 173.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 96.4 m-20 64.7 34.95 9.24 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.207 174.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 98.12 -3.72 60.32 Favored Glycine 0 CA--C 1.523 0.591 0 N-CA-C 111.236 -0.746 . . . . 0.0 111.236 174.579 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -80.55 -25.48 38.58 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.869 0.366 . . . . 0.0 111.251 -177.882 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 62.6 tp -122.84 124.56 43.55 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.26 178.755 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -105.03 114.99 29.52 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.178 177.147 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 58.5 t -110.26 121.36 62.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.175 -177.352 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . 0.431 HG12 ' HG2' ' A' ' 83' ' ' GLN . 68.5 mt -124.89 128.86 73.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.224 -179.425 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -111.65 133.28 11.37 Favored Glycine 0 CA--C 1.523 0.562 0 N-CA-C 111.254 -0.738 . . . . 0.0 111.254 -177.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 99.0 m-85 -116.36 159.64 21.65 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.736 0.303 . . . . 0.0 111.243 -172.527 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 10.0 t0 -75.0 170.04 16.79 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.229 -175.42 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 89.4 t80 -82.92 118.07 23.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.197 -177.852 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 12.6 t -171.88 138.46 1.06 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.201 176.826 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 81.7 p -80.88 -14.66 57.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.211 174.498 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -84.56 -31.97 24.07 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.18 175.215 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 66.2 mtt -74.69 -44.83 48.16 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.155 179.284 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 103' ' ' GLN . . . . . 0.456 ' HA ' ' HB ' ' A' ' 106' ' ' ILE . 20.6 pt20 -69.92 -19.89 63.37 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.234 -172.711 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 60.6 p -66.8 -20.69 65.99 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.161 177.558 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 95.1 mt -104.17 -38.75 5.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.219 175.332 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . 0.456 ' HB ' ' HA ' ' A' ' 103' ' ' GLN . 94.9 mt -56.17 -35.3 41.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.219 177.203 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 107' ' ' ARG . . . . . 0.404 ' HB2' HD11 ' A' ' 128' ' ' LEU . 35.9 ptt180 -62.64 -20.08 64.44 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.136 -178.639 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 97.2 m-20 -77.46 -8.95 58.55 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.176 -178.793 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 109' ' ' TYR . . . . . . . . . . . . . 59.0 m-85 -110.13 40.88 1.84 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.123 179.803 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 87.4 p -143.11 154.99 44.49 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.163 -174.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 55.8 m-20 -113.6 -32.77 6.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.169 176.549 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . 0.444 ' C ' HD23 ' A' ' 112' ' ' LEU . 10.5 tt -135.38 133.41 38.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.198 177.373 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 95.9 t -104.87 133.12 49.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.205 -170.501 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 114' ' ' ILE . . . . . 0.404 ' HB ' HG22 ' A' ' 10' ' ' VAL . 89.6 mt -124.47 135.21 64.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.261 -177.362 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 36.9 t -123.79 141.54 51.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.199 -178.311 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 97.9 m-70 -107.04 83.8 1.88 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.152 167.846 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . 55.04 53.86 9.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.202 -177.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -137.21 150.53 20.71 Favored Glycine 0 CA--C 1.523 0.568 0 N-CA-C 111.219 -0.753 . . . . 0.0 111.219 175.141 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 82.2 p -106.2 -26.95 11.35 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.79 0.328 . . . . 0.0 111.213 -171.07 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -64.88 -39.01 96.23 Favored Glycine 0 CA--C 1.523 0.563 0 N-CA-C 111.19 -0.764 . . . . 0.0 111.19 176.308 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 48.5 t -65.33 -39.53 92.52 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.791 0.329 . . . . 0.0 111.175 176.463 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 122' ' ' ILE . . . . . . . . . . . . . 93.7 mt -60.64 -44.99 98.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.224 176.691 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 56.7 tp -59.18 -43.17 92.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.208 177.301 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 97.6 m-20 -59.47 -45.14 92.5 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.12 177.235 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 22.7 t -60.15 -41.98 93.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.251 -179.812 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 96.2 mt -74.21 -31.57 62.67 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.167 -176.786 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -72.74 -30.09 63.88 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.237 175.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 128' ' ' LEU . . . . . 0.404 HD11 ' HB2' ' A' ' 107' ' ' ARG . 96.0 mt -83.79 -17.68 40.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.221 175.285 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 79.0 m-20 65.22 36.06 7.34 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.172 -174.905 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 41.2 mmtm -111.56 159.98 31.17 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.236 -178.104 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 68.4 Cg_exo -57.52 145.23 89.74 Favored 'Trans proline' 0 N--CA 1.458 -0.564 0 C-N-CA 121.724 1.616 . . . . 0.0 111.141 -176.388 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 49.0 tp -120.72 119.7 33.53 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.176 -175.848 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 85.4 mt -120.35 127.66 75.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.233 177.587 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 96.8 t -114.92 126.07 72.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.239 177.524 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 135' ' ' CYS . . . . . . . . . . . . . 53.9 t -119.12 125.29 48.92 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.257 -179.484 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 32.8 m -86.33 171.96 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.22 -170.445 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 18.7 p-10 . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.245 -174.404 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.766 0.317 . . . . 0.0 111.164 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 96.2 m-20 -56.99 -32.2 65.86 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.196 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 151' ' ' LYS . . . . . . . . . . . . . 59.6 mmtt -95.38 -29.94 14.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.176 -175.829 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 152' ' ' PHE . . . . . . . . . . . . . 7.1 m-30 -68.07 -27.56 66.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.145 174.883 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 153' ' ' VAL . . . . . . . . . . . . . 53.5 t -70.72 -39.41 75.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.161 171.198 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 92.5 mt-10 -62.79 -35.26 79.27 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.202 174.763 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 155' ' ' LEU . . . . . . . . . . . . . 84.7 mt -64.98 -49.96 68.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.133 173.289 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . 80.05 19.33 70.11 Favored Glycine 0 CA--C 1.523 0.591 0 N-CA-C 111.176 -0.769 . . . . 0.0 111.176 168.146 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 157' ' ' TYR . . . . . . . . . . . . . 26.2 p90 -140.07 9.59 2.34 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.784 0.326 . . . . 0.0 111.2 176.284 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 158' ' ' VAL . . . . . . . . . . . . . 7.6 p -147.81 135.0 13.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.254 -176.537 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 159' ' ' TRP . . . . . . . . . . . . . 91.7 m95 -98.14 150.12 21.79 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.22 176.719 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 160' ' ' SER . . . . . . . . . . . . . 31.2 t -111.59 126.61 55.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.22 176.904 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 161' ' ' CYS . . . . . 0.421 ' SG ' ' HA3' ' A' ' 171' ' ' GLY . 91.2 m -115.18 145.01 42.82 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.212 177.327 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -75.26 158.43 83.88 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.229 177.669 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 163' ' ' PRO . . . . . . . . . . . . . 88.7 Cg_endo -78.99 61.35 8.13 Favored 'Trans proline' 0 N--CA 1.458 -0.581 0 C-N-CA 121.694 1.596 . . . . 0.0 111.226 -178.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 164' ' ' THR . . . . . . . . . . . . . 28.0 p -133.29 -175.36 3.78 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.18 177.278 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 165' ' ' GLU . . . . . . . . . . . . . 89.2 mt-10 -87.59 7.92 27.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.172 173.004 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 166' ' ' THR . . . . . . . . . . . . . 82.0 p -125.55 -19.62 4.94 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.235 -178.75 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 167' ' ' GLY . . . . . . . . . . . . . . . -62.84 -47.73 86.64 Favored Glycine 0 CA--C 1.523 0.541 0 N-CA-C 111.172 -0.771 . . . . 0.0 111.172 -177.767 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 168' ' ' LEU . . . . . . . . . . . . . 25.0 tp -67.26 -32.54 73.61 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.744 0.307 . . . . 0.0 111.206 -179.599 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 96.3 mt -61.08 -44.37 98.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.262 174.24 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 170' ' ' ALA . . . . . . . . . . . . . . . -61.97 -37.69 85.71 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.271 177.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 171' ' ' GLY . . . . . 0.421 ' HA3' ' SG ' ' A' ' 161' ' ' CYS . . . -63.97 -41.23 98.71 Favored Glycine 0 CA--C 1.524 0.607 0 N-CA-C 111.162 -0.775 . . . . 0.0 111.162 178.353 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 83.1 mt -63.78 -35.39 80.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.789 0.328 . . . . 0.0 111.187 178.667 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 173' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -70.0 -37.78 75.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.193 173.817 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -64.94 -36.04 83.11 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.2 -178.453 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 52.3 p -64.99 -21.49 66.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.184 179.89 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 176' ' ' GLN . . . . . . . . . . . . . 93.3 mm-40 -100.74 -25.84 13.99 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.239 -178.581 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 177' ' ' THR . . . . . . . . . . . . . 99.4 m -71.95 -46.02 59.01 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.2 179.143 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 178' ' ' GLU . . . . . . . . . . . . . 94.0 mt-10 -127.42 159.9 33.07 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.181 -177.544 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 179' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -94.91 159.85 14.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.167 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 180' ' ' LEU . . . . . . . . . . . . . 96.2 mt . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.223 179.705 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 95.5 mt-10 . . . . . 0 CA--C 1.523 -0.088 0 CA-C-O 120.822 0.344 . . . . 0.0 111.185 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . 0.476 ' HB2' ' HA ' ' A' ' 39' ' ' PHE . 97.0 mttt -69.27 148.64 49.49 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.193 174.465 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -114.21 130.1 56.63 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.178 -168.642 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 93.2 mt -89.65 145.36 25.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.164 167.158 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 1.2 t80 -120.1 91.29 3.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.173 171.778 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 85.4 t -97.24 129.74 46.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.166 -174.061 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 47.1 p -117.45 160.01 21.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.236 173.137 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 77.3 m -127.38 154.58 44.82 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.188 -175.878 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -132.59 -158.68 8.98 Favored Glycine 0 CA--C 1.523 0.589 0 N-CA-C 111.198 -0.761 . . . . 0.0 111.198 -179.593 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -94.78 -36.14 11.81 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.768 0.318 . . . . 0.0 111.198 -173.82 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 94.1 m -59.91 -54.79 41.96 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.233 -172.155 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 67.5 t -91.83 128.97 43.86 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.169 177.751 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 83.4 Cg_exo -52.53 137.14 57.87 Favored 'Trans proline' 0 N--CA 1.459 -0.547 0 C-N-CA 121.69 1.593 . . . . 0.0 111.139 -178.807 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . 0.553 ' HB3' ' HD3' ' A' ' 19' ' ' PRO . 86.4 t80 -61.87 -44.4 90.28 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.218 -178.311 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . 0.553 ' HD3' ' HB3' ' A' ' 18' ' ' PHE . 71.7 Cg_exo -53.55 -39.85 81.14 Favored 'Trans proline' 0 N--CA 1.458 -0.577 0 C-N-CA 121.68 1.587 . . . . 0.0 111.167 178.894 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -72.41 -40.26 67.31 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.182 -179.645 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 80.8 mt -59.33 -42.95 92.65 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.174 179.671 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 72.4 t -75.7 -38.27 37.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.19 -179.818 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 45.7 t -59.65 -39.91 85.95 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.27 179.812 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 60.8 m -68.5 -45.03 73.39 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.167 -176.088 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 33.7 m -73.88 -19.09 17.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.212 -178.144 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 69.7 mt -105.09 15.55 27.38 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.205 176.21 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 54.6 p -73.93 154.22 39.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.183 -178.415 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 99.8 m-20 -65.6 -35.17 80.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.144 178.85 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 78.0 mm-40 -74.3 -42.7 59.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.183 -176.182 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 84.1 t80 -68.35 -47.5 67.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.176 -179.636 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 95.0 m -66.38 -30.37 70.74 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.167 -177.468 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 66.9 tt0 -53.08 -50.23 64.8 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.198 -178.411 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 94.8 mt-10 -85.94 -27.86 24.66 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.252 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.492 ' HG ' ' HB2' ' A' ' 39' ' ' PHE . 47.8 tp -54.93 -45.02 74.75 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.159 -179.224 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 41.5 pt -78.36 -10.67 13.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.222 -177.727 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 65.0 mt-30 -91.04 -19.74 22.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.211 174.823 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 42.5 m-85 -78.7 -25.9 44.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.167 172.024 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 117.78 14.66 6.64 Favored Glycine 0 CA--C 1.523 0.54 0 N-CA-C 111.217 -0.753 . . . . 0.0 111.217 175.775 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.492 ' HB2' ' HG ' ' A' ' 34' ' ' LEU . 71.5 m-85 -93.31 129.77 39.29 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.759 0.314 . . . . 0.0 111.199 -179.678 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.524 ' O ' HG12 ' A' ' 40' ' ' VAL . 70.3 t -136.94 -10.08 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.2 -177.685 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 78.0 mtm180 -115.13 132.43 56.61 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.212 177.018 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 40.5 tp -128.72 109.73 11.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.224 179.506 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 4.5 mp -100.58 117.4 45.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.185 -179.027 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 69.8 mt -116.69 126.0 73.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.173 -174.627 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 12.1 tp-100 -86.91 120.04 27.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.216 176.259 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . 0.408 ' CE1' ' HA3' ' A' ' 95' ' ' GLY . 54.0 p90 -159.29 169.35 24.24 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.161 176.245 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -75.7 -176.54 40.11 Favored Glycine 0 CA--C 1.524 0.594 0 N-CA-C 111.194 -0.762 . . . . 0.0 111.194 -171.215 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 79.1 ttt180 -84.96 -70.02 0.61 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.739 0.304 . . . . 0.0 111.267 -174.062 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 72.9 m-80 -112.31 14.65 20.47 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.176 -176.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 82.1 m-85 -119.65 -5.05 10.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.17 -176.596 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 13.1 m -136.19 9.95 3.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.225 -176.882 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 75.2 m -72.75 70.01 0.94 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.176 177.699 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 74.7 mm-40 -97.46 3.07 50.92 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.228 179.51 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 65.6 m-85 -75.04 -13.02 60.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.22 -177.134 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 25.2 pt-20 -72.69 -9.63 58.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.177 171.199 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 98.3 m-70 -116.72 -13.76 10.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.213 177.012 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 89.2 mt -112.01 -21.41 11.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.205 -174.026 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 95.6 t -115.39 -52.83 4.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.204 177.513 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 33.4 tt0 -62.15 -43.06 99.67 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.215 -177.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 94.5 mt-10 -74.9 -29.34 60.96 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.198 176.44 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 53.8 tpt85 -63.21 -30.91 71.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.215 175.847 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 110.66 17.63 9.04 Favored Glycine 0 CA--C 1.523 0.534 0 N-CA-C 111.203 -0.759 . . . . 0.0 111.203 176.549 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -94.99 -169.14 36.46 Favored Glycine 0 CA--C 1.523 0.577 0 N-CA-C 111.191 -0.763 . . . . 0.0 111.191 179.094 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 96.2 mm-40 -114.97 169.77 8.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.735 0.302 . . . . 0.0 111.184 177.567 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -162.0 144.8 11.7 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.216 -176.606 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 38.0 tt0 -168.77 144.85 3.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.135 -179.723 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 38.0 t -79.51 136.44 36.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.192 176.162 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 91.4 mm-40 -126.88 151.71 48.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.249 -175.168 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -119.06 105.0 10.98 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.178 172.87 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.409 ' HA ' ' HD3' ' A' ' 71' ' ' PRO . 72.3 mt -112.55 132.48 22.18 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.224 -170.099 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . 0.409 ' HD3' ' HA ' ' A' ' 70' ' ' ILE . 53.9 Cg_exo -55.07 127.16 25.12 Favored 'Trans proline' 0 N--CA 1.458 -0.61 0 C-N-CA 121.702 1.601 . . . . 0.0 111.191 177.483 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 92.9 mt -70.32 -40.68 78.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.166 175.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 99.6 m-20 -69.88 -21.92 63.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.216 -173.094 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 98.8 mm-40 -99.97 -39.85 7.94 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.15 -174.555 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 92.4 m-85 -118.04 -40.22 3.0 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.211 -173.291 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 108.47 -4.96 33.08 Favored Glycine 0 CA--C 1.524 0.621 0 N-CA-C 111.179 -0.769 . . . . 0.0 111.179 179.682 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 79.2 m -87.72 157.43 19.07 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.809 0.337 . . . . 0.0 111.145 173.715 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -95.09 -165.24 35.31 Favored Glycine 0 CA--C 1.523 0.583 0 N-CA-C 111.216 -0.753 . . . . 0.0 111.216 -175.495 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 55.1 p-10 -100.5 10.48 41.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.829 0.347 . . . . 0.0 111.225 -178.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 58.7 p -117.99 32.28 6.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.216 175.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -72.67 136.78 45.7 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.21 -175.503 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 32.7 mmm-85 -110.02 102.3 11.04 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.263 176.826 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 32.8 tt0 -88.97 134.17 34.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.201 -173.317 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' TYR . . . . . 0.482 ' HB2' ' HB ' ' A' ' 93' ' ' VAL . 40.2 m-85 -132.95 141.41 48.32 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.188 173.721 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 68.8 t -116.95 114.06 44.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.208 -173.473 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 87.2 mt -129.49 172.27 11.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.194 177.924 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 95.6 mmm 60.36 30.11 19.55 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.173 177.916 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 96.4 m-20 64.91 32.08 10.96 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.203 178.532 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 95.05 -2.33 65.91 Favored Glycine 0 CA--C 1.522 0.53 0 N-CA-C 111.218 -0.753 . . . . 0.0 111.218 177.112 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 99.7 mttt -81.28 -16.95 51.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.777 0.322 . . . . 0.0 111.203 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 62.1 tp -118.37 109.28 16.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.175 174.386 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 96.5 mttt -101.18 102.61 13.56 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.249 178.874 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . 0.482 ' HB ' ' HB2' ' A' ' 84' ' ' TYR . 60.2 t -97.55 128.45 48.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.177 -175.806 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 71.8 mt -124.52 121.58 61.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.179 177.405 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . 0.408 ' HA3' ' CE1' ' A' ' 46' ' ' PHE . . . -100.16 146.97 17.95 Favored Glycine 0 CA--C 1.524 0.622 0 N-CA-C 111.172 -0.771 . . . . 0.0 111.172 -179.039 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 80.3 m-85 -133.25 148.42 51.98 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.825 0.345 . . . . 0.0 111.202 173.457 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 64.4 t0 -111.21 80.44 1.31 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.204 163.283 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 7.9 m-30 -110.08 139.73 44.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.135 -168.549 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 86.8 p -79.52 170.0 17.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.177 165.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 97.6 m -47.42 -45.07 25.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.227 -174.618 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -66.19 -32.48 73.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.199 -178.397 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 102' ' ' MET . . . . . 0.407 ' O ' HG12 ' A' ' 105' ' ' ILE . 96.7 mmm -85.73 -12.36 51.3 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.195 -177.789 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 80.4 mt-30 -84.38 -14.9 48.18 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.223 178.726 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 87.2 p -68.25 -19.4 64.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.235 -176.892 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 105' ' ' ILE . . . . . 0.407 HG12 ' O ' ' A' ' 102' ' ' MET . 48.0 pt -94.19 -7.99 9.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.233 -177.476 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 46.3 pt -115.6 0.02 8.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.258 175.131 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 70.5 mtt180 -67.92 -42.51 80.95 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.238 167.825 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 57.4 p-10 -89.43 4.82 47.83 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.223 178.564 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 109' ' ' TYR . . . . . . . . . . . . . 41.5 t80 -101.55 40.0 1.37 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.252 175.128 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 87.3 p -145.78 155.04 42.68 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.148 -171.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 55.4 m-20 -120.0 -35.03 3.57 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.215 172.011 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 53.3 tp -131.62 119.93 22.13 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.172 175.764 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 96.9 t -96.39 130.83 44.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.184 -176.425 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 76.2 mt -121.6 102.62 12.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.151 179.279 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 63.0 m -109.92 135.82 50.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.12 -166.052 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 65.8 t-80 -69.98 140.04 52.89 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.205 173.161 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . 0.43 ' HA ' HD11 ' A' ' 122' ' ' ILE . . . -54.15 133.43 44.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.197 178.736 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 85.06 37.51 9.96 Favored Glycine 0 CA--C 1.524 0.611 0 N-CA-C 111.161 -0.776 . . . . 0.0 111.161 174.262 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 70.5 p -126.49 169.79 12.67 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.794 0.331 . . . . 0.0 111.217 175.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -84.87 -18.99 60.3 Favored Glycine 0 CA--C 1.524 0.6 0 N-CA-C 111.189 -0.764 . . . . 0.0 111.189 175.687 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 85.0 p -65.88 -24.8 66.93 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.77 0.319 . . . . 0.0 111.138 178.744 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 122' ' ' ILE . . . . . 0.43 HD11 ' HA ' ' A' ' 117' ' ' ALA . 83.8 mt -60.01 -40.02 81.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.239 171.539 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 79.4 mt -85.93 -19.08 31.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.188 -177.216 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 80.3 m-20 -67.71 -48.9 65.22 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.224 177.386 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 8.5 t -57.96 -34.2 69.67 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.154 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 97.4 mt -63.19 -43.26 98.7 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.227 174.705 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 89.9 mtm180 -72.91 -21.35 60.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.133 178.339 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 90.9 mt -84.78 -14.58 47.73 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.177 176.692 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 55.5 t30 60.83 36.39 19.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.19 -173.216 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -113.97 148.39 39.84 Favored Pre-proline 0 C--N 1.328 -0.364 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.152 -178.269 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 75.8 Cg_exo -53.17 138.7 63.4 Favored 'Trans proline' 0 N--CA 1.458 -0.576 0 C-N-CA 121.675 1.583 . . . . 0.0 111.174 179.663 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 132' ' ' LEU . . . . . 0.422 ' HB3' HG22 ' A' ' 158' ' ' VAL . 61.2 tp -132.13 120.07 21.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.194 -172.532 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 81.5 mt -97.69 120.11 46.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.195 166.709 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 88.6 t -99.58 113.23 34.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.161 -178.549 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 135' ' ' CYS . . . . . . . . . . . . . 87.5 m -86.3 105.0 16.35 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.163 -179.182 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 34.3 m -100.09 172.66 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.251 -175.66 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 54.6 t-20 . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.213 -178.814 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.853 0.359 . . . . 0.0 111.193 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 87.9 m-20 -56.3 -33.51 65.61 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.16 -176.358 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 151' ' ' LYS . . . . . . . . . . . . . 44.2 mmtt -84.73 -30.0 25.08 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.22 177.644 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 152' ' ' PHE . . . . . . . . . . . . . 6.9 m-30 -69.99 -22.02 63.17 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.192 175.374 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 153' ' ' VAL . . . . . . . . . . . . . 43.5 t -63.33 -30.1 48.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.261 173.863 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -65.71 -21.31 66.52 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.205 176.91 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 155' ' ' LEU . . . . . . . . . . . . . 50.8 mt -75.02 -28.76 60.61 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.138 178.685 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . 109.23 -26.03 16.34 Favored Glycine 0 CA--C 1.522 0.523 0 N-CA-C 111.231 -0.748 . . . . 0.0 111.231 167.522 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 157' ' ' TYR . . . . . . . . . . . . . 37.9 p90 -149.9 24.75 0.84 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.772 0.32 . . . . 0.0 111.211 -171.233 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 158' ' ' VAL . . . . . 0.422 HG22 ' HB3' ' A' ' 132' ' ' LEU . 45.5 t -126.46 129.91 71.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.204 -176.358 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 159' ' ' TRP . . . . . . . . . . . . . 90.8 m95 -130.51 140.36 50.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.207 178.13 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 160' ' ' SER . . . . . . . . . . . . . 28.8 t -104.77 142.06 35.39 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.166 178.706 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 161' ' ' CYS . . . . . . . . . . . . . 29.7 p -164.99 165.06 20.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.182 175.396 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -75.57 137.87 70.7 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.182 170.857 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 163' ' ' PRO . . . . . . . . . . . . . 94.7 Cg_endo -76.4 69.93 6.41 Favored 'Trans proline' 0 N--CA 1.458 -0.597 0 C-N-CA 121.708 1.605 . . . . 0.0 111.223 178.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 164' ' ' THR . . . . . . . . . . . . . 24.3 p -120.62 -174.18 2.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.203 179.844 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 165' ' ' GLU . . . . . . . . . . . . . 25.2 pt-20 -70.01 -9.94 56.95 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.216 177.064 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 166' ' ' THR . . . . . . . . . . . . . 74.0 p -114.79 -42.15 3.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.238 -178.519 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 167' ' ' GLY . . . . . . . . . . . . . . . -76.31 -40.66 28.04 Favored Glycine 0 CA--C 1.524 0.594 0 N-CA-C 111.226 -0.75 . . . . 0.0 111.226 -173.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 168' ' ' LEU . . . . . . . . . . . . . 62.6 tp -64.03 -50.49 68.24 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.799 0.333 . . . . 0.0 111.203 -178.049 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 10.1 tp -66.55 -29.67 47.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.293 179.684 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 170' ' ' ALA . . . . . . . . . . . . . . . -65.41 -37.23 86.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.175 173.662 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 171' ' ' GLY . . . . . . . . . . . . . . . -65.01 -43.4 95.92 Favored Glycine 0 CA--C 1.523 0.585 0 N-CA-C 111.219 -0.752 . . . . 0.0 111.219 175.063 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 56.8 tp -60.38 -42.83 96.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.79 0.328 . . . . 0.0 111.186 176.434 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 173' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -62.14 -41.21 98.04 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.187 173.92 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -70.74 -25.04 62.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.163 -175.399 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 54.6 p -90.0 -34.3 16.04 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.183 -179.102 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 176' ' ' GLN . . . . . . . . . . . . . 93.7 mm-40 -102.11 -52.28 3.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.197 -171.539 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 177' ' ' THR . . . . . . . . . . . . . 85.4 m -73.99 -45.2 51.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.194 -176.712 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 178' ' ' GLU . . . . . . . . . . . . . 78.5 mm-40 -80.03 134.02 36.19 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.176 175.515 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 179' ' ' LYS . . . . . . . . . . . . . 88.6 tttt -67.11 130.09 42.0 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.208 -175.75 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 180' ' ' LEU . . . . . . . . . . . . . 58.0 mt . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.22 174.518 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 . . . . . 0 CA--C 1.523 -0.094 0 CA-C-O 120.778 0.323 . . . . 0.0 111.249 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 75.3 mmtt -90.43 160.75 15.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.209 -171.283 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -125.73 140.82 52.37 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.243 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 39.4 tp -113.98 119.01 35.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.196 -179.872 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 69.6 t80 -89.87 121.18 31.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.24 177.499 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 73.3 t -120.42 124.65 72.97 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.27 178.66 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . 0.417 ' HA ' ' HB3' ' A' ' 45' ' ' GLN . 77.1 m -93.6 129.31 39.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.209 174.464 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 80.7 m -115.03 113.71 24.43 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.159 170.275 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -91.26 -177.27 43.31 Favored Glycine 0 CA--C 1.524 0.632 0 N-CA-C 111.2 -0.76 . . . . 0.0 111.2 -171.371 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -85.47 52.84 2.56 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.779 0.323 . . . . 0.0 111.176 -174.348 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 37.5 p -129.96 -83.75 0.55 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.197 176.916 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 95.7 t -71.83 128.75 89.1 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.261 -174.454 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 76.0 Cg_exo -50.1 132.47 33.24 Favored 'Trans proline' 0 N--CA 1.458 -0.589 0 C-N-CA 121.757 1.638 . . . . 0.0 111.201 177.505 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . 0.605 ' N ' ' CD ' ' A' ' 19' ' ' PRO . 9.8 m-30 -67.56 -38.7 16.14 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.152 -176.896 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . 0.605 ' CD ' ' N ' ' A' ' 18' ' ' PHE . 57.5 Cg_exo -53.4 -22.76 21.97 Favored 'Trans proline' 0 N--CA 1.459 -0.534 0 C-N-CA 121.639 1.559 . . . . 0.0 111.203 174.257 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -97.86 -43.58 7.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.198 174.709 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 67.2 tp -77.46 -59.29 2.84 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.213 -174.483 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 73.7 t -61.63 -32.05 52.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.265 -176.891 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 94.9 p -63.05 -26.58 68.91 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.21 -179.207 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 98.4 m -85.01 -23.55 28.61 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.226 175.66 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 68.8 t -74.15 -29.14 24.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.163 170.673 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 91.7 mt -91.95 -2.38 56.8 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.201 -178.526 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 66.3 p -65.13 157.54 28.36 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.248 -173.209 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 99.6 m-20 -65.43 -39.4 92.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.235 178.141 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -70.46 -39.07 74.5 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.19 -176.268 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 83.5 t80 -59.05 -45.74 90.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.177 176.702 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.402 ' SG ' HD22 ' A' ' 91' ' ' LEU . 74.1 m -85.47 -15.57 42.47 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.147 -176.614 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 65.6 tt0 -61.15 -32.84 72.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.167 172.783 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 78.6 mm-40 -77.21 -37.82 52.62 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.2 174.907 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 78.9 mt -63.5 -37.17 86.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.135 -174.914 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 46.3 pt -71.8 -10.09 13.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.26 179.256 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 64.6 mt-30 -96.12 -5.57 40.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.2 173.585 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 50.4 m-85 -112.36 -6.49 14.03 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.17 175.533 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 89.35 21.85 39.71 Favored Glycine 0 CA--C 1.523 0.549 0 N-CA-C 111.193 -0.763 . . . . 0.0 111.193 175.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 34.1 m-85 -97.24 130.93 44.4 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.83 0.347 . . . . 0.0 111.222 179.298 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 87.5 t -124.76 -33.95 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.187 -177.148 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 73.8 mtm-85 -99.94 129.33 46.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.227 -173.509 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 54.6 mt -108.81 138.01 45.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.209 174.792 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 77.3 mt -124.13 106.18 16.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.183 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 92.7 mt -100.42 114.2 38.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.237 -172.14 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . 0.417 ' HB3' ' HA ' ' A' ' 11' ' ' THR . 51.2 tt0 -82.27 130.66 35.15 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.207 168.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 85.4 m-85 -102.97 120.42 40.6 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.134 -176.685 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -80.78 -168.37 39.08 Favored Glycine 0 CA--C 1.523 0.581 0 N-CA-C 111.247 -0.741 . . . . 0.0 111.247 179.607 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . 0.568 ' O ' ' HB2' ' A' ' 49' ' ' ASN . 99.7 mtt180 -82.59 162.69 21.84 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.788 0.327 . . . . 0.0 111.168 -175.133 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . 0.568 ' HB2' ' O ' ' A' ' 48' ' ' ARG . 94.9 m-20 76.19 0.32 3.24 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.235 178.817 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 92.9 m-85 -137.24 146.4 44.73 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.252 178.727 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 90.1 p -79.97 159.77 26.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.258 -179.424 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 55.0 m -85.22 55.38 3.47 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.228 178.683 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 75.7 tt0 -160.12 141.66 12.61 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.204 -175.672 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 45.8 p90 -143.09 37.76 1.41 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.228 176.395 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 86.4 tt0 -55.85 -35.54 66.54 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.167 -178.069 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 83.5 t60 -54.16 -46.11 72.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.19 -179.748 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 94.6 mt -65.57 -37.23 86.08 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.179 -175.876 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 56.1 t -72.97 -36.69 52.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.219 178.7 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 72.7 tp60 -64.94 -36.93 85.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.228 175.589 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 75.4 mm-40 -71.07 -33.08 69.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.229 176.038 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 51.7 tpt85 -75.17 -24.99 57.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.208 176.27 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 90.11 28.51 17.58 Favored Glycine 0 CA--C 1.524 0.625 0 N-CA-C 111.125 -0.79 . . . . 0.0 111.125 175.7 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -98.25 -167.16 31.44 Favored Glycine 0 CA--C 1.523 0.576 0 N-CA-C 111.173 -0.771 . . . . 0.0 111.173 -179.343 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 95.2 mm-40 -120.01 179.16 4.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.76 0.314 . . . . 0.0 111.206 179.007 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -167.7 141.31 3.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.251 -178.663 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -146.34 128.37 15.55 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.181 178.111 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 66.7 m -69.86 143.11 52.93 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.197 178.807 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 65.4 tt0 -160.08 134.95 7.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.249 -175.701 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -71.87 75.55 0.89 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.154 177.694 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 43.5 mm -62.07 126.5 87.64 Favored Pre-proline 0 C--N 1.328 -0.366 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.231 -177.374 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 79.9 Cg_exo -54.98 130.28 39.9 Favored 'Trans proline' 0 N--CA 1.458 -0.593 0 C-N-CA 121.668 1.579 . . . . 0.0 111.214 -175.916 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 16.0 tt -75.02 -20.01 16.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.197 171.552 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 68.0 m-20 -83.45 -35.56 24.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.203 -177.717 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 64.6 tt0 -86.06 -59.89 2.17 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.187 178.323 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 95.4 m-85 -91.14 -54.9 3.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.187 -176.439 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 119.2 26.69 2.4 Favored Glycine 0 CA--C 1.524 0.6 0 N-CA-C 111.162 -0.775 . . . . 0.0 111.162 -177.495 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 79.6 m -109.87 169.56 8.64 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.792 0.329 . . . . 0.0 111.185 178.805 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -94.89 -166.11 35.81 Favored Glycine 0 CA--C 1.523 0.591 0 N-CA-C 111.185 -0.766 . . . . 0.0 111.185 -177.831 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 58.6 p-10 -91.51 9.57 31.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.815 0.341 . . . . 0.0 111.212 -179.594 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 77.4 p -110.65 10.67 22.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.149 175.209 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -71.06 154.96 41.35 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.233 -175.535 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . 0.447 ' HD2' ' CZ ' ' A' ' 84' ' ' TYR . 40.8 ttm180 -137.94 137.74 38.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.221 178.321 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 63.9 tt0 -95.88 116.05 28.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.208 178.39 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' TYR . . . . . 0.447 ' CZ ' ' HD2' ' A' ' 82' ' ' ARG . 96.5 m-85 -97.72 138.24 35.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.132 177.108 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 74.8 t -116.74 107.99 23.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.195 -169.816 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.418 ' HB2' HD23 ' A' ' 91' ' ' LEU . 95.2 mt -121.86 167.75 12.67 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.242 -177.364 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 96.1 mtp 54.98 34.67 22.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.257 179.74 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 96.3 m-20 63.84 33.53 12.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.211 175.873 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 96.96 -4.07 62.77 Favored Glycine 0 CA--C 1.522 0.508 0 N-CA-C 111.181 -0.768 . . . . 0.0 111.181 175.58 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -80.14 -19.07 48.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.763 0.316 . . . . 0.0 111.205 -179.592 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.418 HD23 ' HB2' ' A' ' 86' ' ' LEU . 57.2 tp -121.27 121.76 38.42 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.167 177.082 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -114.5 108.44 16.86 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.178 -179.236 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 44.3 t -111.47 120.51 62.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.193 -174.109 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 87.3 mt -101.38 123.12 54.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.196 -176.75 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -106.25 147.75 16.3 Favored Glycine 0 CA--C 1.522 0.512 0 N-CA-C 111.237 -0.745 . . . . 0.0 111.237 171.12 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 29.6 p90 -163.73 172.1 14.66 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.815 0.341 . . . . 0.0 111.202 -170.221 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 14.0 m-20 -96.6 86.47 4.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.197 175.377 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 71.5 t80 -49.07 126.5 12.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.214 -178.498 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 56.0 m -130.0 169.63 15.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.239 -175.328 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 99.8 m -53.84 -44.96 70.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.211 -178.006 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -63.37 -32.85 74.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.163 -178.544 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 60.2 mtt -75.21 -24.99 57.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.204 -175.077 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 66.1 tt0 -53.46 -40.48 65.3 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.223 179.826 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 92.0 p -93.15 -2.77 54.99 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.181 -174.765 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 95.6 mt -112.09 -67.86 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.185 -173.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 13.5 tt -70.77 -23.42 23.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.224 -168.269 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -72.49 -41.36 66.07 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.19 176.272 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 38.6 t70 -66.91 -36.67 82.79 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.194 173.804 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 109' ' ' TYR . . . . . . . . . . . . . 81.0 t80 -56.09 -42.37 76.64 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.192 178.648 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 60.3 p -70.9 167.17 19.6 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.186 -176.683 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 54.4 m-20 -106.18 -37.69 6.5 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.181 -178.376 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 92.0 mt -112.8 146.46 38.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.212 172.126 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 95.2 t -123.86 122.13 63.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.254 177.42 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 114' ' ' ILE . . . . . 0.42 HG12 ' HB ' ' A' ' 133' ' ' ILE . 77.6 mt -114.2 117.36 55.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.272 175.191 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 60.7 p -91.88 158.3 16.37 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.191 177.081 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 14.6 t-160 -129.6 119.88 24.35 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.231 -177.467 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . 54.82 45.31 26.88 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.223 176.241 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 163.41 -176.27 39.58 Favored Glycine 0 CA--C 1.524 0.637 0 N-CA-C 111.171 -0.772 . . . . 0.0 111.171 178.268 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 45.7 p -126.78 25.09 6.43 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.798 0.332 . . . . 0.0 111.181 179.103 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -64.3 -45.61 93.0 Favored Glycine 0 CA--C 1.524 0.6 0 N-CA-C 111.183 -0.767 . . . . 0.0 111.183 -178.628 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 66.7 m -75.18 -17.51 60.36 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.817 0.342 . . . . 0.0 111.259 177.187 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 122' ' ' ILE . . . . . 0.471 HG13 HG22 ' A' ' 134' ' ' VAL . 48.9 mm -79.12 -41.51 23.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.141 -176.642 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 42.2 tp -63.46 -36.43 83.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.281 178.863 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 94.3 m-20 -70.32 -50.37 39.92 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.179 173.667 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 33.3 t -55.83 -35.43 66.37 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.218 178.704 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 64.2 tp -56.55 -45.75 81.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.29 172.742 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 90.6 mtm180 -74.71 -20.5 59.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.241 178.696 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 94.5 mt -88.47 -8.03 55.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.232 178.638 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 78.9 m-20 64.86 35.09 8.72 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.208 -179.34 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 39.1 mmtm -111.24 149.8 41.09 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.229 177.357 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_exo -56.99 147.38 74.85 Favored 'Trans proline' 0 N--CA 1.458 -0.594 0 C-N-CA 121.71 1.607 . . . . 0.0 111.216 -175.208 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 33.4 mt -111.89 97.51 6.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.177 -167.782 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 133' ' ' ILE . . . . . 0.42 ' HB ' HG12 ' A' ' 114' ' ' ILE . 89.4 mt -101.81 125.61 55.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.215 176.805 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 134' ' ' VAL . . . . . 0.471 HG22 HG13 ' A' ' 122' ' ' ILE . 93.9 t -118.61 106.82 20.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.166 -174.714 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 135' ' ' CYS . . . . . . . . . . . . . 50.5 t -99.91 112.65 24.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.223 178.552 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 46.6 t -140.22 130.81 29.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.179 -179.033 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 11.4 t-20 . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.167 179.994 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.746 0.308 . . . . 0.0 111.201 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 99.8 m-20 -66.13 -34.84 78.97 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.186 172.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 151' ' ' LYS . . . . . . . . . . . . . 96.2 mttt -69.96 -36.28 75.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.271 176.804 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 152' ' ' PHE . . . . . . . . . . . . . 19.9 m-30 -59.91 -29.17 68.18 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.172 -178.137 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 153' ' ' VAL . . . . . . . . . . . . . 74.6 t -53.83 -40.06 42.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.22 -177.329 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 95.0 mt-10 -120.0 -4.84 10.08 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.205 -172.475 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 155' ' ' LEU . . . . . . . . . . . . . 52.2 tp -55.45 -53.76 52.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.256 -176.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . 105.13 -30.73 9.48 Favored Glycine 0 CA--C 1.524 0.636 0 N-CA-C 111.203 -0.759 . . . . 0.0 111.203 175.54 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 157' ' ' TYR . . . . . . . . . . . . . 28.5 m-85 -87.62 -53.04 5.0 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.782 0.325 . . . . 0.0 111.192 176.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 158' ' ' VAL . . . . . . . . . . . . . 50.0 t -108.75 134.91 49.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.197 -178.934 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 159' ' ' TRP . . . . . . . . . . . . . 13.4 m-90 -118.87 132.34 56.1 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.16 -178.382 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 160' ' ' SER . . . . . . . . . . . . . 30.6 t -85.81 126.58 34.13 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.218 178.574 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 161' ' ' CYS . . . . . . . . . . . . . 34.0 m -133.34 170.19 15.83 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.197 179.738 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -119.58 149.0 47.16 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.234 178.673 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 163' ' ' PRO . . . . . . . . . . . . . 86.3 Cg_endo -78.52 62.85 8.35 Favored 'Trans proline' 0 N--CA 1.458 -0.601 0 C-N-CA 121.719 1.613 . . . . 0.0 111.208 -179.498 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 164' ' ' THR . . . . . . . . . . . . . 10.6 p -133.89 -179.99 5.89 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.223 179.149 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 165' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -64.37 -17.23 63.54 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.146 177.798 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 166' ' ' THR . . . . . . . . . . . . . 74.9 p -114.63 -32.11 5.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.158 -171.321 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 167' ' ' GLY . . . . . . . . . . . . . . . -72.92 -38.13 56.3 Favored Glycine 0 CA--C 1.524 0.619 0 N-CA-C 111.181 -0.767 . . . . 0.0 111.181 -179.273 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 168' ' ' LEU . . . . . . . . . . . . . 91.5 mt -65.57 -36.54 84.07 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.78 0.324 . . . . 0.0 111.179 178.187 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 94.6 mt -71.62 -39.71 70.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.186 173.703 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 170' ' ' ALA . . . . . . . . . . . . . . . -57.26 -34.89 69.08 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.192 178.808 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 171' ' ' GLY . . . . . . . . . . . . . . . -63.35 -43.19 98.73 Favored Glycine 0 CA--C 1.523 0.567 0 N-CA-C 111.201 -0.76 . . . . 0.0 111.201 178.167 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 97.7 mt -64.88 -37.78 88.77 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.807 0.336 . . . . 0.0 111.172 177.855 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 173' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -78.82 -27.35 44.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.219 -179.658 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -65.63 -34.82 79.12 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.24 -179.798 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 59.7 p -64.98 -24.95 67.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.178 177.485 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 176' ' ' GLN . . . . . . . . . . . . . 66.5 tt0 -85.77 -41.9 14.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.221 178.254 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 177' ' ' THR . . . . . . . . . . . . . 89.1 m -65.89 -58.44 5.57 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.288 -177.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 178' ' ' GLU . . . . . . . . . . . . . 76.1 mm-40 -110.06 89.94 3.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.148 176.022 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 179' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -71.84 148.8 45.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.231 -172.237 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 180' ' ' LEU . . . . . 0.484 ' C ' HD23 ' A' ' 180' ' ' LEU . 8.2 tt . . . . . 0 C--N 1.328 -0.361 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.203 177.358 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 72.5 mm-40 . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.775 0.322 . . . . 0.0 111.218 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 36.4 tptt -50.26 109.83 0.34 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.171 -177.651 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -116.99 126.05 52.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.209 -171.577 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 52.9 tp -99.36 121.84 41.67 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.169 172.81 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 73.6 t80 -99.63 120.06 39.08 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.164 177.753 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 88.7 t -113.62 127.91 70.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.243 178.002 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 10.1 t -138.57 146.56 41.97 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.187 177.68 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 68.7 m -104.81 155.46 18.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.196 178.885 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -79.29 -177.62 50.19 Favored Glycine 0 CA--C 1.523 0.574 0 N-CA-C 111.258 -0.737 . . . . 0.0 111.258 -179.689 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -89.68 -4.67 57.64 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.799 0.333 . . . . 0.0 111.207 -176.22 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 71.8 p -112.12 5.0 18.32 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.174 -177.136 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 27.1 m -125.3 155.65 71.16 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.236 179.697 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 55.3 Cg_endo -69.46 138.43 38.76 Favored 'Trans proline' 0 N--CA 1.457 -0.641 0 C-N-CA 121.753 1.635 . . . . 0.0 111.251 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . 0.495 ' HB2' ' HD3' ' A' ' 19' ' ' PRO . 29.6 m-85 -80.88 -57.18 0.6 Allowed Pre-proline 0 C--N 1.328 -0.334 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.17 -175.577 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . 0.495 ' HD3' ' HB2' ' A' ' 18' ' ' PHE . 37.7 Cg_endo -70.0 -24.98 27.97 Favored 'Trans proline' 0 N--CA 1.458 -0.579 0 C-N-CA 121.688 1.592 . . . . 0.0 111.212 -171.514 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -74.17 -30.86 62.45 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.153 179.197 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 96.9 mt -86.42 -19.73 29.22 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.173 177.394 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 46.5 t -66.58 -40.0 85.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.173 170.365 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 57.0 p -65.93 -20.02 66.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.242 -178.311 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 90.9 m -86.34 -14.91 42.16 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.21 -176.809 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 30.5 m -114.16 -2.93 10.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.233 -178.78 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 84.1 mt -103.71 11.99 35.26 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.17 170.526 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 4.1 t -60.68 144.09 52.81 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.144 175.035 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 87.9 m-20 -60.17 -39.29 85.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.165 175.867 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -76.95 -36.71 56.32 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.205 -178.879 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 55.7 t80 -57.0 -50.16 73.56 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.239 174.383 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 90.3 m -75.21 -30.07 60.51 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.185 -176.753 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 66.5 tt0 -56.67 -50.83 70.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.221 174.132 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -76.76 -29.11 55.98 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.14 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.402 ' HG ' ' HB2' ' A' ' 39' ' ' PHE . 45.2 tp -53.0 -44.28 67.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.213 173.73 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 97.5 mt -60.75 -40.02 83.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.181 172.462 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 88.6 mt-30 -70.26 -16.15 63.0 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.218 -178.757 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 27.6 m-85 -95.88 1.7 53.19 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.171 176.443 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 93.86 10.2 59.03 Favored Glycine 0 CA--C 1.523 0.584 0 N-CA-C 111.17 -0.772 . . . . 0.0 111.17 168.217 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.402 ' HB2' ' HG ' ' A' ' 34' ' ' LEU . 84.2 m-85 -94.23 134.15 37.0 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.785 0.326 . . . . 0.0 111.269 -178.268 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 35.1 m -126.62 -16.12 3.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.164 -176.034 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 11.6 mpt_? -112.87 128.59 56.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.212 171.134 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 63.7 tp -119.15 105.01 10.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.218 175.773 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 91.8 mt -106.14 116.92 50.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.207 -177.637 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 80.6 mt -119.01 121.41 66.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.255 -174.023 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 19.6 tm0? -94.03 138.4 32.16 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.186 178.229 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 44.9 p90 -142.81 155.06 44.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.217 176.757 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -58.8 -61.86 6.9 Favored Glycine 0 CA--C 1.523 0.57 0 N-CA-C 111.271 -0.732 . . . . 0.0 111.271 -168.259 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 40.1 ptt180 -167.98 140.72 3.14 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.81 0.338 . . . . 0.0 111.22 -179.088 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 95.3 m-20 55.32 38.24 30.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.209 166.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 52.0 m-85 -113.67 18.06 17.76 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.094 171.782 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 76.9 p -75.91 -14.13 60.26 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.238 178.908 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 90.8 p -64.96 -25.76 68.01 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.17 177.377 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 77.2 mm-40 -69.17 -29.97 68.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.179 174.187 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 49.1 m-85 -78.92 -32.21 45.54 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.192 176.649 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -66.82 -39.19 87.62 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.159 173.636 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 65.0 m170 -60.01 -43.4 95.25 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.212 174.4 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 39.6 tp -56.7 -60.42 3.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.203 175.218 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 5.2 p -69.02 -26.58 32.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.258 -169.212 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 71.9 tp60 -71.67 -45.91 60.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.167 178.848 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -71.77 -34.83 69.78 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.183 -178.562 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 11.9 mpt_? -80.04 -27.45 39.42 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.144 -179.627 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 85.02 43.15 6.81 Favored Glycine 0 CA--C 1.523 0.565 0 N-CA-C 111.236 -0.746 . . . . 0.0 111.236 175.25 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -103.62 -164.98 25.28 Favored Glycine 0 CA--C 1.524 0.623 0 N-CA-C 111.171 -0.771 . . . . 0.0 111.171 -179.099 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 97.1 mm-40 -110.6 161.96 15.2 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.859 0.361 . . . . 0.0 111.171 176.821 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 32.9 ptt-85 -149.76 150.01 31.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.228 -178.501 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 37.3 tt0 -167.73 137.2 2.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.173 175.177 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 32.9 t -90.98 130.63 36.88 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.241 175.618 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 86.6 mt-30 -130.46 142.25 50.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.222 -179.272 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -71.61 129.94 39.96 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.224 177.831 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 49.3 mm -83.07 123.81 77.14 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.241 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . 0.405 ' HB2' ' HB3' ' A' ' 74' ' ' GLN . 74.3 Cg_exo -55.44 130.04 38.4 Favored 'Trans proline' 0 N--CA 1.458 -0.601 0 C-N-CA 121.692 1.595 . . . . 0.0 111.147 -179.561 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 96.8 mt -75.74 -39.14 38.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.221 174.02 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 99.4 m-20 -62.73 -40.34 96.89 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.193 -178.913 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . 0.405 ' HB3' ' HB2' ' A' ' 71' ' ' PRO . 64.2 tt0 -85.04 -57.68 3.0 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.246 -178.072 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 77.1 m-85 -89.99 -59.16 2.27 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.187 -175.925 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 120.73 -21.11 8.56 Favored Glycine 0 CA--C 1.524 0.6 0 N-CA-C 111.141 -0.784 . . . . 0.0 111.141 -178.218 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 98.5 m -75.27 142.42 43.33 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.801 0.334 . . . . 0.0 111.229 176.479 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -108.15 5.05 33.77 Favored Glycine 0 CA--C 1.523 0.575 0 N-CA-C 111.186 -0.766 . . . . 0.0 111.186 -173.607 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 44.0 p30 -88.79 -174.68 4.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.788 0.328 . . . . 0.0 111.194 -176.86 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 69.6 p -123.56 74.13 1.24 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.266 -177.745 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -57.01 144.92 32.2 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.205 -174.775 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 77.5 mtp180 -98.73 122.86 42.49 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.193 -174.311 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 28.5 tt0 -90.07 129.98 36.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.143 179.009 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 86.2 m-85 -125.09 142.35 51.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.148 173.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 89.3 t -92.92 124.91 45.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.242 177.305 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 31.1 tp -136.68 145.34 44.64 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.153 -176.525 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 82.4 mmm 69.98 32.23 3.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.233 -179.138 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 96.2 m-20 64.98 28.43 12.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.221 177.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 89.57 9.53 66.51 Favored Glycine 0 CA--C 1.523 0.556 0 N-CA-C 111.183 -0.767 . . . . 0.0 111.183 175.29 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -72.56 -24.97 61.19 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.834 0.349 . . . . 0.0 111.204 177.535 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.493 ' C ' HD12 ' A' ' 91' ' ' LEU . 4.7 pp -149.03 160.42 43.34 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.186 171.527 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 83.5 mttt -106.29 144.74 32.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.145 177.486 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 80.5 t -115.55 114.93 47.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.128 174.616 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 31.8 mm -110.78 111.99 38.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.261 -175.791 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -88.81 128.92 9.37 Favored Glycine 0 CA--C 1.524 0.6 0 N-CA-C 111.166 -0.773 . . . . 0.0 111.166 179.224 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 25.9 m-85 -112.24 122.88 48.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.822 0.344 . . . . 0.0 111.182 177.048 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 43.5 t0 -103.79 94.91 5.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.239 177.136 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 37.7 p90 -167.03 179.88 4.98 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.194 175.06 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 93.5 p -84.99 -128.15 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.22 -174.763 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 80.9 p -111.88 1.3 16.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.196 -177.9 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -71.82 -33.27 68.37 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.174 -170.347 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 72.0 mtm -116.33 16.17 15.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.215 -168.891 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 77.7 mt-30 -74.93 -35.04 62.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.22 -178.3 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 73.7 m -64.03 -31.41 72.59 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.173 178.691 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 94.5 mt -59.44 -46.98 92.27 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.205 178.496 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 49.6 mm -77.57 -36.76 23.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.179 -176.76 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 88.3 mtm-85 -60.01 -37.21 79.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.15 177.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -62.22 -30.08 70.84 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.216 175.455 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 109' ' ' TYR . . . . . . . . . . . . . 19.4 m-30 -92.96 -18.49 22.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.217 -174.834 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 74.8 p -74.15 172.13 12.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.146 -175.242 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 48.1 m-20 -112.12 -32.02 6.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.135 175.064 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 60.1 tp -139.5 136.43 34.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.186 174.588 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 85.7 t -114.04 122.67 68.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.205 -176.321 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 114' ' ' ILE . . . . . 0.459 HG12 ' HB ' ' A' ' 133' ' ' ILE . 92.9 mt -107.92 123.76 63.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.232 167.503 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 15.4 t -130.37 -176.6 4.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.191 177.848 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 73.7 m80 -133.5 145.05 49.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.201 -176.73 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -55.25 134.32 49.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.184 178.938 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 110.67 40.69 1.3 Allowed Glycine 0 CA--C 1.522 0.519 0 N-CA-C 111.212 -0.755 . . . . 0.0 111.212 -179.571 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 119' ' ' THR . . . . . 0.655 ' O ' ' C ' ' A' ' 120' ' ' GLY . 12.9 t -173.87 24.59 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.822 0.344 . . . . 0.0 111.211 175.897 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 120' ' ' GLY . . . . . 0.655 ' C ' ' O ' ' A' ' 119' ' ' THR . . . 3.45 63.86 0.0 OUTLIER Glycine 0 CA--C 1.523 0.564 0 N-CA-C 111.176 -0.77 . . . . 0.0 111.176 -174.571 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 121' ' ' SER . . . . . 0.63 ' N ' ' O ' ' A' ' 119' ' ' THR . 80.6 p -93.22 3.64 55.32 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.778 0.323 . . . . 0.0 111.221 177.905 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 122' ' ' ILE . . . . . . . . . . . . . 35.3 pt -67.38 -19.9 25.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.111 -172.613 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 64.1 tp -56.56 -46.03 80.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.113 -173.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 74.5 m-20 -59.95 -59.78 4.88 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.141 -173.563 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 10.4 t -54.55 -36.48 64.36 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.206 -179.13 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 4.0 mp -63.51 -51.13 66.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.212 176.644 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 20.1 ptt180 -74.88 -15.02 60.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.192 -175.749 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 97.9 mt -92.52 -7.43 47.35 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.184 178.701 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 84.0 m-20 64.43 35.04 9.84 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.221 -176.618 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 94.3 mttt -109.71 149.91 40.56 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.173 -178.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 38.5 Cg_endo -64.04 138.41 62.08 Favored 'Trans proline' 0 N--CA 1.458 -0.562 0 C-N-CA 121.639 1.559 . . . . 0.0 111.179 177.005 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 65.2 tp -128.5 126.16 39.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.15 -171.679 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 133' ' ' ILE . . . . . 0.459 ' HB ' HG12 ' A' ' 114' ' ' ILE . 62.0 mt -107.99 125.96 64.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.252 171.085 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 97.5 t -125.04 128.45 73.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.173 179.138 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 135' ' ' CYS . . . . . . . . . . . . . 95.9 m -89.07 124.94 34.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.265 175.038 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 97.2 t -94.07 114.39 30.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.183 -177.798 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 27.2 p30 . . . . . 0 C--N 1.329 -0.326 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.184 -174.344 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.781 0.324 . . . . 0.0 111.196 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 95.1 m-20 -65.06 -35.07 79.98 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.193 178.563 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 151' ' ' LYS . . . . . . . . . . . . . 70.0 mmtt -77.6 -28.42 51.53 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.237 -179.661 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 152' ' ' PHE . . . . . . . . . . . . . 16.0 m-30 -61.44 -36.44 80.4 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.204 169.244 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 153' ' ' VAL . . . . . . . . . . . . . 79.3 t -75.01 -45.32 43.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.246 178.308 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 94.3 mt-10 -63.09 -34.51 77.76 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.207 178.585 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 155' ' ' LEU . . . . . . . . . . . . . 46.2 tp -67.63 -48.25 67.26 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.216 172.071 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . 85.42 10.22 77.64 Favored Glycine 0 CA--C 1.524 0.629 0 N-CA-C 111.222 -0.751 . . . . 0.0 111.222 168.684 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 157' ' ' TYR . . . . . . . . . . . . . 79.5 m-85 -124.98 3.57 8.02 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.775 0.321 . . . . 0.0 111.163 -179.196 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 158' ' ' VAL . . . . . . . . . . . . . 58.8 t -123.94 125.0 70.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.232 177.719 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 159' ' ' TRP . . . . . . . . . . . . . 95.4 m95 -82.74 133.3 35.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.189 179.393 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 160' ' ' SER . . . . . . . . . . . . . 40.5 t -102.31 109.28 20.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.169 178.502 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 161' ' ' CYS . . . . . . . . . . . . . 78.6 m -125.04 -175.22 3.24 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.216 -175.165 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -100.11 146.43 31.92 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.262 178.195 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 163' ' ' PRO . . . . . . . . . . . . . 89.3 Cg_endo -77.24 64.79 7.92 Favored 'Trans proline' 0 N--CA 1.457 -0.636 0 C-N-CA 121.801 1.667 . . . . 0.0 111.143 179.723 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 164' ' ' THR . . . . . . . . . . . . . 14.6 t -162.49 175.77 11.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.151 179.557 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 165' ' ' GLU . . . . . . . . . . . . . 89.3 tt0 -53.99 -45.95 71.57 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.156 -175.804 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 166' ' ' THR . . . . . . . . . . . . . 95.0 m -64.55 -48.9 73.32 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.177 -176.701 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 167' ' ' GLY . . . . . . . . . . . . . . . -66.21 -35.2 90.06 Favored Glycine 0 CA--C 1.523 0.571 0 N-CA-C 111.224 -0.75 . . . . 0.0 111.224 -177.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 168' ' ' LEU . . . . . . . . . . . . . 64.6 mt -69.36 -45.2 69.96 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.846 0.355 . . . . 0.0 111.229 -176.256 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 9.4 tp -75.11 -27.12 19.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.219 178.465 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 170' ' ' ALA . . . . . . . . . . . . . . . -69.55 -35.54 75.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.22 174.179 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 171' ' ' GLY . . . . . . . . . . . . . . . -63.63 -42.2 98.83 Favored Glycine 0 CA--C 1.524 0.609 0 N-CA-C 111.209 -0.757 . . . . 0.0 111.209 175.532 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 62.7 mt -61.4 -42.65 99.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.859 0.361 . . . . 0.0 111.195 175.698 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 173' ' ' ARG . . . . . . . . . . . . . 37.0 ttm180 -57.51 -46.41 83.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.202 174.511 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -64.99 -40.26 94.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.255 -177.382 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 60.7 p -65.05 -24.93 67.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.217 -178.18 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 176' ' ' GLN . . . . . . . . . . . . . 87.5 mm-40 -99.66 -18.56 17.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.162 -179.183 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 177' ' ' THR . . . . . . . . . . . . . 81.7 m -72.6 -46.3 54.88 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.252 175.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 178' ' ' GLU . . . . . . . . . . . . . 93.8 mt-10 -121.71 140.7 51.98 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.217 179.625 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 179' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -91.96 129.88 37.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.23 -178.225 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 180' ' ' LEU . . . . . . . . . . . . . 86.3 mt . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.167 176.256 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 17.7 mt-10 . . . . . 0 CA--C 1.524 -0.054 0 CA-C-O 120.787 0.327 . . . . 0.0 111.188 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . 0.535 ' HB2' ' HA ' ' A' ' 39' ' ' PHE . 90.8 mttt -67.53 136.52 54.67 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.169 178.773 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -127.87 135.29 49.82 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.183 -174.127 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 97.1 mt -86.4 140.63 29.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.226 167.663 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 47.4 t80 -116.86 102.71 9.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.194 175.39 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 71.6 t -104.81 123.58 58.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.176 -172.316 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 69.8 p -115.32 141.43 48.04 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.267 174.814 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 82.5 m -113.48 144.94 41.99 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.186 -174.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -111.71 168.58 12.82 Favored Glycine 0 CA--C 1.523 0.556 0 N-CA-C 111.214 -0.754 . . . . 0.0 111.214 -179.299 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -87.35 54.76 3.26 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.827 0.346 . . . . 0.0 111.166 -173.133 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . 0.401 ' OG1' ' NE2' ' A' ' 116' ' ' HIS . 29.4 p -128.5 -72.66 0.6 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.182 178.386 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 84.8 t -84.1 133.16 46.0 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.168 172.58 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 86.9 Cg_exo -51.36 141.8 39.48 Favored 'Trans proline' 0 N--CA 1.457 -0.627 0 C-N-CA 121.643 1.562 . . . . 0.0 111.222 -179.418 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . 0.542 ' N ' ' CD ' ' A' ' 19' ' ' PRO . 14.4 m-30 -63.39 -43.13 78.41 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.203 -173.089 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . 0.542 ' CD ' ' N ' ' A' ' 18' ' ' PHE . 71.1 Cg_exo -54.91 -31.99 76.0 Favored 'Trans proline' 0 N--CA 1.459 -0.556 0 C-N-CA 121.636 1.558 . . . . 0.0 111.252 178.441 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -82.09 -24.66 35.06 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.157 -179.909 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 83.4 mt -75.8 -23.91 55.89 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.204 -179.135 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 27.3 m -99.34 -11.34 8.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.217 -176.854 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 72.9 p -63.48 -31.96 73.28 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.244 -178.26 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 26.1 p -80.58 -41.95 23.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.213 178.615 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 1.4 p -74.4 -19.97 17.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.215 -174.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 92.1 mt -100.1 5.41 44.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.171 -178.81 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 55.0 p -68.03 152.66 45.17 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.264 -178.073 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 94.7 m-20 -64.94 -34.96 79.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.222 179.059 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -69.87 -45.67 67.21 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.269 -179.567 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 78.7 t80 -59.65 -49.44 77.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.184 178.858 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 90.1 m -69.13 -39.87 78.63 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.187 -176.006 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 66.8 tt0 -55.74 -41.89 74.58 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.159 176.619 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 65.6 mm-40 -76.44 -38.2 55.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.224 176.793 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 36.7 tp -57.45 -42.53 82.68 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.16 -173.768 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 42.7 pt -73.61 -7.91 10.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.258 -174.811 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 68.4 mt-30 -93.92 -0.67 55.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.166 178.164 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 72.1 m-85 -109.34 -2.46 17.81 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.266 176.285 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 99.56 -5.86 58.8 Favored Glycine 0 CA--C 1.523 0.579 0 N-CA-C 111.224 -0.75 . . . . 0.0 111.224 178.586 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.535 ' HA ' ' HB2' ' A' ' 6' ' ' LYS . 51.8 m-85 -80.73 124.64 29.21 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.888 0.375 . . . . 0.0 111.208 -178.809 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 85.4 t -122.17 -42.23 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.156 -177.713 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 85.9 mtt180 -91.26 137.95 31.97 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.185 -172.082 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 56.7 tp -129.48 109.24 10.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.224 -176.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 3.0 mp -94.65 106.25 17.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.14 179.167 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 45.6 mm -101.99 102.39 13.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.171 -179.715 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 21.4 tm0? -77.53 127.7 32.95 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.197 174.02 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 47.3 p90 -155.05 158.66 39.43 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.178 171.879 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -111.09 -5.51 26.79 Favored Glycine 0 CA--C 1.524 0.629 0 N-CA-C 111.15 -0.78 . . . . 0.0 111.15 178.723 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -101.9 124.13 47.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.853 0.359 . . . . 0.0 111.231 -179.606 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 56.5 t30 -77.37 68.52 3.49 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.214 -175.782 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 53.8 p90 -98.6 30.49 3.24 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.193 167.917 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 91.5 p -66.36 -15.44 63.27 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.146 -173.42 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 87.5 p -65.12 -25.04 67.6 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.192 175.154 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 77.2 mm-40 -71.16 -35.17 71.54 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.163 176.343 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 52.2 m-85 -65.47 -38.77 90.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.214 171.712 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . 0.441 ' HG3' ' HE ' ' A' ' 65' ' ' ARG . 79.0 tt0 -66.99 -36.58 82.48 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.15 178.121 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 34.7 m-70 -70.1 -30.0 67.11 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.192 175.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 57.3 tp -64.55 -46.77 81.38 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.2 179.182 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 28.1 m -72.29 -23.99 21.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.212 -179.515 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 82.6 mt-30 -68.51 -38.73 81.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.179 172.704 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -68.6 -32.3 72.09 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.224 177.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 74.7 mmt-85 -95.0 -16.58 22.64 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.238 -174.037 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 82.7 32.2 27.84 Favored Glycine 0 CA--C 1.523 0.575 0 N-CA-C 111.228 -0.749 . . . . 0.0 111.228 176.193 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -102.81 -164.67 26.02 Favored Glycine 0 CA--C 1.522 0.528 0 N-CA-C 111.216 -0.753 . . . . 0.0 111.216 -179.509 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 95.4 mm-40 -119.72 177.39 4.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.811 0.339 . . . . 0.0 111.151 179.834 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . 0.441 ' HE ' ' HG3' ' A' ' 55' ' ' GLU . 0.0 OUTLIER -167.03 150.08 6.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.176 178.401 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 41.3 tt0 -152.83 131.96 12.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.179 -177.593 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 35.3 t -78.75 131.17 36.46 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.205 172.697 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 84.9 mt-30 -136.56 145.01 44.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.202 -175.352 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -84.73 124.98 32.13 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.258 172.908 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.486 ' HB ' ' HB2' ' A' ' 77' ' ' CYS . 48.0 mm -112.39 134.82 21.47 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.273 -171.561 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 76.9 Cg_exo -55.44 155.52 20.49 Favored 'Trans proline' 0 N--CA 1.457 -0.62 0 C-N-CA 121.68 1.586 . . . . 0.0 111.239 -176.375 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 96.6 mt -93.09 -47.35 13.77 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.235 176.748 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 99.5 m-20 -64.97 -43.27 93.17 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.147 -177.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 61.9 tp60 -78.17 -31.87 49.88 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.207 -176.163 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 95.7 m-85 -124.93 -59.96 1.39 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.189 -174.507 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 119.98 23.21 3.06 Favored Glycine 0 CA--C 1.523 0.552 0 N-CA-C 111.208 -0.757 . . . . 0.0 111.208 179.587 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' CYS . . . . . 0.486 ' HB2' ' HB ' ' A' ' 70' ' ' ILE . 66.4 m -115.1 165.96 12.34 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.766 0.317 . . . . 0.0 111.202 -172.168 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -104.3 -140.44 10.54 Favored Glycine 0 CA--C 1.523 0.588 0 N-CA-C 111.196 -0.762 . . . . 0.0 111.196 175.859 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 52.8 p-10 -106.61 22.94 15.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.823 0.344 . . . . 0.0 111.192 178.724 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . 0.432 ' HB ' ' HB3' ' A' ' 97' ' ' ASP . 68.2 p -115.65 38.46 3.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.155 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -109.95 138.27 46.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.175 174.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 82.9 mtp180 -128.96 122.0 29.22 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.229 -177.766 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 63.9 tt0 -87.33 135.62 33.25 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.118 -179.89 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 95.1 m-85 -129.54 132.71 46.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.218 -177.635 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 96.0 t -103.55 117.92 49.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.187 -174.689 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 80.7 mt -129.61 167.55 17.78 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.157 -177.155 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 94.7 mmm 59.63 30.43 20.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.16 177.225 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 96.4 m-20 64.97 33.76 9.51 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.201 178.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 95.45 -2.16 64.89 Favored Glycine 0 CA--C 1.523 0.551 0 N-CA-C 111.238 -0.745 . . . . 0.0 111.238 176.164 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 99.7 mttt -83.6 -14.63 51.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.831 0.348 . . . . 0.0 111.21 -178.902 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.432 ' HG ' HG23 ' A' ' 93' ' ' VAL . 39.4 tp -126.02 126.21 43.91 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.218 178.634 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -112.13 92.57 4.08 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.242 -179.093 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . 0.432 HG23 ' HG ' ' A' ' 91' ' ' LEU . 99.2 t -97.86 119.65 46.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.218 -177.609 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 72.0 mt -118.74 119.88 62.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.122 179.638 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -87.29 134.61 12.59 Favored Glycine 0 CA--C 1.522 0.497 0 N-CA-C 111.253 -0.739 . . . . 0.0 111.253 178.842 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 96.9 m-85 -120.17 101.58 7.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.801 0.334 . . . . 0.0 111.186 -178.652 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' ASP . . . . . 0.432 ' HB3' ' HB ' ' A' ' 80' ' ' THR . 55.4 t0 -84.91 75.22 10.39 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.17 -175.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 45.7 p90 -176.17 172.97 2.26 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.142 174.276 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 86.6 p -64.85 -176.88 0.29 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.198 -177.398 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 47.4 p -75.05 70.35 2.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.147 -177.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -97.93 -3.12 39.09 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.2 179.431 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 71.8 mtm -82.15 65.05 7.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.243 -174.285 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 97.7 mm-40 -90.01 -4.86 57.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.257 -169.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 38.3 m -98.3 -38.38 9.28 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.182 173.046 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 90.1 mt -58.57 -48.66 84.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.258 171.613 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 13.1 tt -63.96 -13.88 14.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.232 -175.39 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 78.7 ttt-85 -87.13 -63.66 1.27 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.253 -178.415 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 58.5 m-20 -106.17 -34.77 7.42 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.209 -167.515 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 109' ' ' TYR . . . . . . . . . . . . . 76.5 m-85 -80.4 -41.9 23.75 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.192 -173.251 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 39.4 t -61.76 136.08 57.85 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.219 178.397 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 30.5 m-20 -116.09 -28.37 6.63 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.174 176.136 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 10.0 tt -138.62 130.92 28.6 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.166 172.38 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 84.3 t -95.1 126.65 47.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.212 -173.551 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 114' ' ' ILE . . . . . 0.43 HG12 ' HB ' ' A' ' 133' ' ' ILE . 84.1 mt -121.24 121.53 65.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.164 174.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 40.0 m -127.04 138.37 53.22 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.203 -179.72 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 116' ' ' HIS . . . . . 0.401 ' NE2' ' OG1' ' A' ' 15' ' ' THR . 74.8 t60 -93.58 131.48 38.81 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.204 173.041 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -61.22 126.3 26.86 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.257 179.057 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 121.12 21.6 3.09 Favored Glycine 0 CA--C 1.523 0.533 0 N-CA-C 111.234 -0.746 . . . . 0.0 111.234 -175.772 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 60.3 m -114.61 -48.23 2.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.745 0.307 . . . . 0.0 111.209 -175.441 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 102.07 -39.11 2.88 Favored Glycine 0 CA--C 1.522 0.514 0 N-CA-C 111.252 -0.739 . . . . 0.0 111.252 -177.04 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 82.4 p -70.48 -15.01 62.76 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.771 0.32 . . . . 0.0 111.183 179.669 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 122' ' ' ILE . . . . . . . . . . . . . 19.6 tt -51.13 -30.04 9.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.195 173.463 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 97.4 mt -65.0 -27.97 69.19 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.224 -176.333 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 68.6 m-20 -104.07 -23.32 13.32 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.164 -178.075 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 52.4 p -75.35 -18.05 60.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.222 -176.146 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 85.4 mt -93.87 -0.48 55.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.229 -178.065 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 51.6 ptt85 -118.1 40.08 3.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.157 178.762 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 90.6 mt -107.67 5.08 26.48 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.196 -176.07 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 96.4 m-20 64.97 35.31 8.3 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.197 -178.393 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 50.8 mttm -127.54 158.2 70.61 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.225 177.062 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_exo -53.82 138.75 68.97 Favored 'Trans proline' 0 N--CA 1.458 -0.614 0 C-N-CA 121.722 1.615 . . . . 0.0 111.255 173.444 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 64.2 mt -122.54 124.46 43.59 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.187 -165.493 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 133' ' ' ILE . . . . . 0.43 ' HB ' HG12 ' A' ' 114' ' ' ILE . 82.7 mt -123.71 129.6 74.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.203 167.93 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 71.9 t -124.91 131.75 72.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.136 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 135' ' ' CYS . . . . . . . . . . . . . 52.7 t -108.25 124.75 50.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.174 179.198 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 28.7 m -78.63 168.86 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.204 -179.812 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 25.2 p30 . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.206 -174.297 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.82 0.343 . . . . 0.0 111.197 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 93.4 m-20 -66.58 -37.64 85.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.217 178.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 151' ' ' LYS . . . . . . . . . . . . . 96.9 mttt -67.65 -40.63 84.55 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.198 176.749 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 152' ' ' PHE . . . . . . . . . . . . . 12.1 m-30 -59.91 -46.53 89.05 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.228 179.007 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 153' ' ' VAL . . . . . . . . . . . . . 75.3 t -73.63 -41.97 55.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.211 -179.286 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -55.58 -44.29 76.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.189 178.924 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 155' ' ' LEU . . . . . . . . . . . . . 95.4 mt -73.83 -41.43 62.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.128 178.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . 81.17 19.5 66.85 Favored Glycine 0 CA--C 1.523 0.555 0 N-CA-C 111.236 -0.746 . . . . 0.0 111.236 166.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 157' ' ' TYR . . . . . . . . . . . . . 79.8 m-85 -116.63 12.09 14.89 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.768 0.318 . . . . 0.0 111.216 179.126 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 158' ' ' VAL . . . . . . . . . . . . . 9.0 p -160.0 134.12 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.2 178.639 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 159' ' ' TRP . . . . . 0.495 ' HA ' ' CE3' ' A' ' 159' ' ' TRP . 3.7 m95 -79.31 139.99 37.67 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.216 176.511 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 160' ' ' SER . . . . . . . . . . . . . 46.7 t -100.7 110.74 22.88 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.199 177.91 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 161' ' ' CYS . . . . . . . . . . . . . 85.5 m -110.14 149.5 29.98 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.162 -179.415 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -93.6 158.4 36.79 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.188 175.695 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 163' ' ' PRO . . . . . . . . . . . . . 85.5 Cg_endo -74.94 66.1 5.98 Favored 'Trans proline' 0 N--CA 1.458 -0.585 0 C-N-CA 121.687 1.592 . . . . 0.0 111.229 176.863 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 164' ' ' THR . . . . . . . . . . . . . 13.7 t -150.73 179.25 8.36 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.208 -177.02 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 165' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -66.19 -32.5 73.96 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.267 -168.399 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 166' ' ' THR . . . . . . . . . . . . . 75.2 p -106.77 15.96 24.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.176 -176.413 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 167' ' ' GLY . . . . . . . . . . . . . . . -64.67 -51.75 48.95 Favored Glycine 0 CA--C 1.523 0.551 0 N-CA-C 111.21 -0.756 . . . . 0.0 111.21 179.666 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 168' ' ' LEU . . . . . . . . . . . . . 79.3 mt -80.32 -24.08 40.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.817 0.341 . . . . 0.0 111.192 -178.554 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 93.0 mt -64.62 -41.92 93.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.177 175.513 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 170' ' ' ALA . . . . . . . . . . . . . . . -62.53 -44.37 96.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.144 176.636 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 171' ' ' GLY . . . . . . . . . . . . . . . -66.61 -38.78 93.55 Favored Glycine 0 CA--C 1.522 0.53 0 N-CA-C 111.153 -0.779 . . . . 0.0 111.153 178.792 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 62.7 tp -63.0 -43.42 98.85 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.761 0.315 . . . . 0.0 111.184 179.095 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 173' ' ' ARG . . . . . . . . . . . . . 97.1 mtt180 -75.19 -28.28 59.95 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.185 178.112 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -64.04 -34.63 78.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.201 177.121 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 75.4 m -61.63 -30.12 70.5 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.214 176.559 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 176' ' ' GLN . . . . . . . . . . . . . 66.6 tt0 -75.2 -39.18 60.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.213 175.572 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 177' ' ' THR . . . . . . . . . . . . . 92.4 m -64.6 -53.82 41.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.235 -179.761 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 178' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -129.25 144.55 51.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.306 176.891 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 179' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -62.12 124.96 22.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.265 -178.759 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 180' ' ' LEU . . . . . . . . . . . . . 66.0 tp . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.234 -177.36 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 95.2 mt-10 . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.809 0.338 . . . . 0.0 111.183 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -85.25 159.91 19.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.181 166.468 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -100.48 114.1 27.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.201 -171.84 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 49.9 tp -102.45 119.91 39.62 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.218 170.518 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 40.2 t80 -104.68 120.17 40.72 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.174 178.691 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 97.1 t -114.85 128.89 71.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.148 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 11.8 t -138.75 150.2 45.87 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.194 178.776 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 72.4 m -125.11 155.0 40.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.189 -173.824 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -79.24 173.79 55.27 Favored Glycine 0 CA--C 1.524 0.612 0 N-CA-C 111.169 -0.772 . . . . 0.0 111.169 170.914 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -93.37 -9.76 37.62 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.736 0.303 . . . . 0.0 111.152 -178.581 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 98.7 m -65.4 -43.88 89.22 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.189 -177.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 66.1 t -112.68 133.98 21.77 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.17 -178.633 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 88.3 Cg_exo -51.71 142.74 40.11 Favored 'Trans proline' 0 N--CA 1.459 -0.545 0 C-N-CA 121.667 1.578 . . . . 0.0 111.229 -179.194 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . 0.537 ' HB3' ' HD3' ' A' ' 19' ' ' PRO . 81.6 t80 -58.15 -43.82 98.7 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.22 -177.755 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . 0.537 ' HD3' ' HB3' ' A' ' 18' ' ' PHE . 83.0 Cg_exo -53.89 -31.36 62.44 Favored 'Trans proline' 0 N--CA 1.459 -0.532 0 C-N-CA 121.595 1.53 . . . . 0.0 111.224 -179.029 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 97.4 mttt -85.56 -31.66 22.56 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.211 -176.397 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 92.0 mt -82.04 -33.98 29.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.24 -179.294 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 6.6 p -70.96 -17.27 20.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.148 -175.677 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 85.4 p -63.69 -17.21 62.74 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.156 -178.201 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 99.4 m -83.75 -15.01 50.17 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.155 -178.389 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 26.9 m -119.97 12.29 6.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.249 -177.486 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 94.2 mt -108.57 2.3 22.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.188 174.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 3.9 t -60.1 140.0 57.15 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.174 177.282 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 98.1 m-20 -63.24 -35.11 79.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.22 175.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 77.8 mm-40 -75.12 -36.67 61.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.156 177.662 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.412 ' CE2' HD11 ' A' ' 34' ' ' LEU . 82.6 t80 -55.97 -51.09 68.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.206 175.71 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 98.5 m -76.45 -29.06 56.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.19 -176.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 68.9 tp60 -65.1 -31.49 72.72 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.153 177.688 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 69.6 mm-40 -79.7 -38.25 33.91 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.244 179.05 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.412 HD11 ' CE2' ' A' ' 30' ' ' PHE . 36.3 mt -54.54 -41.26 69.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.232 -178.761 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 48.1 pt -76.41 -7.57 10.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.203 -177.168 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 65.6 mt-30 -94.86 -5.67 44.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.258 173.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 30.1 m-85 -110.99 -10.36 14.38 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.179 172.166 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 94.66 33.55 6.69 Favored Glycine 0 CA--C 1.524 0.631 0 N-CA-C 111.228 -0.749 . . . . 0.0 111.228 173.488 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 84.4 m-85 -99.19 130.2 45.48 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.822 0.344 . . . . 0.0 111.208 174.594 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 81.7 t -133.15 -40.03 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.233 177.288 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 97.1 mtt180 -82.97 109.95 17.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.184 -173.164 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.455 HD23 HG22 ' A' ' 93' ' ' VAL . 63.3 tp -107.68 111.28 23.41 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.187 -178.42 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 84.3 mt -101.83 117.96 47.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.135 176.815 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 92.8 mt -112.8 123.33 68.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.22 -173.895 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 66.5 tt0 -98.75 145.04 27.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.219 176.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 46.6 p90 -153.66 163.73 39.5 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.224 172.161 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -106.28 -135.77 8.16 Favored Glycine 0 CA--C 1.523 0.58 0 N-CA-C 111.197 -0.761 . . . . 0.0 111.197 -173.485 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 98.1 mtt180 -109.09 -32.52 7.2 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.813 0.339 . . . . 0.0 111.21 179.206 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 99.3 m-20 -72.4 -17.02 61.84 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.188 177.328 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 33.1 p90 -149.02 155.03 40.19 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.157 178.268 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 91.4 p -144.39 160.31 41.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.173 -171.795 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 40.8 t -107.62 119.33 39.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.214 179.167 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 88.1 tt0 -144.89 120.67 10.55 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.154 -179.605 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 76.5 m-85 -121.41 26.8 8.65 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.186 -177.503 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 69.1 mm-40 -54.35 -52.89 60.16 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.178 -179.583 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 86.3 t60 -66.11 -42.63 88.96 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.251 -179.402 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 66.4 tp -53.98 -51.95 62.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.206 -179.585 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 54.8 t -69.46 -40.04 79.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.228 -177.484 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 71.6 tp60 -64.67 -35.06 79.82 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.185 179.509 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -69.62 -42.33 74.49 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.185 177.008 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 94.9 mtt-85 -73.52 -24.27 60.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.196 179.65 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 84.99 31.94 22.1 Favored Glycine 0 CA--C 1.523 0.563 0 N-CA-C 111.262 -0.735 . . . . 0.0 111.262 -179.859 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -94.9 -162.2 34.63 Favored Glycine 0 CA--C 1.522 0.516 0 N-CA-C 111.25 -0.74 . . . . 0.0 111.25 -179.216 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 97.3 mm-40 -113.73 161.8 17.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.738 0.304 . . . . 0.0 111.241 179.511 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 33.2 ptt-85 -160.01 144.78 14.88 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.226 176.046 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -162.45 143.49 10.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.24 -171.519 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 75.0 m -83.19 124.96 31.04 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.175 171.805 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 80.1 mt-30 -133.47 153.32 51.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.202 -175.063 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -113.05 104.85 12.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.182 -174.151 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 65.9 mt -119.97 128.86 25.64 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.215 -175.034 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 77.7 Cg_exo -52.47 117.92 4.14 Favored 'Trans proline' 0 N--CA 1.458 -0.568 0 C-N-CA 121.658 1.572 . . . . 0.0 111.22 179.899 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 94.6 mt -63.83 -41.88 94.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.21 176.025 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 16.0 p-10 -76.53 -11.4 59.87 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.205 -169.303 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 98.6 mm-40 -110.06 -30.86 7.59 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.217 -177.411 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 99.0 m-85 -121.12 -35.03 3.38 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.262 -174.149 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 97.95 -1.37 59.45 Favored Glycine 0 CA--C 1.524 0.602 0 N-CA-C 111.199 -0.761 . . . . 0.0 111.199 -176.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 72.3 m -94.08 158.07 15.79 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.796 0.331 . . . . 0.0 111.203 177.86 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -65.0 140.6 42.21 Favored Glycine 0 CA--C 1.524 0.632 0 N-CA-C 111.215 -0.754 . . . . 0.0 111.215 -168.039 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 92.7 m-20 -65.53 -26.22 67.79 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.783 0.325 . . . . 0.0 111.175 177.11 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 66.6 p -135.01 69.94 1.44 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.185 169.303 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -95.93 156.11 16.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.18 -168.634 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 22.3 tpt180 -100.04 112.14 24.44 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.229 173.795 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' GLN . . . . . 0.459 ' HA ' ' O ' ' A' ' 93' ' ' VAL . 32.9 tt0 -93.13 133.13 36.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.21 -176.427 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' TYR . . . . . 0.483 ' HB2' ' HB ' ' A' ' 93' ' ' VAL . 98.5 m-85 -121.14 139.99 52.6 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.185 173.892 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 91.6 t -102.5 113.97 40.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.211 -179.511 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 93.5 mt -123.88 166.36 15.77 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.245 179.197 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 98.6 mmm 60.52 30.02 19.44 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.246 176.503 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 96.4 m-20 64.98 34.24 9.1 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.246 177.929 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 94.84 -3.56 67.69 Favored Glycine 0 CA--C 1.523 0.555 0 N-CA-C 111.192 -0.763 . . . . 0.0 111.192 176.248 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 99.7 mttt -80.08 -19.87 46.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.872 0.367 . . . . 0.0 111.21 -178.897 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 69.0 tp -119.73 118.8 31.85 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.184 174.379 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -104.06 99.2 8.94 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.151 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . 0.483 ' HB ' ' HB2' ' A' ' 84' ' ' TYR . 58.1 t -88.11 127.59 41.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.172 -171.839 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 67.8 mt -124.96 95.59 3.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.22 -178.073 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -89.7 131.18 10.59 Favored Glycine 0 CA--C 1.524 0.628 0 N-CA-C 111.184 -0.766 . . . . 0.0 111.184 179.78 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 82.8 t80 -166.34 143.43 5.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.822 0.344 . . . . 0.0 111.155 176.756 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 60.3 t0 -77.79 103.71 7.89 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.2 177.631 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 95.3 m-85 -95.91 149.98 20.94 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.208 -179.353 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 82.3 p -96.1 175.34 6.5 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.211 172.701 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 87.0 m -63.18 -33.62 75.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.192 176.201 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -65.03 -29.17 70.05 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.168 173.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 64.6 mtt -84.42 -21.78 30.63 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.182 177.598 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 93.5 mt-30 -66.69 -39.14 87.97 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.216 171.481 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 86.7 p -69.37 -15.05 63.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.188 177.328 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 96.6 mt -88.91 -46.77 15.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.22 173.648 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 87.2 mt -65.2 -30.24 49.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.249 -176.41 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 39.2 ptt180 -61.07 -19.32 61.27 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.209 179.124 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 71.5 m-20 -89.75 -18.72 25.8 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.152 176.913 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 109' ' ' TYR . . . . . . . . . . . . . 59.5 m-85 -119.97 67.23 0.82 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.225 -179.84 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 43.4 t -156.69 143.25 18.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.223 -177.418 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 60.9 m-20 -109.73 -31.66 7.37 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.192 174.756 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 54.7 tp -141.44 135.58 30.45 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.261 174.561 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 97.7 t -112.81 138.67 41.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.156 175.699 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 93.9 mt -121.84 129.53 75.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.23 171.42 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 32.4 t -118.94 119.78 35.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.217 -174.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 98.5 m-70 -98.07 119.64 37.06 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.24 -179.057 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . 54.19 44.25 29.41 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.207 175.283 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -166.7 157.46 29.95 Favored Glycine 0 CA--C 1.524 0.596 0 N-CA-C 111.181 -0.768 . . . . 0.0 111.181 178.857 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 69.4 p -131.83 -6.55 3.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.726 0.298 . . . . 0.0 111.168 179.898 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -64.52 -29.62 75.63 Favored Glycine 0 CA--C 1.523 0.564 0 N-CA-C 111.159 -0.776 . . . . 0.0 111.159 -178.663 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 82.6 p -71.32 -20.02 62.24 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.793 0.33 . . . . 0.0 111.155 -179.72 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 122' ' ' ILE . . . . . 0.524 ' HA ' HD13 ' A' ' 132' ' ' LEU . 94.8 mt -64.95 -33.44 63.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.169 -177.081 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 61.4 tp -46.49 -52.39 13.36 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.201 -178.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 90.9 m-20 -68.43 -45.66 71.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.146 -176.715 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 23.0 t -61.98 -57.52 11.38 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.208 -169.581 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 73.6 mt -73.66 -26.36 60.71 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.257 -173.634 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 77.2 ttt180 -63.42 -29.99 71.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.136 175.176 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 88.8 mt -97.26 9.47 42.16 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.247 177.345 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 96.3 m-20 65.01 35.06 8.37 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.152 178.047 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 130' ' ' LYS . . . . . 0.422 ' HA ' ' HD3' ' A' ' 131' ' ' PRO . 95.9 mttt -110.41 137.75 20.74 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.191 179.68 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 131' ' ' PRO . . . . . 0.422 ' HD3' ' HA ' ' A' ' 130' ' ' LYS . 50.3 Cg_exo -60.67 143.65 99.44 Favored 'Trans proline' 0 N--CA 1.458 -0.59 0 C-N-CA 121.717 1.611 . . . . 0.0 111.227 -176.732 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 132' ' ' LEU . . . . . 0.524 HD13 ' HA ' ' A' ' 122' ' ' ILE . 9.0 tt -137.57 138.91 40.06 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.177 172.185 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 68.0 mt -116.77 132.14 67.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.164 177.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 89.7 t -95.83 100.12 10.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.159 173.383 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 135' ' ' CYS . . . . . . . . . . . . . 88.1 m -98.2 128.36 44.63 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.228 176.3 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 35.9 m -125.27 157.85 33.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.241 -179.117 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 53.3 p30 . . . . . 0 C--N 1.328 -0.345 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.201 179.632 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.814 0.34 . . . . 0.0 111.184 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 85.4 m-20 -51.18 -45.11 61.68 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.209 -174.737 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 151' ' ' LYS . . . . . 0.457 ' HD3' ' HA ' ' A' ' 151' ' ' LYS . 48.1 mmtt -100.03 -35.03 9.84 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.172 -173.54 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 152' ' ' PHE . . . . . . . . . . . . . 9.8 m-30 -65.72 -32.65 74.31 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.194 -178.637 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 153' ' ' VAL . . . . . . . . . . . . . 90.5 t -94.18 -39.98 11.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.233 -178.329 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 86.7 tt0 -53.44 -44.58 68.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.142 175.387 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 155' ' ' LEU . . . . . . . . . . . . . 96.4 mt -75.44 -24.84 57.09 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.306 -0.407 . . . . 0.0 111.191 177.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . 75.34 41.89 29.55 Favored Glycine 0 CA--C 1.524 0.625 0 N-CA-C 111.179 -0.768 . . . . 0.0 111.179 179.335 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 157' ' ' TYR . . . . . . . . . . . . . 13.6 m-30 -108.61 -39.9 5.25 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.865 0.364 . . . . 0.0 111.257 -172.566 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 158' ' ' VAL . . . . . . . . . . . . . 10.4 p -156.3 146.39 11.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.16 -178.243 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 159' ' ' TRP . . . . . . . . . . . . . 51.7 m95 -82.85 162.56 21.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.183 -176.648 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 160' ' ' SER . . . . . . . . . . . . . 40.8 t -140.6 138.87 34.73 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.213 -177.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 161' ' ' CYS . . . . . . . . . . . . . 62.0 m -128.37 130.8 48.25 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.199 -177.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -86.42 159.14 53.72 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.168 171.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 163' ' ' PRO . . . . . . . . . . . . . 98.5 Cg_endo -76.38 65.36 7.25 Favored 'Trans proline' 0 N--CA 1.458 -0.586 0 C-N-CA 121.746 1.63 . . . . 0.0 111.144 -179.237 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 164' ' ' THR . . . . . . . . . . . . . 35.9 p -134.97 174.77 10.23 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.231 176.441 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 165' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -64.96 -31.08 72.14 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.172 -174.348 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 166' ' ' THR . . . . . . . . . . . . . 82.3 p -106.92 -24.27 12.08 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.215 -179.066 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 167' ' ' GLY . . . . . . . . . . . . . . . -67.81 -35.63 85.48 Favored Glycine 0 CA--C 1.523 0.55 0 N-CA-C 111.236 -0.746 . . . . 0.0 111.236 -177.573 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 168' ' ' LEU . . . . . . . . . . . . . 95.7 mt -77.02 -10.58 59.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.794 0.33 . . . . 0.0 111.197 -176.872 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 46.1 pt -120.63 -3.77 9.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.191 179.723 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 170' ' ' ALA . . . . . . . . . . . . . . . -62.18 -42.07 98.93 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.17 175.551 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 171' ' ' GLY . . . . . . . . . . . . . . . -70.35 -34.51 68.82 Favored Glycine 0 CA--C 1.523 0.587 0 N-CA-C 111.171 -0.772 . . . . 0.0 111.171 177.7 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 80.3 mt -63.99 -36.17 83.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.814 0.34 . . . . 0.0 111.221 179.141 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 173' ' ' ARG . . . . . . . . . . . . . 17.5 tpp85 -79.82 -36.48 36.85 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.239 175.44 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -66.42 -27.91 68.2 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.162 -178.661 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 41.6 p -60.06 -24.93 64.97 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.198 178.811 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 176' ' ' GLN . . . . . . . . . . . . . 90.6 mm-40 -102.51 7.0 40.27 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.215 -178.765 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 177' ' ' THR . . . . . 0.417 HG22 ' HG3' ' A' ' 178' ' ' GLU . 88.7 m -104.11 -52.1 3.01 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.205 -175.022 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 178' ' ' GLU . . . . . 0.417 ' HG3' HG22 ' A' ' 177' ' ' THR . 96.6 mt-10 -129.63 151.26 50.43 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.233 -178.511 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 179' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -86.67 134.38 33.61 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.15 178.273 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 180' ' ' LEU . . . . . . . . . . . . . 99.2 mt . . . . . 0 C--N 1.328 -0.343 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.204 -178.697 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.738 0.304 . . . . 0.0 111.176 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 75.0 mmtt -89.06 157.6 18.28 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.167 -177.094 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -122.18 134.57 54.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.155 -175.822 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 95.1 mt -97.93 143.25 28.71 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.238 174.653 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 1.2 t80 -118.06 94.97 4.7 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.196 177.458 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 93.9 t -100.23 122.87 52.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.275 -174.441 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 98.9 m -130.93 130.06 42.97 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.154 173.799 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 81.0 m -114.97 145.02 42.68 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.26 -178.109 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -79.88 172.33 54.8 Favored Glycine 0 CA--C 1.523 0.55 0 N-CA-C 111.179 -0.768 . . . . 0.0 111.179 176.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -93.34 -14.18 27.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.758 0.313 . . . . 0.0 111.141 -177.917 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 98.3 m -57.45 -49.51 76.02 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.223 -179.319 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.472 ' HB ' HD11 ' A' ' 21' ' ' LEU . 87.8 t -96.65 135.4 22.3 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.208 175.239 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 74.5 Cg_exo -46.67 132.21 16.45 Favored 'Trans proline' 0 N--CA 1.457 -0.662 0 C-N-CA 121.644 1.563 . . . . 0.0 111.259 -178.421 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . 0.561 ' N ' ' CD ' ' A' ' 19' ' ' PRO . 41.7 m-85 -63.52 -40.59 59.63 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.209 -175.678 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . 0.561 ' CD ' ' N ' ' A' ' 18' ' ' PHE . 87.4 Cg_exo -51.65 -32.41 44.74 Favored 'Trans proline' 0 N--CA 1.458 -0.588 0 C-N-CA 121.789 1.66 . . . . 0.0 111.165 178.376 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 97.4 mttt -78.49 -28.52 46.4 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.192 177.47 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.472 HD11 ' HB ' ' A' ' 16' ' ' VAL . 89.4 mt -91.6 -5.12 54.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.252 -171.798 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 33.0 m -104.21 -12.74 9.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.244 175.78 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 75.7 p -68.68 -16.33 63.79 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.158 179.83 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 73.2 m -86.93 -15.92 37.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.25 -178.109 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 35.5 m -117.07 -7.97 12.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.238 -175.633 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 97.5 mt -111.99 5.2 18.63 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.203 -178.245 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 52.4 p -73.69 151.51 40.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.141 -178.407 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 98.8 m-20 -66.01 -35.24 80.02 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.185 -176.542 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 77.2 mm-40 -70.25 -42.65 71.91 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.213 178.1 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.423 ' CE2' HD11 ' A' ' 34' ' ' LEU . 90.0 t80 -59.68 -51.4 69.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.152 -178.598 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 84.4 m -63.0 -31.67 72.86 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.165 -173.93 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 65.4 tt0 -76.58 -39.66 51.96 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.178 179.832 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 65.6 mm-40 -64.66 -30.93 71.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.226 -177.528 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.423 HD11 ' CE2' ' A' ' 30' ' ' PHE . 86.2 mt -56.11 -33.0 64.7 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.224 178.866 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 95.8 mt -61.25 -39.87 84.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.183 -175.442 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 86.5 mt-30 -84.07 -13.37 53.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.131 -178.371 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 14.9 m-30 -87.9 -26.08 22.92 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.229 177.725 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 101.53 13.78 31.76 Favored Glycine 0 CA--C 1.524 0.595 0 N-CA-C 111.142 -0.783 . . . . 0.0 111.142 179.715 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 64.8 m-85 -94.62 124.84 38.9 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.754 0.311 . . . . 0.0 111.18 179.893 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 98.4 t -120.11 -40.04 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.179 -176.883 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 43.5 ttp180 -96.04 129.93 43.18 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.203 179.865 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 64.0 tp -123.65 107.05 11.07 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.284 175.283 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 91.3 mt -103.58 122.59 56.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.175 -178.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 80.6 mt -114.84 116.1 51.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.189 -178.369 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 14.2 tm0? -109.98 104.06 12.91 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.18 -172.694 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 19.3 m-30 -110.72 178.22 4.43 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.284 178.123 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -83.91 -136.48 3.11 Favored Glycine 0 CA--C 1.524 0.639 0 N-CA-C 111.194 -0.763 . . . . 0.0 111.194 -172.685 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . 0.651 ' O ' ' HB2' ' A' ' 49' ' ' ASN . 79.4 ttt180 -74.03 88.32 1.89 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.783 0.325 . . . . 0.0 111.231 -168.393 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . 0.651 ' HB2' ' O ' ' A' ' 48' ' ' ARG . 97.0 m-20 87.12 86.15 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.162 167.24 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 97.3 m-85 -138.76 -21.71 0.98 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.23 171.692 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 50.0 m -55.97 -31.02 62.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.188 175.422 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 90.8 p -74.27 -19.68 60.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.218 179.176 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 76.6 mm-40 -81.36 -31.98 33.11 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.213 174.606 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.407 ' HA ' ' HB2' ' A' ' 57' ' ' LEU . 37.2 m-85 -65.18 -20.43 66.44 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.197 175.72 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -59.78 -29.4 68.17 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.201 176.162 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 97.5 m-70 -104.43 -21.36 13.48 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.196 -177.801 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.407 ' HB2' ' HA ' ' A' ' 54' ' ' PHE . 87.5 mt -66.45 -39.93 89.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.211 174.207 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 6.4 p -69.17 -25.47 29.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.173 177.314 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 91.2 mt-30 -72.03 -35.57 69.42 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.202 175.37 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -71.52 -31.28 66.89 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.231 173.227 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 5.7 mmp_? -79.99 -25.9 40.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.235 179.572 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 86.87 30.64 20.16 Favored Glycine 0 CA--C 1.524 0.594 0 N-CA-C 111.224 -0.751 . . . . 0.0 111.224 177.339 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -95.3 -165.83 35.17 Favored Glycine 0 CA--C 1.523 0.583 0 N-CA-C 111.254 -0.738 . . . . 0.0 111.254 178.871 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . 0.415 ' HG3' ' HG3' ' A' ' 66' ' ' GLU . 64.3 tp60 -125.12 120.03 30.26 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.769 0.318 . . . . 0.0 111.211 177.503 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 67.1 ttp85 -80.08 128.82 33.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.208 174.428 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . 0.415 ' HG3' ' HG3' ' A' ' 64' ' ' GLN . 56.7 mt-10 -141.92 60.9 1.47 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.203 177.585 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 30.8 t -60.93 129.89 43.7 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.149 -176.556 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 92.4 mm-40 -112.99 165.01 12.75 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.221 177.261 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -84.95 81.64 8.81 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.214 176.018 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 97.4 mt -61.91 122.6 73.05 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.218 -173.336 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_exo -59.95 146.4 95.98 Favored 'Trans proline' 0 N--CA 1.458 -0.574 0 C-N-CA 121.69 1.593 . . . . 0.0 111.201 -179.163 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 96.7 mt -74.03 -42.09 52.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.247 173.147 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 98.9 m-20 -67.05 -35.02 78.96 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.139 -177.512 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 64.8 tp60 -77.38 -61.09 2.1 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.212 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 56.0 t80 -101.56 -59.72 1.65 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.234 -178.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 123.15 39.53 0.51 Allowed Glycine 0 CA--C 1.523 0.556 0 N-CA-C 111.167 -0.773 . . . . 0.0 111.167 -173.718 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 12.0 t -140.05 -174.7 4.0 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.821 0.343 . . . . 0.0 111.149 179.464 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -127.16 -134.0 3.89 Favored Glycine 0 CA--C 1.523 0.552 0 N-CA-C 111.194 -0.763 . . . . 0.0 111.194 176.538 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 53.3 p-10 -104.96 23.76 13.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.77 0.319 . . . . 0.0 111.219 177.669 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 59.5 p -93.8 -18.25 22.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.233 179.72 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -77.3 159.52 29.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.196 178.034 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 90.1 mmt-85 -131.35 120.02 22.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.146 -179.837 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 81.7 mt-30 -95.71 140.91 29.83 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.221 -179.352 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 76.9 m-85 -136.21 135.89 39.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.243 -175.661 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 97.5 t -103.27 117.7 49.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.24 178.621 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 91.2 mt -122.73 160.35 26.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.214 177.869 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 84.6 mmm 61.96 29.96 17.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.21 175.177 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 96.5 m-20 65.02 34.71 8.62 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.218 177.185 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 96.17 -0.88 62.36 Favored Glycine 0 CA--C 1.523 0.584 0 N-CA-C 111.213 -0.755 . . . . 0.0 111.213 174.599 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -82.1 -20.85 37.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.814 0.34 . . . . 0.0 111.157 -178.843 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 67.2 tp -127.45 120.51 28.56 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.168 175.871 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 47.1 tptt -104.1 111.06 23.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.151 176.78 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 57.7 t -110.14 124.99 67.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.162 -177.588 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 60.0 mt -126.41 122.84 62.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.207 -179.625 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -93.22 140.07 14.89 Favored Glycine 0 CA--C 1.524 0.619 0 N-CA-C 111.182 -0.767 . . . . 0.0 111.182 178.519 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 91.5 m-85 -125.56 149.76 48.06 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.828 0.347 . . . . 0.0 111.168 176.655 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 96.2 m-20 -104.31 32.25 4.14 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.208 173.433 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 7.5 m-30 -64.97 147.22 53.84 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.223 -173.565 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 60.3 p -74.9 -177.27 3.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.262 177.823 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 75.8 p -73.81 -7.23 51.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.238 174.149 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 96.4 mttt -98.75 -40.51 8.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.235 173.586 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 92.2 mtp -74.96 -15.28 60.68 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.168 -176.729 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 29.7 pt20 -63.65 -20.01 65.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.198 -179.679 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 93.3 p -66.16 -22.05 66.35 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.269 176.508 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 96.0 mt -66.6 -55.37 18.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.139 173.518 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 82.2 mt -61.77 -33.31 57.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.21 179.61 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 61.1 ttp180 -48.01 -39.64 20.28 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.211 177.161 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 98.0 m-20 -77.05 -9.85 58.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.149 -173.523 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 109' ' ' TYR . . . . . . . . . . . . . 77.6 m-85 -115.27 40.72 2.61 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.14 -175.723 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 87.2 p -140.02 154.82 47.23 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.176 -173.384 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 54.3 m-20 -116.7 -31.09 5.6 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.165 175.819 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . 0.406 ' C ' HD23 ' A' ' 112' ' ' LEU . 10.4 tt -138.22 130.06 28.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.181 177.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 95.8 t -103.6 135.36 41.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.191 -172.698 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 80.7 mt -126.9 116.77 45.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.19 -176.355 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 21.1 t -107.69 116.25 31.6 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.172 -176.03 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 116' ' ' HIS . . . . . 0.411 ' HB3' HD22 ' A' ' 21' ' ' LEU . 43.4 m170 -101.35 123.71 45.86 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.2 178.596 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . 52.86 47.8 23.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.214 172.499 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 178.37 171.35 41.59 Favored Glycine 0 CA--C 1.522 0.516 0 N-CA-C 111.17 -0.772 . . . . 0.0 111.17 179.603 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 70.9 p -132.21 -2.84 3.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.853 0.359 . . . . 0.0 111.178 -176.871 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -60.8 -34.1 85.61 Favored Glycine 0 CA--C 1.523 0.549 0 N-CA-C 111.176 -0.77 . . . . 0.0 111.176 -174.778 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 87.5 p -87.1 -10.13 53.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.775 0.321 . . . . 0.0 111.19 -174.453 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 122' ' ' ILE . . . . . . . . . . . . . 84.8 mt -74.33 -41.85 50.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.211 -173.776 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 50.5 tp -63.73 -35.38 80.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.22 176.274 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 99.6 m-20 -66.48 -38.9 88.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.182 176.005 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 31.8 t -63.98 -37.77 88.64 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.248 174.359 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 61.5 tp -63.71 -44.04 94.8 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.236 177.508 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -67.99 -33.74 75.21 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.197 176.72 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 128' ' ' LEU . . . . . 0.411 ' O ' ' HB2' ' A' ' 129' ' ' ASN . 18.0 tp -72.91 -24.67 60.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.192 174.582 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 129' ' ' ASN . . . . . 0.411 ' HB2' ' O ' ' A' ' 128' ' ' LEU . 78.5 m-20 69.57 42.32 1.14 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.199 179.711 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 39.7 mmtm -119.95 157.46 52.66 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.186 179.176 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_exo -54.4 148.82 40.67 Favored 'Trans proline' 0 N--CA 1.457 -0.622 0 C-N-CA 121.68 1.587 . . . . 0.0 111.242 178.12 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 132' ' ' LEU . . . . . 0.526 ' C ' HD13 ' A' ' 132' ' ' LEU . 3.3 tm? -139.1 114.72 9.89 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.201 -166.721 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 133' ' ' ILE . . . . . 0.426 ' HA ' ' HB2' ' A' ' 159' ' ' TRP . 76.4 mt -104.71 139.28 26.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.218 177.037 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 98.0 t -118.55 123.91 72.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.224 175.316 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 135' ' ' CYS . . . . . 0.407 ' HB3' ' HA ' ' A' ' 116' ' ' HIS . 52.6 t -103.16 127.43 50.46 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.207 177.194 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 30.6 m -88.44 170.23 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.14 179.211 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 36.6 p30 . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.238 179.895 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.076 0 CA-C-O 120.793 0.33 . . . . 0.0 111.185 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 94.0 m-20 -62.92 -38.78 92.32 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.23 176.793 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 151' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -69.38 -33.97 73.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.166 179.172 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 152' ' ' PHE . . . . . . . . . . . . . 12.2 m-30 -63.18 -36.92 85.24 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.208 174.588 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 153' ' ' VAL . . . . . . . . . . . . . 65.2 t -65.87 -38.95 83.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.207 173.289 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -64.44 -31.32 72.48 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.267 178.68 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 155' ' ' LEU . . . . . . . . . . . . . 85.1 mt -64.78 -41.89 95.51 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.188 176.681 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . 95.43 3.91 61.11 Favored Glycine 0 CA--C 1.523 0.59 0 N-CA-C 111.223 -0.751 . . . . 0.0 111.223 166.172 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 157' ' ' TYR . . . . . 0.434 ' CD2' ' O ' ' A' ' 157' ' ' TYR . 67.6 t80 -146.0 25.05 1.3 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.785 0.326 . . . . 0.0 111.173 178.826 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 158' ' ' VAL . . . . . . . . . . . . . 60.7 t -136.77 118.06 18.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.215 -177.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 159' ' ' TRP . . . . . 0.426 ' HB2' ' HA ' ' A' ' 133' ' ' ILE . 22.1 m95 -87.66 144.06 26.85 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.211 168.276 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 160' ' ' SER . . . . . . . . . . . . . 45.6 t -101.73 108.91 20.57 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.207 -176.446 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 161' ' ' CYS . . . . . . . . . . . . . 15.7 t -99.94 125.08 45.9 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.183 175.713 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -72.36 155.04 91.74 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.234 176.712 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 163' ' ' PRO . . . . . . . . . . . . . 86.9 Cg_endo -78.35 60.01 7.32 Favored 'Trans proline' 0 N--CA 1.458 -0.577 0 C-N-CA 121.76 1.64 . . . . 0.0 111.136 -179.241 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 164' ' ' THR . . . . . . . . . . . . . 24.1 p -133.76 -176.92 4.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.224 177.338 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 165' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -82.82 -4.09 57.58 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.155 176.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 166' ' ' THR . . . . . . . . . . . . . 75.4 p -127.09 -8.6 5.94 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.19 -176.331 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 167' ' ' GLY . . . . . . . . . . . . . . . -61.81 -38.59 96.22 Favored Glycine 0 CA--C 1.523 0.567 0 N-CA-C 111.177 -0.769 . . . . 0.0 111.177 -179.087 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 168' ' ' LEU . . . . . . . . . . . . . 26.5 tp -70.83 -31.17 67.8 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.793 0.33 . . . . 0.0 111.158 -179.428 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 96.7 mt -57.58 -44.86 85.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.188 175.598 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 170' ' ' ALA . . . . . . . . . . . . . . . -64.66 -35.08 79.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.229 178.913 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 171' ' ' GLY . . . . . . . . . . . . . . . -62.82 -42.27 99.71 Favored Glycine 0 CA--C 1.523 0.575 0 N-CA-C 111.182 -0.767 . . . . 0.0 111.182 176.855 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 85.2 mt -66.95 -34.88 78.73 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.878 0.37 . . . . 0.0 111.183 177.703 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 173' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -65.23 -38.46 90.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.254 173.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -66.49 -36.76 83.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.227 -179.379 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 60.0 p -65.04 -22.58 67.0 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.139 -179.274 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 176' ' ' GLN . . . . . . . . . . . . . 92.5 mm-40 -100.21 -27.21 13.63 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.122 -177.423 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 177' ' ' THR . . . . . . . . . . . . . 95.7 m -73.6 -47.25 41.8 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.197 178.435 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 178' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -127.75 156.93 41.66 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.152 -176.439 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 179' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -105.0 135.42 46.38 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.274 -177.468 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 180' ' ' LEU . . . . . . . . . . . . . 97.7 mt . . . . . 0 C--N 1.328 -0.341 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.186 178.806 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 61.3 mt-10 . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.81 0.338 . . . . 0.0 111.223 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 36.4 ttmt -54.72 120.18 6.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.127 -178.388 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . 0.431 ' HA ' ' O ' ' A' ' 41' ' ' ARG . . . -107.83 131.47 54.45 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.185 -165.92 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 59.5 tp -118.17 115.69 25.3 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.237 -177.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 86.8 t80 -93.93 125.18 38.4 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.194 -175.372 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 72.7 t -107.17 109.55 28.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.215 174.109 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 88.2 m -69.11 134.28 49.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.232 -179.651 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 77.9 m -131.66 65.41 1.57 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.197 171.556 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -85.44 -164.92 39.62 Favored Glycine 0 CA--C 1.522 0.503 0 N-CA-C 111.195 -0.762 . . . . 0.0 111.195 -175.304 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -67.52 -25.81 66.02 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.816 0.341 . . . . 0.0 111.206 -175.89 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 71.4 p -105.48 4.79 30.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.204 -176.157 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 59.9 t -124.73 104.24 30.7 Favored Pre-proline 0 C--N 1.328 -0.36 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.18 179.52 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.416 ' HB2' ' HB2' ' A' ' 20' ' ' LYS . 50.4 Cg_exo -55.77 141.7 84.37 Favored 'Trans proline' 0 N--CA 1.458 -0.573 0 C-N-CA 121.708 1.605 . . . . 0.0 111.187 177.893 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . 0.556 ' HB3' ' HD3' ' A' ' 19' ' ' PRO . 51.1 t80 -65.8 -52.23 43.41 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.216 -173.229 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . 0.556 ' HD3' ' HB3' ' A' ' 18' ' ' PHE . 70.3 Cg_endo -75.48 -21.67 14.75 Favored 'Trans proline' 0 N--CA 1.457 -0.639 0 C-N-CA 121.699 1.599 . . . . 0.0 111.251 -172.556 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.416 ' HB2' ' HB2' ' A' ' 17' ' ' PRO . 87.6 tttt -55.17 -44.01 74.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.216 -175.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 75.3 mt -109.85 -34.44 6.44 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.24 -174.023 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 53.7 t -69.1 -45.88 79.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.177 -173.197 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 59.6 p -66.98 -16.42 64.34 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.192 -176.435 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . 0.475 ' SG ' ' HB3' ' A' ' 165' ' ' GLU . 80.9 m -90.96 -45.85 8.5 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.217 177.882 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 55.4 t -60.78 -29.87 46.03 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.229 177.085 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 77.6 mt -98.96 16.31 22.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.163 -178.344 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 48.8 p -73.37 163.69 27.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.216 175.46 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 99.2 m-20 -62.01 -31.36 71.74 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.177 178.449 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -76.65 -47.36 22.41 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.262 -178.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 7.6 m-85 -65.7 -44.94 84.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.215 -177.406 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 63.9 m -60.65 -41.79 95.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.223 -178.779 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 66.6 tt0 -61.63 -45.98 91.74 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.154 176.419 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 73.1 mm-40 -64.74 -37.85 88.99 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.165 179.17 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 69.5 mt -65.78 -41.42 92.03 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.233 -177.24 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 35.8 mm -57.91 -38.04 64.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.25 173.729 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 99.3 mm-40 -75.0 -25.76 59.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.193 177.643 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 21.9 m-30 -87.8 -8.9 55.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.219 179.809 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 100.95 -3.66 55.8 Favored Glycine 0 CA--C 1.524 0.598 0 N-CA-C 111.218 -0.753 . . . . 0.0 111.218 174.044 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 83.2 m-85 -81.92 117.85 22.49 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.843 0.354 . . . . 0.0 111.164 -178.346 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 30.2 m -131.49 -6.78 2.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.112 -173.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . 0.431 ' O ' ' HA ' ' A' ' 7' ' ' ALA . 35.6 ttm180 -123.05 92.42 3.7 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.138 178.861 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.416 ' HB2' HG22 ' A' ' 93' ' ' VAL . 30.2 mt -92.57 135.15 34.32 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.21 -176.232 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 86.0 mt -115.37 113.4 43.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.152 -176.267 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 47.6 mm -112.74 113.76 45.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.23 -174.189 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 59.9 tt0 -76.14 126.91 31.86 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.176 174.38 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 8.6 m-30 -73.25 140.44 46.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.246 175.088 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -95.1 -146.69 21.32 Favored Glycine 0 CA--C 1.524 0.619 0 N-CA-C 111.126 -0.79 . . . . 0.0 111.126 178.32 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . 0.663 ' O ' ' CB ' ' A' ' 49' ' ' ASN . 59.0 ttt85 -81.81 60.07 4.54 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.833 0.349 . . . . 0.0 111.267 178.595 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . 0.663 ' CB ' ' O ' ' A' ' 48' ' ' ARG . 60.7 t30 106.92 67.99 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.189 172.157 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 98.5 m-85 -134.83 14.12 3.64 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.143 178.512 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 74.3 m -61.13 -47.56 85.67 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.196 176.423 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 93.9 p -82.5 -20.85 35.97 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.241 179.468 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 77.0 mm-40 -69.12 -42.96 75.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.186 177.718 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.508 ' O ' ' CD1' ' A' ' 54' ' ' PHE . 1.1 t80 -68.1 -39.83 82.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.213 173.014 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 83.0 tt0 -52.94 -39.86 63.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.198 173.68 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 62.8 m170 -66.93 -34.85 78.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.222 -179.156 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 91.7 mt -63.06 -33.7 76.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.226 -176.908 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.401 HG21 ' HB3' ' A' ' 84' ' ' TYR . 96.2 t -96.67 -36.73 6.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.17 -176.13 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 72.8 tp60 -64.9 -37.9 89.19 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.193 179.554 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -71.23 -30.82 66.82 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.2 177.245 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -71.98 -28.89 63.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.257 174.114 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 89.78 29.31 16.18 Favored Glycine 0 CA--C 1.523 0.541 0 N-CA-C 111.157 -0.777 . . . . 0.0 111.157 179.377 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -86.1 -168.28 44.59 Favored Glycine 0 CA--C 1.523 0.554 0 N-CA-C 111.268 -0.733 . . . . 0.0 111.268 179.058 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 97.7 mm-40 -109.69 165.28 11.8 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.838 0.351 . . . . 0.0 111.225 178.439 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 47.6 ptt85 -167.31 154.71 8.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.179 -176.087 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 88.3 tt0 -159.7 130.9 5.96 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.234 177.8 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 74.6 m -69.89 145.29 52.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.141 -178.665 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 91.8 mm-40 -124.89 145.11 49.98 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.169 -173.625 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -93.41 70.29 4.31 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.221 176.464 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 41.4 mm -71.28 131.17 86.98 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.202 -176.007 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -72.71 139.81 31.41 Favored 'Trans proline' 0 N--CA 1.458 -0.586 0 C-N-CA 121.706 1.604 . . . . 0.0 111.17 -176.464 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 96.4 mt -82.88 -43.03 18.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.191 178.438 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 99.1 m-20 -68.09 -40.09 82.73 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.168 -177.681 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 71.3 tp60 -85.03 -65.35 1.02 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.213 -176.909 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 48.2 t80 -80.73 -45.72 16.63 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.212 -171.195 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 115.68 16.0 7.17 Favored Glycine 0 CA--C 1.522 0.528 0 N-CA-C 111.205 -0.758 . . . . 0.0 111.205 170.761 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' CYS . . . . . 0.469 ' SG ' HD12 ' A' ' 106' ' ' ILE . 86.9 m -131.27 160.09 35.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.76 0.314 . . . . 0.0 111.192 179.599 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -77.22 178.93 50.97 Favored Glycine 0 CA--C 1.523 0.558 0 N-CA-C 111.187 -0.765 . . . . 0.0 111.187 -178.4 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 58.8 p-10 -92.31 15.12 14.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.797 0.332 . . . . 0.0 111.175 -176.654 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 73.4 p -92.75 2.63 56.64 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.159 174.539 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -66.46 154.56 39.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.173 176.221 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 41.4 ttm180 -145.88 132.73 20.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.216 -176.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 59.8 tt0 -84.72 135.59 34.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.166 176.353 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' TYR . . . . . 0.401 ' HB3' HG21 ' A' ' 58' ' ' VAL . 97.0 m-85 -120.15 147.28 45.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.21 174.62 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 92.8 t -113.76 118.78 59.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.163 -174.513 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 94.9 mt -125.13 169.64 11.99 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.19 179.724 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 97.3 mmm 60.03 30.01 19.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.172 176.834 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 96.4 m-20 64.88 34.58 9.08 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.194 176.019 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 97.32 -5.06 62.65 Favored Glycine 0 CA--C 1.523 0.547 0 N-CA-C 111.247 -0.741 . . . . 0.0 111.247 175.102 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -80.01 -25.7 40.15 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.781 0.324 . . . . 0.0 111.219 -178.713 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 46.1 tp -119.91 123.84 44.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.142 -176.765 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -105.13 116.34 31.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.166 176.099 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . 0.416 HG22 ' HB2' ' A' ' 42' ' ' LEU . 39.2 t -121.76 114.58 43.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.134 -179.501 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 67.3 mt -113.1 125.71 70.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.17 -174.921 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -88.48 132.02 10.99 Favored Glycine 0 CA--C 1.524 0.619 0 N-CA-C 111.228 -0.749 . . . . 0.0 111.228 174.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 95.9 m-85 -119.4 145.65 46.04 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.773 0.32 . . . . 0.0 111.151 -174.665 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 65.8 t0 -105.9 102.74 12.16 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.233 176.646 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 39.0 p90 -159.53 155.04 25.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.209 -178.422 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 59.8 p -85.58 -178.53 6.69 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.243 -173.225 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 82.7 p -73.5 -14.65 61.26 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.2 179.6 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -85.39 -10.69 55.92 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.128 177.905 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 67.5 mtt -105.0 3.05 30.19 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.164 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 90.0 mt-30 -65.77 -41.89 91.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.167 179.449 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 65.1 m -61.47 -32.47 72.48 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.188 178.212 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 96.5 mt -71.74 -50.3 39.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.256 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . 0.469 HD12 ' SG ' ' A' ' 77' ' ' CYS . 17.8 tt -70.37 -21.29 23.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.143 -177.104 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 96.1 mtt180 -72.08 -10.49 59.85 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.113 178.889 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -75.55 -12.49 60.23 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.144 170.718 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 109' ' ' TYR . . . . . . . . . . . . . 94.0 m-85 -112.44 36.99 3.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.22 179.886 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 110' ' ' SER . . . . . 0.4 ' HA ' ' HB3' ' A' ' 7' ' ' ALA . 91.7 p -145.11 160.05 42.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.213 -177.434 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 64.7 m-20 -110.56 -39.66 4.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.213 -179.225 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 59.4 tp -125.99 121.98 34.61 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.207 177.118 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 99.1 t -94.86 136.05 27.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.219 -179.295 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 86.3 mt -112.24 124.75 69.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.232 172.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 43.1 t -140.06 143.12 36.19 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.215 174.408 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 52.3 t-80 -76.72 153.19 35.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.191 161.656 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -61.41 135.44 57.69 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.2 176.014 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 111.7 32.74 2.4 Favored Glycine 0 CA--C 1.524 0.636 0 N-CA-C 111.196 -0.762 . . . . 0.0 111.196 177.15 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 43.8 p -125.03 -26.69 3.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.773 0.321 . . . . 0.0 111.199 -179.536 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 79.73 10.05 86.16 Favored Glycine 0 CA--C 1.523 0.536 0 N-CA-C 111.18 -0.768 . . . . 0.0 111.18 -175.922 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 68.9 m -70.59 -20.14 62.8 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.821 0.343 . . . . 0.0 111.19 -173.937 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 122' ' ' ILE . . . . . . . . . . . . . 7.8 tp -53.11 -30.84 17.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.146 176.115 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 98.2 mt -82.25 -24.4 34.81 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.208 178.915 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 35.8 t70 -74.65 -42.37 58.64 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.247 174.941 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 83.0 p -65.16 -25.4 67.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.23 177.125 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 65.7 tp -64.76 -55.37 20.24 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.175 175.81 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 37.6 ptt180 -68.52 -20.32 64.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.209 -179.861 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 97.7 mt -83.65 -26.79 29.6 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.187 172.178 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 77.7 m-20 61.41 39.23 15.4 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.132 -174.458 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 96.6 mttt -121.03 145.68 42.28 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.191 -172.204 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 77.2 Cg_exo -55.0 143.68 72.0 Favored 'Trans proline' 0 N--CA 1.457 -0.631 0 C-N-CA 121.673 1.582 . . . . 0.0 111.296 -179.266 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 58.1 tp -139.32 120.25 14.46 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.229 -176.357 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 89.9 mt -81.71 124.92 39.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.227 166.931 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 95.4 t -116.64 111.57 35.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.221 179.405 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 135' ' ' CYS . . . . . . . . . . . . . 50.0 t -92.51 115.52 28.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.201 176.035 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 25.5 m -77.18 161.11 4.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.167 -171.603 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 46.3 p30 . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.149 177.857 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.838 0.352 . . . . 0.0 111.203 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 99.5 m-20 -64.99 -30.93 71.95 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.174 176.515 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 151' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -71.39 -33.04 69.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.232 175.603 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 152' ' ' PHE . . . . . . . . . . . . . 11.8 m-30 -72.97 -28.17 62.25 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.259 176.826 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 153' ' ' VAL . . . . . . . . . . . . . 53.6 t -61.09 -35.73 67.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.245 169.771 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 76.6 mm-40 -69.31 -30.14 68.14 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.154 177.2 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 155' ' ' LEU . . . . . . . . . . . . . 82.9 mt -64.71 -26.82 68.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.173 177.468 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . 105.34 -31.39 8.56 Favored Glycine 0 CA--C 1.523 0.586 0 N-CA-C 111.192 -0.763 . . . . 0.0 111.192 164.143 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 157' ' ' TYR . . . . . 0.422 ' HA ' ' HB3' ' A' ' 180' ' ' LEU . 17.4 p90 -139.08 8.14 2.48 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.839 0.352 . . . . 0.0 111.194 -173.24 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 158' ' ' VAL . . . . . . . . . . . . . 58.7 t -109.06 140.07 29.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.226 -178.75 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 159' ' ' TRP . . . . . . . . . . . . . 66.2 t-105 -133.45 133.09 41.86 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.206 177.709 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 160' ' ' SER . . . . . . . . . . . . . 30.0 t -83.22 130.19 35.07 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.206 177.686 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 161' ' ' CYS . . . . . . . . . . . . . 88.6 m -115.02 149.09 38.0 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.211 172.01 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -60.28 156.34 40.83 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.178 -175.575 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 163' ' ' PRO . . . . . . . . . . . . . 78.3 Cg_endo -74.95 70.27 5.3 Favored 'Trans proline' 0 N--CA 1.459 -0.555 0 C-N-CA 121.675 1.583 . . . . 0.0 111.204 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 164' ' ' THR . . . . . . . . . . . . . 14.8 t -152.63 169.07 23.6 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.217 178.89 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 165' ' ' GLU . . . . . 0.475 ' HB3' ' SG ' ' A' ' 24' ' ' CYS . 98.6 mt-10 -71.25 -32.68 69.02 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.156 -168.363 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 166' ' ' THR . . . . . . . . . . . . . 62.2 p -112.17 24.33 12.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.175 -174.647 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 167' ' ' GLY . . . . . . . . . . . . . . . -79.97 -9.67 86.44 Favored Glycine 0 CA--C 1.523 0.542 0 N-CA-C 111.167 -0.773 . . . . 0.0 111.167 -179.679 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 168' ' ' LEU . . . . . . . . . . . . . 93.5 mt -64.25 -25.89 68.26 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.782 0.325 . . . . 0.0 111.177 -175.149 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 169' ' ' ILE . . . . . 0.4 HD12 ' HA ' ' A' ' 169' ' ' ILE . 10.4 tp -62.92 -22.83 31.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.147 -175.788 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 170' ' ' ALA . . . . . . . . . . . . . . . -64.99 -42.59 94.39 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.194 177.503 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 171' ' ' GLY . . . . . . . . . . . . . . . -76.49 -33.29 48.43 Favored Glycine 0 CA--C 1.522 0.531 0 N-CA-C 111.222 -0.751 . . . . 0.0 111.222 179.129 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 98.1 mt -65.78 -36.6 83.98 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.855 0.36 . . . . 0.0 111.271 177.233 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 173' ' ' ARG . . . . . . . . . . . . . 79.4 ttt180 -72.83 -38.57 67.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.157 173.504 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -61.3 -35.54 77.62 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.182 -178.358 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 52.5 p -63.17 -23.72 67.56 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.216 179.18 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 176' ' ' GLN . . . . . . . . . . . . . 92.5 mm-40 -100.88 -25.7 14.0 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.236 -178.453 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 177' ' ' THR . . . . . . . . . . . . . 90.5 m -65.98 -41.21 91.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.24 177.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 178' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -148.16 135.79 20.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.196 -179.881 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 179' ' ' LYS . . . . . . . . . . . . . 88.9 tttt -58.03 121.18 9.99 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.138 178.121 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 180' ' ' LEU . . . . . 0.422 ' HB3' ' HA ' ' A' ' 157' ' ' TYR . 97.4 mt . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.181 -179.579 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 33.8 mt-10 . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.851 0.358 . . . . 0.0 111.159 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 43.6 tptt -50.04 109.99 0.35 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.204 -171.854 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -109.11 128.21 54.8 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.131 -167.354 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 61.2 tp -109.05 111.58 23.3 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.187 176.57 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . 0.469 ' HA ' ' HB ' ' A' ' 43' ' ' ILE . 43.9 t80 -89.82 110.02 20.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.208 -176.111 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 62.1 t -115.86 127.29 73.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.226 178.849 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 30.8 m -124.45 129.99 51.66 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.231 169.654 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 95.6 m -81.63 146.14 30.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.224 -177.221 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -80.54 176.58 54.63 Favored Glycine 0 CA--C 1.523 0.539 0 N-CA-C 111.211 -0.756 . . . . 0.0 111.211 178.144 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -92.42 -15.66 26.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.79 0.328 . . . . 0.0 111.247 -177.455 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 69.4 m -61.79 -44.71 96.34 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.162 -177.618 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 84.9 t -109.94 135.02 20.51 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.125 -178.776 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 81.6 Cg_exo -48.95 137.82 27.73 Favored 'Trans proline' 0 N--CA 1.458 -0.571 0 C-N-CA 121.748 1.632 . . . . 0.0 111.188 179.208 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . 0.54 ' N ' ' CD ' ' A' ' 19' ' ' PRO . 84.3 t80 -60.22 -42.34 89.02 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.188 -176.93 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . 0.54 ' CD ' ' N ' ' A' ' 18' ' ' PHE . 76.8 Cg_exo -53.14 -29.92 47.93 Favored 'Trans proline' 0 N--CA 1.458 -0.592 0 C-N-CA 121.731 1.621 . . . . 0.0 111.133 178.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -86.29 -36.19 19.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.187 -179.92 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 81.6 mt -76.16 -28.93 57.55 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.228 -177.746 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 3.4 p -75.47 -22.98 16.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.169 -177.005 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 60.2 p -76.6 -14.94 59.95 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.197 177.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 76.3 m -85.01 -15.0 45.65 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.231 -179.375 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 33.2 m -111.79 -11.63 11.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.245 178.207 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 90.6 mt -101.1 6.59 43.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.262 173.131 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 3.6 t -60.02 141.69 55.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.146 174.884 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 86.0 m-20 -63.1 -40.35 97.38 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.199 176.127 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -69.04 -39.03 79.42 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.226 178.117 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 73.6 t80 -59.4 -48.75 80.45 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.203 174.524 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 68.9 m -65.47 -39.16 91.65 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.268 -177.369 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 72.4 tp60 -62.48 -45.22 94.01 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.236 177.466 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 61.4 mm-40 -68.25 -38.19 81.55 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.211 176.707 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 43.4 tp -60.15 -40.75 90.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.221 179.458 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 92.9 mt -62.65 -39.96 86.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.261 171.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 71.9 tp60 -62.75 -30.03 71.14 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.24 178.041 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 26.4 m-85 -85.96 1.56 49.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.222 -179.34 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 84.75 19.82 59.13 Favored Glycine 0 CA--C 1.523 0.553 0 N-CA-C 111.186 -0.765 . . . . 0.0 111.186 168.796 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 68.0 m-85 -94.63 145.16 25.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.798 0.333 . . . . 0.0 111.173 178.331 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 84.4 t -116.36 -40.1 2.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.206 -171.71 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 88.3 mtt180 -123.02 103.71 8.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.215 -172.086 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 57.9 tp -78.43 113.81 16.76 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.218 175.17 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.469 ' HB ' ' HA ' ' A' ' 9' ' ' PHE . 96.8 mt -94.8 124.6 47.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.212 179.79 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 76.9 mt -113.78 100.42 10.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.245 176.254 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 69.9 tp60 -105.51 98.04 7.8 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.137 -176.042 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 75.9 t80 -120.17 130.01 54.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.211 -174.771 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -78.12 164.61 51.48 Favored Glycine 0 CA--C 1.523 0.56 0 N-CA-C 111.18 -0.768 . . . . 0.0 111.18 -176.064 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 76.8 ttt180 75.03 -95.04 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.78 0.324 . . . . 0.0 111.236 177.631 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 61.0 t-20 -133.41 93.16 3.1 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.2 -172.639 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 41.1 t80 -79.55 130.21 35.18 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.132 176.262 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 30.8 t -57.32 109.59 0.7 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.153 175.03 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 58.3 m -110.72 34.08 4.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.143 -169.484 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 22.9 tt0 -144.79 85.56 1.77 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.226 173.752 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 21.7 m-30 -109.12 29.56 7.39 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.212 172.882 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 79.5 tt0 -60.37 -37.72 81.63 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.186 177.061 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 51.0 p-80 -66.08 -23.49 66.53 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.206 179.064 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 59.2 tp -75.63 -55.04 6.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.146 177.489 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 19.1 m -67.65 -22.43 28.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.197 -177.724 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 72.0 tp60 -61.5 -33.87 74.53 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.192 175.782 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 95.4 mt-10 -90.65 -28.05 18.64 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.212 179.747 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 10.9 mpt_? -90.33 4.26 51.3 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.177 -175.55 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 74.99 39.29 38.33 Favored Glycine 0 CA--C 1.524 0.601 0 N-CA-C 111.144 -0.783 . . . . 0.0 111.144 169.367 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -135.43 -174.37 13.38 Favored Glycine 0 CA--C 1.523 0.547 0 N-CA-C 111.151 -0.78 . . . . 0.0 111.151 178.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 94.4 mm-40 -119.97 -179.98 4.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.868 0.365 . . . . 0.0 111.183 178.431 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 8.1 ppt_? -140.53 149.76 42.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.173 175.735 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 42.6 tt0 -152.4 130.72 12.05 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.206 -178.274 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 29.0 t -87.09 127.22 35.13 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.135 172.621 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 87.6 mt-30 -125.92 152.61 45.39 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.241 -171.602 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -115.14 110.15 19.09 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.258 175.481 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 46.6 mm -101.14 132.85 21.43 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.149 -165.929 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_exo -50.04 124.55 12.91 Favored 'Trans proline' 0 N--CA 1.459 -0.523 0 C-N-CA 121.677 1.585 . . . . 0.0 111.138 175.026 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 96.8 mt -73.45 -46.17 49.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.21 -176.275 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 99.4 m-20 -63.92 -38.15 90.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.208 -175.76 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 70.8 tp60 -78.2 -46.66 19.88 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.187 -174.603 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 85.2 m-85 -113.8 -23.65 9.55 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.255 -166.743 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 93.96 -7.04 73.33 Favored Glycine 0 CA--C 1.524 0.596 0 N-CA-C 111.206 -0.758 . . . . 0.0 111.206 177.627 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 77.2 m -95.08 155.07 16.88 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.828 0.347 . . . . 0.0 111.178 -179.131 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -97.37 -148.98 24.78 Favored Glycine 0 CA--C 1.523 0.543 0 N-CA-C 111.214 -0.754 . . . . 0.0 111.214 -174.071 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 53.5 p-10 -99.72 14.14 31.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.81 0.338 . . . . 0.0 111.234 -171.391 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 64.6 p -127.57 70.47 1.32 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.201 176.192 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -112.41 122.23 47.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.198 173.79 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 8.9 mmm180 -103.6 116.67 32.79 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.184 -175.746 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 35.7 tt0 -92.9 124.87 37.19 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.163 177.257 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 93.7 m-85 -124.96 143.81 50.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.2 175.486 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 98.6 t -111.6 123.31 67.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.243 176.286 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 94.3 mt -121.87 167.15 13.37 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.162 178.847 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 70.4 mmm 60.91 34.77 19.43 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.183 173.522 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 77.3 m-20 58.96 34.94 23.89 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.208 177.733 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 94.02 4.53 63.09 Favored Glycine 0 CA--C 1.523 0.567 0 N-CA-C 111.226 -0.75 . . . . 0.0 111.226 172.932 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -86.34 -18.94 30.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.756 0.312 . . . . 0.0 111.192 -178.286 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 53.0 tp -136.51 134.87 38.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.205 176.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 92.6 mttt -105.44 146.71 29.14 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.168 174.733 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 91.1 t -129.64 124.24 58.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.196 177.879 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 45.1 mm -114.68 113.98 45.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.232 178.19 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -102.43 146.67 16.91 Favored Glycine 0 CA--C 1.523 0.554 0 N-CA-C 111.218 -0.753 . . . . 0.0 111.218 179.203 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 90.2 m-85 -126.47 131.66 51.61 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.766 0.317 . . . . 0.0 111.161 178.393 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 57.7 t0 -115.1 88.32 2.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.213 -177.647 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 87.0 m-85 -134.29 -176.74 4.3 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.229 -178.803 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 72.8 p -76.61 -179.13 5.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.169 175.113 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 82.3 p -78.36 -7.67 57.57 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.256 179.372 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -88.13 -7.84 56.32 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.234 179.512 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 95.2 mtp -114.94 34.92 4.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.202 -179.772 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 28.7 mm100 -86.7 -16.39 36.62 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.159 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 104' ' ' SER . . . . . 0.501 ' O ' ' HB ' ' A' ' 105' ' ' ILE . 12.0 t -94.96 -164.46 1.17 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.202 -177.658 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 105' ' ' ILE . . . . . 0.501 ' HB ' ' O ' ' A' ' 104' ' ' SER . 86.6 mt 73.64 -65.03 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.183 178.237 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 95.8 mt -57.29 -28.94 31.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.205 -177.17 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 93.1 mtm-85 -59.89 -30.1 68.79 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.186 178.41 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -67.2 -21.57 65.76 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.176 179.2 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 109' ' ' TYR . . . . . . . . . . . . . 62.9 m-85 -96.59 -8.9 30.6 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.171 -177.054 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 83.5 p -86.01 169.71 12.95 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.249 -176.863 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 61.8 m-20 -110.77 -40.07 4.66 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.23 178.301 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 53.5 tp -127.46 129.95 48.39 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.207 175.655 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 94.9 t -108.19 120.38 59.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.234 -177.156 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 114' ' ' ILE . . . . . 0.438 HG12 ' HB ' ' A' ' 133' ' ' ILE . 85.3 mt -103.85 117.1 48.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.194 170.346 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 49.7 m -121.1 135.93 55.08 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.246 -177.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 116' ' ' HIS . . . . . 0.446 ' HA ' ' HB2' ' A' ' 135' ' ' CYS . 24.9 m170 -87.81 146.51 25.58 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.186 175.416 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -63.05 129.73 41.62 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.197 176.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 100.9 25.29 8.55 Favored Glycine 0 CA--C 1.524 0.619 0 N-CA-C 111.141 -0.784 . . . . 0.0 111.141 177.201 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 69.4 p -115.3 -40.97 3.35 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.867 0.365 . . . . 0.0 111.224 176.808 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 94.08 2.61 64.22 Favored Glycine 0 CA--C 1.524 0.652 0 N-CA-C 111.193 -0.763 . . . . 0.0 111.193 -177.028 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 86.4 p -90.78 -7.76 51.54 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.802 0.334 . . . . 0.0 111.143 177.886 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 122' ' ' ILE . . . . . 0.492 HG23 HD21 ' A' ' 132' ' ' LEU . 96.6 mt -63.78 -40.0 87.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.217 179.492 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 96.2 mt -75.37 -17.65 60.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.238 -173.513 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 31.1 t0 -69.39 -52.89 22.7 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.206 -176.087 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 11.2 t -57.06 -34.95 68.78 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.152 178.545 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 89.8 mt -63.01 -48.61 78.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.175 179.24 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 40.1 ptt180 -73.39 -19.98 60.86 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.221 -179.777 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 97.5 mt -85.64 -9.91 56.57 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.203 176.134 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 56.2 t30 63.57 36.18 11.24 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.155 -179.162 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 89.7 mttt -110.82 149.52 40.5 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.154 178.485 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 74.6 Cg_exo -50.95 131.11 33.61 Favored 'Trans proline' 0 N--CA 1.458 -0.567 0 C-N-CA 121.648 1.565 . . . . 0.0 111.178 178.928 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 132' ' ' LEU . . . . . 0.492 HD21 HG23 ' A' ' 122' ' ' ILE . 40.7 tp -131.31 126.53 35.59 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.182 -171.762 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 133' ' ' ILE . . . . . 0.438 ' HB ' HG12 ' A' ' 114' ' ' ILE . 74.4 mt -111.09 120.95 62.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.235 170.093 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 97.5 t -100.16 123.31 52.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.157 -179.334 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 135' ' ' CYS . . . . . 0.446 ' HB2' ' HA ' ' A' ' 116' ' ' HIS . 89.9 m -98.67 117.21 32.63 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.166 179.212 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 11.4 p -84.89 141.81 14.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.159 -176.159 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 19.7 p30 . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.176 179.36 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.797 0.332 . . . . 0.0 111.17 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 98.8 m-20 -62.51 -32.69 73.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.159 176.653 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 151' ' ' LYS . . . . . . . . . . . . . 75.0 mmtt -87.64 -23.59 24.2 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.269 -179.559 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 152' ' ' PHE . . . . . . . . . . . . . 12.8 m-85 -63.61 -36.96 85.54 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.134 168.146 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 153' ' ' VAL . . . . . . . . . . . . . 61.6 t -63.37 -38.3 81.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.208 171.585 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 76.8 mm-40 -64.84 -32.87 74.77 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.212 178.095 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 155' ' ' LEU . . . . . . . . . . . . . 90.1 mt -64.73 -50.64 66.12 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.142 174.785 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . 83.87 15.07 71.11 Favored Glycine 0 CA--C 1.523 0.538 0 N-CA-C 111.241 -0.744 . . . . 0.0 111.241 167.085 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 157' ' ' TYR . . . . . . . . . . . . . 25.4 p90 -139.92 6.73 2.22 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.886 0.374 . . . . 0.0 111.233 177.317 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 158' ' ' VAL . . . . . . . . . . . . . 7.9 p -159.57 141.08 4.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.219 -178.815 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 159' ' ' TRP . . . . . . . . . . . . . 26.4 m-90 -120.49 136.29 54.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.215 -174.771 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 160' ' ' SER . . . . . . . . . . . . . 28.1 t -100.45 147.19 26.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.149 -178.499 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 161' ' ' CYS . . . . . . . . . . . . . 19.8 p -154.87 -179.37 7.97 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.216 174.079 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -99.25 140.32 21.59 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.231 172.741 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 163' ' ' PRO . . . . . . . . . . . . . 87.4 Cg_endo -78.14 64.96 8.43 Favored 'Trans proline' 0 N--CA 1.458 -0.608 0 C-N-CA 121.689 1.593 . . . . 0.0 111.198 179.841 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 164' ' ' THR . . . . . . . . . . . . . 10.4 p -129.95 -179.93 5.5 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.198 176.619 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 165' ' ' GLU . . . . . . . . . . . . . 25.1 pt-20 -69.69 -8.42 47.67 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.198 179.66 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 166' ' ' THR . . . . . . . . . . . . . 78.6 p -116.6 -36.58 3.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.226 -178.106 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 167' ' ' GLY . . . . . . . . . . . . . . . -72.86 -36.7 57.45 Favored Glycine 0 CA--C 1.523 0.584 0 N-CA-C 111.249 -0.741 . . . . 0.0 111.249 -177.645 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 168' ' ' LEU . . . . . . . . . . . . . 95.4 mt -65.22 -35.14 80.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.844 0.355 . . . . 0.0 111.166 178.202 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 93.8 mt -65.07 -45.46 94.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.203 174.012 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 170' ' ' ALA . . . . . . . . . . . . . . . -62.72 -36.74 83.97 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.244 178.374 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 171' ' ' GLY . . . . . . . . . . . . . . . -64.89 -43.89 95.4 Favored Glycine 0 CA--C 1.523 0.537 0 N-CA-C 111.125 -0.79 . . . . 0.0 111.125 177.799 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 80.5 mt -59.42 -44.94 92.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.839 0.352 . . . . 0.0 111.182 177.577 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 173' ' ' ARG . . . . . . . . . . . . . 55.0 ttm-85 -65.56 -38.32 89.23 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.192 177.487 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -62.72 -40.64 97.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.18 -177.796 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 56.4 p -65.1 -19.97 66.24 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.207 -177.823 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 176' ' ' GLN . . . . . . . . . . . . . 81.5 mt-30 -108.64 -4.56 16.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.221 -179.718 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 177' ' ' THR . . . . . . . . . . . . . 71.3 m -70.06 -47.84 60.3 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.165 177.797 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 178' ' ' GLU . . . . . . . . . . . . . 72.6 mm-40 -95.28 149.45 21.32 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.214 178.569 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 179' ' ' LYS . . . . . . . . . . . . . 88.9 tttt -63.24 125.03 22.73 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.276 179.228 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 180' ' ' LEU . . . . . . . . . . . . . 56.9 tp . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.191 -178.469 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . 0.463 ' HG3' ' HB ' ' A' ' 40' ' ' VAL . 81.7 tt0 . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.816 0.341 . . . . 0.0 111.182 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . 0.43 ' HB2' ' HA ' ' A' ' 39' ' ' PHE . 90.8 mttt -99.55 153.42 19.05 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.199 179.852 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -110.06 130.2 55.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.214 178.441 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 51.9 tp -122.22 124.46 43.86 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.196 -174.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 42.3 m-85 -103.38 120.38 40.69 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.232 175.372 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 66.3 t -111.54 110.22 31.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.139 177.047 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 99.4 m -95.88 123.57 39.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.272 -174.415 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 41.3 t -77.6 131.5 37.84 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.205 175.789 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -74.82 173.29 52.37 Favored Glycine 0 CA--C 1.523 0.584 0 N-CA-C 111.245 -0.742 . . . . 0.0 111.245 177.275 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -67.95 -35.14 77.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.84 0.352 . . . . 0.0 111.197 -174.638 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 45.1 p -113.99 38.19 3.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.206 -174.813 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 98.1 t -105.61 118.4 55.59 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.237 -179.619 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_exo -54.67 135.0 65.36 Favored 'Trans proline' 0 N--CA 1.457 -0.619 0 C-N-CA 121.717 1.611 . . . . 0.0 111.174 177.278 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . 0.575 ' N ' ' CD ' ' A' ' 19' ' ' PRO . 94.4 m-85 -79.17 -40.96 1.57 Allowed Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.19 -177.767 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . 0.575 ' CD ' ' N ' ' A' ' 18' ' ' PHE . 64.0 Cg_exo -55.47 -27.34 58.51 Favored 'Trans proline' 0 N--CA 1.458 -0.592 0 C-N-CA 121.701 1.601 . . . . 0.0 111.158 178.855 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 91.5 mttt -86.91 -60.74 1.9 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.198 -177.456 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 50.4 tp -58.39 -40.31 82.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.178 -172.034 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 53.7 t -56.83 -43.99 81.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.335 178.912 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 95.6 p -80.49 -17.97 50.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.23 -175.823 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 93.9 m -85.23 -15.79 42.36 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.172 -179.911 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 30.7 m -109.33 -11.53 11.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.132 176.376 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 99.2 mt -113.58 22.06 14.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.211 172.644 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 4.3 t -63.73 147.77 50.84 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.226 174.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 99.8 m-20 -68.88 -18.34 64.12 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.133 178.7 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -97.44 -38.29 9.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.27 177.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 75.9 t80 -57.23 -49.86 74.68 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.114 176.446 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 81.0 m -64.96 -35.74 82.13 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.259 -172.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 87.3 mt-30 -64.19 -48.96 73.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.23 179.341 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 68.6 mm-40 -64.83 -42.62 94.79 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.222 176.362 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 33.3 tp -49.98 -50.07 48.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.211 177.027 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 94.4 mt -63.39 -40.02 87.5 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.19 -179.503 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 88.2 mt-30 -73.95 -12.28 60.6 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.125 -179.057 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 21.9 m-30 -89.68 -5.49 57.02 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.225 174.424 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 97.58 4.39 58.15 Favored Glycine 0 CA--C 1.523 0.58 0 N-CA-C 111.154 -0.778 . . . . 0.0 111.154 176.271 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.43 ' HA ' ' HB2' ' A' ' 6' ' ' LYS . 71.2 m-85 -94.37 122.66 37.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.757 0.313 . . . . 0.0 111.22 -176.734 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.463 ' HB ' ' HG3' ' A' ' 5' ' ' GLU . 97.2 t -118.0 -43.96 3.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.215 -177.182 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 97.7 mtt180 -87.4 83.87 7.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.244 -176.185 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 56.2 tp -81.36 94.56 6.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.17 -179.604 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 79.8 mt -96.79 111.71 27.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.165 -177.228 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 61.1 mt -105.78 117.23 51.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.183 -169.158 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 49.3 tt0 -100.07 106.25 17.98 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.176 -170.708 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 44.3 m-85 -110.06 170.5 8.03 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.218 175.476 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -94.99 -153.5 30.29 Favored Glycine 0 CA--C 1.524 0.594 0 N-CA-C 111.174 -0.77 . . . . 0.0 111.174 -179.281 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 85.6 mtp180 -83.51 -8.49 59.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.829 0.347 . . . . 0.0 111.202 -177.931 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 95.4 m-20 -91.21 5.68 48.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.159 -173.061 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 86.2 t80 -153.54 129.94 10.59 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.214 176.291 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 95.5 p -74.79 164.51 26.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.212 -178.37 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 68.6 m -84.89 60.0 5.93 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.248 179.258 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 53.3 mt-10 -122.98 113.05 18.55 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.142 -175.871 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 54.0 m-85 -120.93 11.13 10.99 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.179 177.607 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 86.8 tt0 -51.43 -40.0 58.49 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.273 -0.422 . . . . 0.0 111.144 -171.905 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 85.7 t60 -55.94 -59.36 5.0 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.214 -174.406 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 93.5 mt -74.98 -31.55 61.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.178 -174.751 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 51.4 t -70.13 -40.02 77.77 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.224 -178.66 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 97.9 mm-40 -77.14 -32.43 56.37 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.215 177.914 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 88.1 tt0 -57.01 -45.18 83.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.182 173.291 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 32.9 tpt180 -71.34 -41.68 69.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.168 173.404 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 115.03 120.84 3.42 Favored Glycine 0 CA--C 1.523 0.558 0 N-CA-C 111.201 -0.76 . . . . 0.0 111.201 177.707 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 170.42 -175.0 44.45 Favored Glycine 0 CA--C 1.522 0.511 0 N-CA-C 111.149 -0.781 . . . . 0.0 111.149 -178.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 97.4 mm-40 -110.1 156.12 20.99 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.809 0.338 . . . . 0.0 111.219 -179.268 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 7.2 tmm_? -134.96 130.29 35.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.172 -175.332 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 40.2 tt0 -144.83 125.96 14.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.185 177.198 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 66.7 m -71.45 144.82 49.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.216 178.076 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 91.7 mm-40 -127.75 121.48 30.37 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.212 -173.898 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -94.17 81.16 4.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.162 172.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.423 ' HB ' ' HB2' ' A' ' 77' ' ' CYS . 80.6 mt -94.51 125.38 51.99 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.134 -165.85 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 82.3 Cg_exo -52.53 135.04 54.58 Favored 'Trans proline' 0 N--CA 1.458 -0.611 0 C-N-CA 121.693 1.595 . . . . 0.0 111.22 -174.932 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 96.7 mt -74.29 -44.13 49.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.196 179.446 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 98.8 m-20 -64.98 -28.42 69.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.171 -176.572 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 99.0 mm-40 -90.05 -47.2 7.98 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.146 -177.275 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 90.5 m-85 -119.9 -40.51 2.73 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.157 -172.478 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 101.69 0.42 52.68 Favored Glycine 0 CA--C 1.523 0.578 0 N-CA-C 111.165 -0.774 . . . . 0.0 111.165 172.804 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' CYS . . . . . 0.423 ' HB2' ' HB ' ' A' ' 70' ' ' ILE . 80.3 m -75.06 -46.52 34.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.83 0.348 . . . . 0.0 111.214 -175.62 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 88.03 -161.32 31.67 Favored Glycine 0 CA--C 1.523 0.581 0 N-CA-C 111.169 -0.772 . . . . 0.0 111.169 176.899 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 96.6 m-20 -87.46 -19.7 27.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.867 0.365 . . . . 0.0 111.224 -178.774 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 25.8 p -82.88 57.99 4.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.23 -179.037 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -152.32 144.09 23.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.185 -175.284 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 81.6 mtt85 -139.98 146.77 39.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.253 -179.016 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 64.4 tt0 -100.21 121.05 40.84 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.154 -178.855 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' TYR . . . . . 0.552 ' HB2' ' HB ' ' A' ' 93' ' ' VAL . 65.4 m-85 -117.13 109.98 17.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.163 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 92.8 t -113.01 109.61 29.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.194 -177.584 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.477 ' N ' HD23 ' A' ' 86' ' ' LEU . 2.1 pt? -140.76 172.43 12.71 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.252 -166.435 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 94.0 mtp 63.09 53.3 2.33 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.175 178.875 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 95.7 m-20 65.06 24.0 12.5 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.165 179.856 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 76.09 16.35 80.75 Favored Glycine 0 CA--C 1.523 0.542 0 N-CA-C 111.25 -0.74 . . . . 0.0 111.25 179.563 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -87.08 -25.48 24.14 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.788 0.327 . . . . 0.0 111.209 -177.239 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 63.0 tp -114.51 129.58 56.67 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.2 179.665 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -114.12 94.46 4.82 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.201 176.724 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . 0.552 ' HB ' ' HB2' ' A' ' 84' ' ' TYR . 90.9 t -89.26 127.87 41.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.106 178.155 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 88.6 mt -124.33 119.13 55.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.157 -170.657 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -65.03 141.79 43.94 Favored Glycine 0 CA--C 1.523 0.584 0 N-CA-C 111.211 -0.756 . . . . 0.0 111.211 172.712 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 46.0 t80 -169.3 155.0 6.12 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.806 0.336 . . . . 0.0 111.165 -168.566 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 50.1 p30 -141.95 -165.04 1.92 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.159 -179.651 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 95.4 m-85 -82.42 133.35 35.21 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.154 -177.086 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 10.2 t -134.59 -171.62 2.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.182 -172.324 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 40.7 p -125.39 -75.54 0.59 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.216 -172.372 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -56.78 -37.95 71.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.211 -171.075 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 27.1 ptm -82.35 6.53 16.73 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.142 -167.887 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 77.9 mt-30 -64.8 -23.93 67.39 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.2 172.67 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 95.5 p -92.15 -24.95 18.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.185 174.58 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 92.6 mt -69.8 -42.06 79.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.204 176.626 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 97.2 mt -58.25 -36.2 56.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.207 179.846 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 36.0 ttm180 -57.62 -36.54 71.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.211 178.527 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 67.9 m-20 -110.29 39.36 2.2 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.218 178.069 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 109' ' ' TYR . . . . . . . . . . . . . 92.6 t80 -145.06 -54.93 0.31 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.192 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 79.8 p -73.04 163.14 28.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.156 -172.858 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 50.5 m-20 -112.59 -31.89 6.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.184 174.406 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 59.4 tp -146.19 139.73 26.08 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.257 178.427 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 58.3 t -125.22 124.18 66.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.189 175.693 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 97.6 mt -96.4 125.31 49.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.147 175.756 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 48.7 m -119.93 161.49 20.78 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.188 -174.397 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 34.1 t-80 -109.99 144.76 38.06 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.234 -176.455 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -72.27 151.18 42.98 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.207 178.533 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 84.95 3.59 87.72 Favored Glycine 0 CA--C 1.524 0.606 0 N-CA-C 111.193 -0.763 . . . . 0.0 111.193 175.635 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 59.9 p -131.21 -179.71 5.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.795 0.331 . . . . 0.0 111.216 -177.504 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -97.7 5.03 61.86 Favored Glycine 0 CA--C 1.524 0.603 0 N-CA-C 111.2 -0.76 . . . . 0.0 111.2 -178.136 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 95.2 p -66.39 -27.34 67.78 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.763 0.316 . . . . 0.0 111.202 178.345 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 122' ' ' ILE . . . . . . . . . . . . . 92.2 mt -70.08 -46.19 73.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.18 176.197 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 56.5 tp -55.56 -38.75 69.73 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.209 175.825 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 98.9 m-20 -57.61 -50.01 74.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.223 177.133 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 78.2 p -72.75 -20.97 61.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.146 -177.633 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 85.0 mt -74.39 -32.21 62.64 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.218 172.907 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 36.8 mmt180 -82.53 -24.96 33.82 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.232 175.369 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 94.7 mt -74.25 -18.74 60.69 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.243 171.364 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 96.5 m-20 67.16 38.6 3.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.134 178.503 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 37.1 mmtm -110.08 154.11 42.9 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.207 178.78 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_exo -52.92 127.46 24.95 Favored 'Trans proline' 0 N--CA 1.457 -0.64 0 C-N-CA 121.735 1.623 . . . . 0.0 111.237 178.347 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 57.5 tp -95.21 112.18 23.93 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.231 -168.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 87.6 mt -101.45 119.72 50.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.129 165.847 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 96.3 t -102.16 119.83 51.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.152 -177.066 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 135' ' ' CYS . . . . . . . . . . . . . 90.8 m -92.69 131.69 37.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.162 175.351 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 136' ' ' VAL . . . . . 0.442 HG22 ' HA ' ' A' ' 162' ' ' ALA . 30.1 m -78.98 163.81 3.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.137 178.717 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 15.1 t-20 . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.213 -175.995 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.061 0 CA-C-O 120.817 0.341 . . . . 0.0 111.215 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 99.1 m-20 -73.4 -48.16 36.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.137 -176.601 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 151' ' ' LYS . . . . . . . . . . . . . 74.7 mmtt -115.01 -59.82 1.97 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.168 -169.722 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 152' ' ' PHE . . . . . . . . . . . . . 90.3 t80 -55.11 -48.25 73.86 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.21 -168.434 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 153' ' ' VAL . . . . . . . . . . . . . 78.1 t -65.9 -30.17 49.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.225 -179.906 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 74.0 mm-40 -84.89 -3.42 58.69 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.168 -174.537 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 155' ' ' LEU . . . . . . . . . . . . . 87.7 mt -61.38 -34.79 75.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.175 178.053 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . 91.79 12.53 59.16 Favored Glycine 0 CA--C 1.523 0.559 0 N-CA-C 111.212 -0.755 . . . . 0.0 111.212 176.595 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 157' ' ' TYR . . . . . . . . . . . . . 95.2 m-85 -112.55 -43.29 3.5 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.839 0.352 . . . . 0.0 111.189 178.715 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 158' ' ' VAL . . . . . . . . . . . . . 66.6 t -131.89 132.11 61.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.128 -173.496 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 159' ' ' TRP . . . . . . . . . . . . . 63.4 t-105 -90.05 139.05 30.99 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.206 171.218 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 160' ' ' SER . . . . . . . . . . . . . 45.8 t -132.31 142.87 49.52 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.184 178.051 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 161' ' ' CYS . . . . . . . . . . . . . 31.6 p -154.14 175.08 13.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.2 -175.341 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 162' ' ' ALA . . . . . 0.442 ' HA ' HG22 ' A' ' 136' ' ' VAL . . . -83.24 140.17 42.23 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.218 176.043 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 163' ' ' PRO . . . . . . . . . . . . . 84.3 Cg_endo -78.18 65.12 8.45 Favored 'Trans proline' 0 N--CA 1.459 -0.557 0 C-N-CA 121.643 1.562 . . . . 0.0 111.22 179.793 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 164' ' ' THR . . . . . . . . . . . . . 18.8 p -125.03 179.93 4.83 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.174 178.616 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 165' ' ' GLU . . . . . . . . . . . . . 22.9 pt-20 -70.07 -10.04 57.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.213 178.685 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 166' ' ' THR . . . . . . . . . . . . . 74.0 p -111.99 -36.78 5.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.169 -178.707 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 167' ' ' GLY . . . . . . . . . . . . . . . -74.3 -37.12 48.7 Favored Glycine 0 CA--C 1.523 0.585 0 N-CA-C 111.161 -0.776 . . . . 0.0 111.161 -177.555 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 168' ' ' LEU . . . . . . . . . . . . . 96.3 mt -67.61 -31.52 71.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.798 0.332 . . . . 0.0 111.208 179.093 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 83.9 mt -64.56 -45.18 96.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.205 175.207 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 170' ' ' ALA . . . . . . . . . . . . . . . -62.68 -37.89 88.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.172 178.102 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 171' ' ' GLY . . . . . . . . . . . . . . . -62.96 -45.82 94.84 Favored Glycine 0 CA--C 1.523 0.578 0 N-CA-C 111.144 -0.782 . . . . 0.0 111.144 176.769 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 84.0 mt -61.43 -42.95 99.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.782 0.325 . . . . 0.0 111.135 179.476 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 173' ' ' ARG . . . . . . . . . . . . . 35.2 ttm180 -64.14 -40.1 95.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.204 178.422 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -64.95 -40.11 94.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.276 -178.26 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 60.5 p -64.98 -25.5 67.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.234 -177.922 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 176' ' ' GLN . . . . . . . . . . . . . 89.7 mm-40 -102.4 -27.6 12.72 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.156 -175.433 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 177' ' ' THR . . . . . . . . . . . . . 96.7 m -99.8 -53.53 3.15 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.168 -175.192 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 178' ' ' GLU . . . . . . . . . . . . . 75.7 mm-40 -82.14 141.74 32.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.236 -173.205 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 179' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -80.06 110.11 15.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.183 177.624 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 180' ' ' LEU . . . . . . . . . . . . . 93.7 mt . . . . . 0 C--N 1.33 -0.27 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.203 175.978 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.785 0.326 . . . . 0.0 111.232 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 88.8 mttt -74.5 151.47 39.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.211 -174.316 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . 0.466 ' HB3' ' HA ' ' A' ' 110' ' ' SER . . . -120.39 140.87 50.7 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.24 -176.878 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 63.2 tp -123.79 113.95 19.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.196 -173.916 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 62.4 t80 -89.71 106.55 18.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.17 -176.842 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 89.7 t -103.13 115.35 44.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.217 -177.459 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 96.4 m -101.74 110.21 22.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.172 176.566 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 90.1 m -79.81 140.42 36.86 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.233 -179.282 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -84.45 170.27 46.34 Favored Glycine 0 CA--C 1.523 0.574 0 N-CA-C 111.233 -0.747 . . . . 0.0 111.233 -179.231 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -97.53 -5.01 36.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.776 0.322 . . . . 0.0 111.162 -178.113 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 69.5 p -87.63 -19.46 27.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.21 -178.556 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 79.6 t -114.87 130.17 24.4 Favored Pre-proline 0 C--N 1.33 -0.249 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.152 176.458 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 85.6 Cg_exo -48.55 126.87 15.01 Favored 'Trans proline' 0 N--CA 1.459 -0.557 0 C-N-CA 121.674 1.583 . . . . 0.0 111.209 177.611 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . 0.532 ' HB2' ' HD3' ' A' ' 19' ' ' PRO . 18.3 m-85 -61.58 -44.55 92.11 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.242 -175.247 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . 0.532 ' HD3' ' HB2' ' A' ' 18' ' ' PHE . 67.8 Cg_exo -55.02 -35.15 89.48 Favored 'Trans proline' 0 N--CA 1.458 -0.588 0 C-N-CA 121.725 1.617 . . . . 0.0 111.178 178.289 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -91.87 -18.85 23.19 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.237 -176.215 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 36.6 tp -81.28 -38.85 26.16 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.231 -177.353 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 27.1 m -67.42 -17.17 22.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.208 -175.66 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 60.5 p -66.96 -16.42 64.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.192 179.875 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 78.0 m -84.82 -14.96 46.45 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.246 -179.853 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 35.7 m -118.75 -3.58 10.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.186 -179.089 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 96.2 mt -117.28 12.43 14.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.161 179.11 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 69.6 p -74.97 159.95 31.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.162 178.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 98.9 m-20 -62.87 -36.92 84.87 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.171 177.43 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 76.7 mm-40 -71.99 -43.85 64.42 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.242 -178.755 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 46.8 t80 -64.95 -49.24 71.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.21 -179.096 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 81.2 m -67.62 -40.03 84.69 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.207 -174.518 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 66.3 tt0 -56.7 -55.81 29.41 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.245 175.749 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . 0.426 ' HB2' HG12 ' A' ' 169' ' ' ILE . 69.7 mm-40 -64.39 -40.7 96.33 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.204 179.356 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 37.9 tp -48.07 -50.92 26.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.225 174.459 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 94.3 mt -62.44 -40.06 86.67 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.196 178.582 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 99.8 mm-40 -64.86 -23.87 67.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.236 -179.147 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 13.7 m-30 -87.34 -5.02 59.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.154 -179.802 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 99.63 5.06 55.7 Favored Glycine 0 CA--C 1.524 0.597 0 N-CA-C 111.266 -0.734 . . . . 0.0 111.266 176.201 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 68.4 m-85 -96.24 122.31 38.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.83 0.348 . . . . 0.0 111.213 -175.908 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 34.0 m -130.28 -11.3 2.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.188 -178.492 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 74.9 mtm180 -107.16 88.07 2.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.244 -179.762 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 53.0 tp -90.55 124.71 35.24 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.193 -175.898 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.449 HG23 ' CD1' ' A' ' 96' ' ' PHE . 3.3 mp -109.93 123.05 65.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.214 177.892 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 80.9 mt -118.65 111.69 34.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.111 179.31 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 62.3 tp60 -85.11 126.95 34.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.205 -175.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 52.4 m-85 -110.08 155.02 22.44 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.19 173.117 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -80.34 -171.24 43.06 Favored Glycine 0 CA--C 1.524 0.641 0 N-CA-C 111.145 -0.782 . . . . 0.0 111.145 178.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 83.4 mtp180 -79.96 -19.97 46.69 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.827 0.346 . . . . 0.0 111.215 -176.733 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 72.6 m-80 -104.74 14.88 28.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.208 -178.227 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 81.9 m-85 -130.78 150.49 51.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.17 -176.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 41.1 t -120.75 120.34 35.35 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.215 -174.735 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 60.6 p -69.86 86.61 0.51 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.19 176.497 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -123.19 106.87 11.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.222 177.806 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 23.1 m-85 -114.88 17.96 16.71 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.213 178.742 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 85.8 tt0 -57.49 -35.59 70.41 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.217 -175.925 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 43.0 p-80 -79.56 -10.89 59.88 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.231 -177.719 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 98.9 mt -96.95 -37.19 10.29 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.231 -177.116 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 22.5 m -68.64 -17.15 21.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.206 -179.023 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 88.8 mt-30 -64.54 -27.22 68.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.165 171.049 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 94.2 mt-10 -104.97 18.78 21.76 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.227 176.382 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 89.2 mmt-85 -129.56 -0.02 4.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.142 178.611 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 76.28 39.57 31.04 Favored Glycine 0 CA--C 1.523 0.538 0 N-CA-C 111.208 -0.757 . . . . 0.0 111.208 173.673 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -147.92 -146.37 4.33 Favored Glycine 0 CA--C 1.524 0.616 0 N-CA-C 111.197 -0.761 . . . . 0.0 111.197 -179.266 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 20.4 pt20 -168.57 171.3 8.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.814 0.34 . . . . 0.0 111.163 -172.591 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 67.3 ttp85 -99.97 140.02 34.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.207 179.767 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 87.3 tt0 -147.86 113.51 5.69 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.236 174.343 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 39.9 t -69.93 134.43 48.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.136 174.034 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 17.0 mm-40 -129.57 141.28 50.99 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.19 -176.11 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -95.06 65.02 2.84 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.214 172.455 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 86.7 mt -79.37 133.43 60.13 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.159 -178.615 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 56.0 Cg_endo -72.2 171.09 17.55 Favored 'Trans proline' 0 N--CA 1.458 -0.598 0 C-N-CA 121.699 1.599 . . . . 0.0 111.227 -176.55 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 47.7 pt -81.9 -8.51 11.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.182 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 69.7 m-20 -89.63 -23.31 21.95 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.171 -179.103 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 63.6 tp60 -82.24 -67.28 0.8 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.218 -177.21 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' PHE . . . . . 0.427 ' HB2' ' SG ' ' A' ' 77' ' ' CYS . 51.0 m-85 -125.7 2.36 7.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.257 -179.835 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 83.26 39.46 9.92 Favored Glycine 0 CA--C 1.524 0.612 0 N-CA-C 111.148 -0.781 . . . . 0.0 111.148 -179.321 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' CYS . . . . . 0.427 ' SG ' ' HB2' ' A' ' 75' ' ' PHE . 72.5 m -112.28 -178.33 3.39 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.838 0.351 . . . . 0.0 111.191 -173.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -139.49 -143.39 4.39 Favored Glycine 0 CA--C 1.523 0.541 0 N-CA-C 111.226 -0.75 . . . . 0.0 111.226 176.232 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 55.8 p-10 -102.51 8.45 39.93 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.812 0.339 . . . . 0.0 111.289 -175.252 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 73.2 p -121.39 28.79 7.57 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.241 171.781 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -93.15 137.25 32.66 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.173 171.757 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 95.9 mtt180 -122.39 112.52 18.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.162 -175.27 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 56.3 tt0 -78.58 137.33 37.82 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.213 179.192 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 96.4 m-85 -130.02 134.78 47.64 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.19 178.639 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.453 HG13 ' HA2' ' A' ' 89' ' ' GLY . 86.3 t -91.72 117.21 34.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.166 176.698 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 4.0 mp -122.16 156.54 33.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.206 179.598 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 83.8 mmm 59.96 38.76 20.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.205 174.836 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 78.0 m-20 60.31 34.86 20.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.183 177.075 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . 0.453 ' HA2' HG13 ' A' ' 85' ' ' VAL . . . 94.3 2.94 63.56 Favored Glycine 0 CA--C 1.523 0.562 0 N-CA-C 111.156 -0.777 . . . . 0.0 111.156 172.643 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -85.96 -22.01 27.58 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.775 0.322 . . . . 0.0 111.195 -178.331 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 61.4 tp -123.59 133.01 54.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.131 179.44 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -109.5 108.63 19.18 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.222 177.423 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 60.5 t -108.75 124.45 65.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.199 -178.491 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 82.1 mt -114.71 120.56 64.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.174 178.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -85.0 133.97 12.24 Favored Glycine 0 CA--C 1.523 0.589 0 N-CA-C 111.2 -0.76 . . . . 0.0 111.2 174.861 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 96' ' ' PHE . . . . . 0.449 ' CD1' HG23 ' A' ' 43' ' ' ILE . 61.7 m-85 -114.87 107.77 15.85 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.813 0.34 . . . . 0.0 111.16 -175.013 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 70.4 m-20 -94.31 67.15 3.48 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.23 171.298 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 91.6 m-85 -129.63 164.69 23.35 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.218 -177.199 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 77.3 p -75.12 -176.29 2.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.142 173.176 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 68.6 p -74.89 -5.42 43.6 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.173 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -63.86 -30.07 71.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.226 176.088 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 24.5 mmt -91.33 -0.31 57.64 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.207 -179.439 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 29.2 tt0 -64.27 -60.09 3.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.264 -176.505 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 73.7 m -65.11 -32.8 74.68 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.259 -179.061 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 95.9 mt -61.7 -46.38 96.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.255 179.081 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 84.8 mt -72.61 -38.06 58.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.157 -179.08 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 42.2 mtm105 -61.83 -26.19 67.97 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.21 -176.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 99.0 m-20 -64.36 -23.63 67.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.236 176.441 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 109' ' ' TYR . . . . . . . . . . . . . 96.3 m-85 -97.26 -24.0 15.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.207 -179.909 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 110' ' ' SER . . . . . 0.466 ' HA ' ' HB3' ' A' ' 7' ' ' ALA . 54.6 p -70.65 163.58 26.76 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.246 179.722 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 61.9 m-20 -108.97 -40.48 5.0 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.187 176.068 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 94.4 mt -123.93 154.84 39.17 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.234 173.892 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 94.6 t -124.08 124.96 70.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.228 -179.379 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 97.6 mt -105.85 129.04 59.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.169 174.396 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 33.3 t -115.09 114.45 25.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.151 177.141 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 86.8 m-70 -86.87 143.12 27.58 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.187 -178.792 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . 54.89 50.65 15.15 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.195 170.678 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 128.59 -173.33 19.22 Favored Glycine 0 CA--C 1.524 0.596 0 N-CA-C 111.211 -0.755 . . . . 0.0 111.211 176.682 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 57.9 p -109.32 35.38 3.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.769 0.318 . . . . 0.0 111.187 -173.884 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -58.2 -41.21 94.68 Favored Glycine 0 CA--C 1.523 0.586 0 N-CA-C 111.159 -0.776 . . . . 0.0 111.159 -172.594 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 71.0 m -109.13 30.4 6.61 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.804 0.335 . . . . 0.0 111.219 -175.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 122' ' ' ILE . . . . . . . . . . . . . 48.8 mm -104.81 -52.77 7.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.193 178.572 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 97.9 mt -66.09 -22.8 66.42 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.093 175.711 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 94.9 m-20 -78.66 -17.95 55.18 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.223 177.555 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 39.4 m -114.87 35.0 4.5 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.217 -170.603 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 94.5 mt -89.97 -25.98 20.61 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.235 -179.414 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 98.5 mtt180 -78.02 -22.64 48.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.223 179.233 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 93.7 mt -66.81 -34.6 78.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.233 175.689 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 78.8 m-20 64.97 35.02 8.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.189 -179.813 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 40.5 mmtm -114.03 153.74 46.17 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.185 179.652 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_exo -49.59 123.74 10.98 Favored 'Trans proline' 0 N--CA 1.458 -0.61 0 C-N-CA 121.603 1.535 . . . . 0.0 111.293 175.334 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 81.4 mt -108.2 139.97 42.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.198 -176.832 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 87.3 mt -116.4 130.24 71.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.223 -177.224 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 86.3 t -116.22 125.01 73.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.197 172.283 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 135' ' ' CYS . . . . . . . . . . . . . 47.2 t -105.57 110.02 22.2 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.224 178.75 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 97.0 t -75.71 135.6 26.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.163 -175.344 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 42.1 p30 . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.19 -175.699 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.807 0.337 . . . . 0.0 111.163 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 95.7 m-20 -58.68 -41.85 87.13 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.196 -179.221 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 151' ' ' LYS . . . . . . . . . . . . . 96.5 mttt -73.66 -30.74 63.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.204 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 152' ' ' PHE . . . . . . . . . . . . . 15.5 m-30 -69.98 -28.45 65.55 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.225 175.395 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 153' ' ' VAL . . . . . . . . . . . . . 55.1 t -69.73 -40.04 78.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.198 171.623 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -61.41 -35.19 76.84 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.168 175.294 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 155' ' ' LEU . . . . . . . . . . . . . 82.2 mt -68.23 -50.21 55.56 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.297 173.15 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . 84.96 16.63 64.83 Favored Glycine 0 CA--C 1.524 0.629 0 N-CA-C 111.19 -0.764 . . . . 0.0 111.19 168.912 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 157' ' ' TYR . . . . . . . . . . . . . 54.4 p90 -143.8 8.12 1.48 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.803 0.335 . . . . 0.0 111.142 175.695 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 158' ' ' VAL . . . . . . . . . . . . . 55.7 t -120.21 134.49 63.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.244 -178.083 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 159' ' ' TRP . . . . . . . . . . . . . 81.0 m95 -97.73 146.64 25.16 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.159 175.431 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 160' ' ' SER . . . . . . . . . . . . . 41.3 t -110.45 115.68 30.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.158 174.139 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 161' ' ' CYS . . . . . . . . . . . . . 92.9 m -114.03 149.64 35.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.222 -178.746 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -81.63 159.62 66.23 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.214 174.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 163' ' ' PRO . . . . . . . . . . . . . 89.9 Cg_endo -78.47 60.75 7.67 Favored 'Trans proline' 0 N--CA 1.458 -0.593 0 C-N-CA 121.763 1.642 . . . . 0.0 111.175 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 164' ' ' THR . . . . . . . . . . . . . 36.7 p -136.05 173.66 11.47 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.197 178.735 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 165' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -70.62 -29.23 65.56 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.198 -178.631 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 166' ' ' THR . . . . . . . . . . . . . 81.9 p -103.55 -21.25 13.78 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.253 -174.083 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 167' ' ' GLY . . . . . . . . . . . . . . . -66.33 -37.43 92.82 Favored Glycine 0 CA--C 1.524 0.604 0 N-CA-C 111.209 -0.756 . . . . 0.0 111.209 -179.274 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 168' ' ' LEU . . . . . . . . . . . . . 52.2 tp -74.89 -47.82 28.05 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.798 0.333 . . . . 0.0 111.2 -177.906 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 169' ' ' ILE . . . . . 0.426 HG12 ' HB2' ' A' ' 33' ' ' GLU . 10.4 tp -65.27 -25.35 37.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.18 -177.672 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 170' ' ' ALA . . . . . . . . . . . . . . . -65.16 -41.5 94.62 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.215 174.466 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 171' ' ' GLY . . . . . . . . . . . . . . . -69.26 -34.4 75.03 Favored Glycine 0 CA--C 1.524 0.629 0 N-CA-C 111.167 -0.773 . . . . 0.0 111.167 177.846 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 30.6 tp -65.07 -39.96 94.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.81 0.338 . . . . 0.0 111.235 176.12 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 173' ' ' ARG . . . . . . . . . . . . . 40.6 ttm180 -58.96 -46.06 88.98 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.208 171.497 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -57.77 -38.71 75.91 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.199 -177.904 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 73.7 m -57.57 -36.7 72.04 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.23 177.295 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 176' ' ' GLN . . . . . . . . . . . . . 91.7 mm-40 -97.78 -4.96 35.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.104 -173.647 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 177' ' ' THR . . . . . . . . . . . . . 93.3 m -113.82 -50.15 2.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.181 -174.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 178' ' ' GLU . . . . . . . . . . . . . 72.4 mm-40 -93.16 155.11 17.67 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.215 -176.212 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 179' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -95.49 120.4 35.68 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.249 -177.535 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 180' ' ' LEU . . . . . . . . . . . . . 95.2 mt . . . . . 0 C--N 1.328 -0.349 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.205 173.023 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.792 0.329 . . . . 0.0 111.177 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 68.0 mmtt -61.03 111.93 1.88 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.198 -172.608 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -125.23 130.24 51.69 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.227 -175.893 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 60.5 tp -106.54 126.45 52.28 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.195 178.338 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 67.0 t80 -106.77 119.93 40.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.291 -177.634 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 89.7 t -105.64 131.83 54.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.162 177.523 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 96.8 m -113.62 123.23 49.45 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.216 -175.855 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 75.2 m -94.62 144.58 25.49 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.257 166.5 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -63.38 138.08 43.06 Favored Glycine 0 CA--C 1.523 0.562 0 N-CA-C 111.243 -0.743 . . . . 0.0 111.243 -178.594 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.16 -34.13 76.97 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.798 0.332 . . . . 0.0 111.236 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 82.4 p -108.47 -24.93 11.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.215 177.68 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 44.2 t -125.01 87.16 55.8 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.236 179.662 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 57.3 Cg_endo -68.29 154.97 70.95 Favored 'Trans proline' 0 N--CA 1.458 -0.58 0 C-N-CA 121.719 1.613 . . . . 0.0 111.184 177.716 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 78.7 m-85 -127.91 75.02 78.61 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.215 -176.519 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 37.9 Cg_endo -66.59 -24.81 47.98 Favored 'Trans proline' 0 N--CA 1.457 -0.62 0 C-N-CA 121.724 1.616 . . . . 0.0 111.169 -179.209 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -64.6 -38.61 91.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.249 179.261 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 95.1 mt -79.74 -35.86 38.16 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.117 -179.816 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 65.6 t -69.99 -29.76 41.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.174 -179.755 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 56.0 p -65.03 -23.16 67.11 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.206 178.824 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 95.6 m -90.1 -39.68 12.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.174 -175.168 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 18.1 m -70.66 -18.27 20.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.171 -178.832 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 96.4 mt -94.07 -6.57 44.81 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.185 177.41 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 47.8 m -77.31 151.3 35.06 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.186 178.374 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 99.1 m-20 -62.42 -34.07 76.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.235 -175.135 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -61.09 -47.42 86.37 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.237 -178.237 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 52.4 t80 -65.53 -46.42 79.66 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.146 176.811 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 87.0 m -64.98 -29.84 70.79 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.212 -175.065 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 72.2 tp60 -64.45 -47.61 78.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.189 176.717 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 69.9 mm-40 -68.69 -37.73 79.78 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.2 175.921 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 48.8 tp -54.93 -53.28 57.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.202 177.583 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 97.7 mt -64.91 -36.36 77.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.242 178.126 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 71.9 tp60 -60.03 -29.99 68.88 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.213 176.926 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 16.5 m-30 -83.77 -6.54 59.46 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.189 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 106.8 -4.69 36.58 Favored Glycine 0 CA--C 1.524 0.615 0 N-CA-C 111.206 -0.757 . . . . 0.0 111.206 177.179 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 57.0 m-85 -88.53 123.33 32.93 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.757 0.313 . . . . 0.0 111.233 -174.58 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 29.3 m -124.6 -4.91 6.45 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.25 -174.255 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 87.0 mtt-85 -122.29 133.83 54.67 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.152 176.731 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 64.5 tp -135.79 114.84 12.26 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.258 -175.163 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 4.7 mp -115.32 120.07 63.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.257 -173.61 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 5.1 mp -110.2 116.13 51.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.21 -177.158 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 1.2 tm0? -86.18 128.81 34.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.296 176.501 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 33.8 p90 -146.58 179.86 7.26 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.135 178.725 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -137.51 89.01 0.21 Allowed Glycine 0 CA--C 1.525 0.667 0 N-CA-C 111.168 -0.773 . . . . 0.0 111.168 -158.546 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 85.3 mtp180 68.0 -107.93 0.09 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.823 0.344 . . . . 0.0 111.172 165.736 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 97.1 m-20 -58.77 -29.89 67.14 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.235 -169.342 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 70.4 t80 -55.57 -33.62 64.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.231 179.186 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 85.9 p -52.91 -31.54 40.46 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.156 -174.399 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 73.6 m -61.68 -39.65 92.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.182 177.493 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 75.6 mm-40 -79.92 -34.25 39.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.255 178.61 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 88.2 t80 -59.09 -48.35 81.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.218 -179.03 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 84.6 tt0 -57.34 -38.62 74.41 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.202 176.516 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 67.0 m170 -69.79 -31.77 69.88 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.227 179.906 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 91.8 mt -70.82 -30.79 67.32 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.203 177.106 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 71.2 t -74.97 -39.09 44.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.212 172.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 98.1 mm-40 -79.78 -8.57 59.34 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.184 179.147 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 52.3 tp10 -65.81 -30.01 70.57 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.243 170.178 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 41.0 mmt180 -109.7 -0.04 18.72 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.159 179.468 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 82.02 38.74 12.69 Favored Glycine 0 CA--C 1.524 0.633 0 N-CA-C 111.146 -0.781 . . . . 0.0 111.146 172.479 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -77.64 174.44 54.74 Favored Glycine 0 CA--C 1.523 0.593 0 N-CA-C 111.151 -0.78 . . . . 0.0 111.151 175.874 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 65.5 tp60 -120.85 120.03 34.36 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.81 0.338 . . . . 0.0 111.236 -179.882 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 62.0 ttp85 -82.27 134.97 35.3 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.234 174.328 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -136.28 142.51 43.95 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.238 178.835 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 38.0 t -90.94 105.66 17.98 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.203 179.427 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 90.7 mm-40 -124.93 153.14 43.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.236 -178.613 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -90.77 74.95 6.56 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.201 177.543 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 49.9 mm -65.99 118.46 52.51 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.263 -175.352 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 77.1 Cg_exo -58.96 156.96 30.93 Favored 'Trans proline' 0 N--CA 1.458 -0.617 0 C-N-CA 121.722 1.615 . . . . 0.0 111.189 -174.315 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 96.8 mt -87.33 -40.2 13.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.16 173.322 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 15.7 p-10 -77.27 -16.32 59.04 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.264 -172.874 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 96.8 mm-40 -108.39 -22.77 12.18 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.196 -179.032 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 84.5 m-85 -129.12 -59.99 1.09 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.127 177.354 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 121.46 24.25 2.43 Favored Glycine 0 CA--C 1.523 0.564 0 N-CA-C 111.16 -0.776 . . . . 0.0 111.16 -178.111 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 76.7 m -112.47 147.05 37.34 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.738 0.304 . . . . 0.0 111.203 -178.763 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -97.91 -137.85 9.88 Favored Glycine 0 CA--C 1.524 0.641 0 N-CA-C 111.179 -0.768 . . . . 0.0 111.179 175.482 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 58.4 p-10 -91.1 10.19 27.86 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.801 0.334 . . . . 0.0 111.213 174.19 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 41.8 p -109.44 37.37 2.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.197 179.042 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.402 ' HA ' ' O ' ' A' ' 95' ' ' GLY . . . -141.34 150.95 43.14 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.218 177.118 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 90.2 mmt-85 -135.53 150.48 49.76 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.202 -174.836 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 30.4 tt0 -92.16 129.97 37.99 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.225 -179.799 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' TYR . . . . . 0.457 ' HB2' ' HB ' ' A' ' 93' ' ' VAL . 91.1 m-85 -122.9 120.56 33.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.198 -179.796 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 87.4 t -91.91 121.95 42.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.183 -176.547 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 95.3 mt -127.96 163.37 24.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.221 173.308 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 85.6 mmm 62.39 30.03 17.29 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.222 176.122 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 96.4 m-20 64.97 33.97 9.36 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.202 176.79 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 95.96 -3.15 64.54 Favored Glycine 0 CA--C 1.524 0.603 0 N-CA-C 111.202 -0.759 . . . . 0.0 111.202 175.476 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -79.61 -24.99 41.58 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.783 0.325 . . . . 0.0 111.204 -178.564 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 66.2 tp -116.08 120.07 37.89 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.177 176.625 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -98.65 103.2 15.13 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.224 178.119 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . 0.457 ' HB ' ' HB2' ' A' ' 84' ' ' TYR . 81.7 t -97.66 138.47 22.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.164 -177.314 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 86.4 mt -118.84 117.16 53.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.193 175.521 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . 0.402 ' O ' ' HA ' ' A' ' 81' ' ' ALA . . . -83.09 120.59 5.2 Favored Glycine 0 CA--C 1.524 0.597 0 N-CA-C 111.196 -0.762 . . . . 0.0 111.196 171.192 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 49.8 t80 -123.77 118.96 28.36 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.821 0.343 . . . . 0.0 111.225 -170.55 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 65.3 t0 -124.69 100.32 6.58 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.192 177.396 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 22.8 t80 -166.42 164.98 17.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.166 179.824 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 82.8 p -70.01 180.0 2.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.161 179.463 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 100' ' ' THR . . . . . 0.403 ' HA ' ' HB2' ' A' ' 103' ' ' GLN . 80.7 p -71.86 -5.85 37.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.166 -171.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -59.97 -29.73 68.63 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.158 -179.127 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 66.9 mtt -124.94 -4.91 7.48 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.238 -175.475 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 103' ' ' GLN . . . . . 0.412 ' HB3' ' NH1' ' A' ' 107' ' ' ARG . 78.1 mt-30 -64.43 -44.21 91.91 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.175 172.347 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 75.1 m -69.17 -25.41 64.34 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.21 -176.014 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 96.4 mt -64.13 -48.15 87.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.228 173.425 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 97.8 mt -66.82 -40.18 85.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.17 176.437 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 107' ' ' ARG . . . . . 0.412 ' NH1' ' HB3' ' A' ' 103' ' ' GLN . 86.9 mtm-85 -60.08 -42.57 94.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.14 177.055 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -64.77 -34.85 79.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.238 179.067 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 109' ' ' TYR . . . . . . . . . . . . . 13.9 m-30 -75.91 -35.6 59.73 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.134 178.397 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 59.7 p -70.12 169.75 12.9 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.249 -173.717 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 46.5 m-20 -110.41 -40.61 4.59 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.213 -177.765 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 88.3 mt -124.85 147.82 48.57 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.205 177.332 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 96.9 t -122.46 125.43 72.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.204 173.514 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 87.2 mt -115.96 132.3 65.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.164 176.439 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 13.2 t -157.16 -171.46 3.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.235 175.586 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 59.0 t-80 -103.43 160.7 14.48 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.16 177.107 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -50.8 137.38 20.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.263 172.497 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 161.25 167.4 21.66 Favored Glycine 0 CA--C 1.523 0.59 0 N-CA-C 111.169 -0.772 . . . . 0.0 111.169 -175.144 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 40.5 p -73.63 -69.95 0.4 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.898 0.38 . . . . 0.0 111.2 -173.077 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -57.18 -36.94 77.54 Favored Glycine 0 CA--C 1.523 0.584 0 N-CA-C 111.198 -0.761 . . . . 0.0 111.198 179.637 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 39.3 t -58.22 -57.24 13.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.782 0.325 . . . . 0.0 111.21 -178.892 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 122' ' ' ILE . . . . . . . . . . . . . 93.9 mt -62.28 -38.39 80.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.188 -178.702 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 81.2 mt -61.86 -40.42 95.28 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.237 -175.21 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 87.1 m-20 -62.31 -49.96 73.56 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.189 -165.789 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 21.5 t -69.0 -41.94 77.13 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.212 -176.746 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 94.0 mt -75.32 -17.46 60.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.247 -177.441 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 44.9 ttm105 -59.49 -39.05 82.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.13 172.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 87.1 mt -103.58 4.89 36.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.255 178.567 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 92.8 m-20 64.98 34.49 8.88 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.156 177.474 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 33.3 mmtp -92.95 147.05 33.17 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.203 177.141 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_exo -53.5 126.69 22.57 Favored 'Trans proline' 0 N--CA 1.458 -0.588 0 C-N-CA 121.742 1.628 . . . . 0.0 111.188 178.779 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 53.6 tp -118.54 130.85 56.14 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.118 -175.628 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 5.4 mp -109.93 117.03 53.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.103 -0.498 . . . . 0.0 111.224 172.07 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 95.0 t -108.77 114.96 48.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.219 -173.679 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 135' ' ' CYS . . . . . . . . . . . . . 93.0 m -78.27 131.27 37.02 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.239 170.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 82.4 t -118.53 106.01 18.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.241 -178.023 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 48.7 p30 . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.174 176.47 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.803 0.335 . . . . 0.0 111.182 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 96.5 m-20 -71.91 -36.33 69.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.217 -176.293 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 151' ' ' LYS . . . . . . . . . . . . . 47.4 mmtm -79.73 -38.13 34.0 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.188 -174.597 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 152' ' ' PHE . . . . . 0.424 ' HB3' ' HB ' ' A' ' 158' ' ' VAL . 8.1 m-30 -55.05 -47.07 75.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.202 179.55 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 153' ' ' VAL . . . . . . . . . . . . . 70.1 t -76.71 -45.39 32.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.153 -179.192 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 89.1 tt0 -54.61 -40.15 68.61 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.216 178.724 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 155' ' ' LEU . . . . . . . . . . . . . 96.0 mt -84.86 -25.15 28.21 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.25 -177.3 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . 84.99 40.78 7.88 Favored Glycine 0 CA--C 1.523 0.554 0 N-CA-C 111.222 -0.751 . . . . 0.0 111.222 169.942 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 157' ' ' TYR . . . . . . . . . . . . . 69.2 m-85 -119.21 -30.07 5.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.807 0.337 . . . . 0.0 111.205 178.677 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 158' ' ' VAL . . . . . 0.424 ' HB ' ' HB3' ' A' ' 152' ' ' PHE . 77.5 t -141.04 141.31 31.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.224 179.036 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 159' ' ' TRP . . . . . . . . . . . . . 72.6 t-105 -101.56 120.0 39.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.186 179.22 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 160' ' ' SER . . . . . . . . . . . . . 92.0 p -89.42 152.91 21.23 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.193 176.671 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 161' ' ' CYS . . . . . . . . . . . . . 28.7 p -155.01 175.01 14.36 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.19 177.831 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -80.61 145.49 58.72 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.251 175.602 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 163' ' ' PRO . . . . . . . . . . . . . 85.3 Cg_endo -79.49 63.97 8.79 Favored 'Trans proline' 0 N--CA 1.458 -0.599 0 C-N-CA 121.682 1.588 . . . . 0.0 111.216 -179.265 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 164' ' ' THR . . . . . . . . . . . . . 25.0 p -134.39 174.42 10.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.109 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 165' ' ' GLU . . . . . . . . . . . . . 24.5 pm0 -70.55 -10.89 60.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.199 177.02 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 166' ' ' THR . . . . . . . . . . . . . 82.5 p -103.55 -30.14 10.7 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.24 179.501 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 167' ' ' GLY . . . . . . . . . . . . . . . -75.13 -31.39 57.61 Favored Glycine 0 CA--C 1.523 0.555 0 N-CA-C 111.157 -0.777 . . . . 0.0 111.157 175.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 168' ' ' LEU . . . . . . . . . . . . . 76.3 mt -66.1 -42.79 88.77 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.843 0.354 . . . . 0.0 111.19 174.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 93.1 mt -69.99 -43.27 79.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.169 177.388 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 170' ' ' ALA . . . . . . . . . . . . . . . -61.96 -44.36 96.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.269 -179.909 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 171' ' ' GLY . . . . . . . . . . . . . . . -68.72 -39.67 85.91 Favored Glycine 0 CA--C 1.523 0.547 0 N-CA-C 111.194 -0.762 . . . . 0.0 111.194 178.433 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 65.4 tp -56.11 -48.21 76.62 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.803 0.335 . . . . 0.0 111.24 175.868 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 173' ' ' ARG . . . . . . . . . . . . . 38.7 ttm180 -65.51 -44.36 87.21 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.232 177.22 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -61.24 -38.97 88.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.175 -174.521 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 88.0 p -69.9 -22.01 63.26 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.254 -179.001 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 176' ' ' GLN . . . . . . . . . . . . . 50.1 tt0 -85.13 -36.34 21.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.174 177.355 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 177' ' ' THR . . . . . . . . . . . . . 81.3 p -87.53 -19.86 27.3 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.18 -177.471 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 178' ' ' GLU . . . . . . . . . . . . . 93.5 mt-10 -125.0 94.83 4.29 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.233 178.717 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 179' ' ' LYS . . . . . . . . . . . . . 88.6 tttt -57.73 123.61 16.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.213 179.519 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 180' ' ' LEU . . . . . . . . . . . . . 95.7 mt . . . . . 0 C--N 1.329 -0.326 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.246 179.217 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.866 0.365 . . . . 0.0 111.135 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 90.3 mttt -93.95 145.5 24.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.166 -176.184 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . 0.403 ' HB3' ' HA ' ' A' ' 110' ' ' SER . . . -112.55 127.38 56.06 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.235 178.286 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 22.9 tp -103.4 136.82 42.45 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.184 179.391 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 2.0 t80 -111.87 109.61 19.5 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.237 -179.714 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 87.6 t -106.56 114.99 47.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.174 178.31 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 78.5 p -87.37 134.31 33.59 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.225 179.193 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 20.0 t -144.72 70.27 1.28 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.253 173.006 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -78.34 -175.52 45.37 Favored Glycine 0 CA--C 1.523 0.594 0 N-CA-C 111.147 -0.781 . . . . 0.0 111.147 -179.827 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -57.89 -36.68 72.75 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.817 0.342 . . . . 0.0 111.203 -175.082 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 82.7 p -91.41 5.17 50.41 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.188 -172.712 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 96.0 t -97.68 108.39 45.3 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.19 179.396 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 94.7 Cg_endo -75.31 -109.64 0.01 OUTLIER 'Trans proline' 0 N--CA 1.458 -0.609 0 C-N-CA 121.691 1.594 . . . . 0.0 111.217 175.207 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 95.4 m-85 53.41 57.98 13.73 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.21 176.37 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 38.7 Cg_endo -64.49 -18.93 64.59 Favored 'Trans proline' 0 N--CA 1.459 -0.551 0 C-N-CA 121.716 1.61 . . . . 0.0 111.168 178.447 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 74.0 mmtt -78.37 -33.11 49.13 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.231 177.315 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 70.7 mt -78.57 -26.47 45.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.219 177.32 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 55.7 t -61.28 -38.79 80.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.22 171.493 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 99.2 p -82.26 -27.55 32.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.162 178.047 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 41.8 t -66.11 -46.34 77.95 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.178 -176.497 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 16.3 m -62.54 -19.83 23.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.179 -170.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 91.5 mt -119.53 35.55 4.8 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.246 176.11 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 57.6 p -96.34 163.0 13.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.251 172.338 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 97.5 m-20 -70.02 -39.74 75.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.213 178.732 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -70.23 -42.61 72.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.228 -178.154 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 70.6 t80 -60.74 -54.73 41.64 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.157 179.022 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 96.7 m -64.94 -35.21 80.43 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.247 -174.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 65.8 tt0 -59.6 -58.33 9.05 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.173 179.597 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 90.6 mt-10 -75.04 -26.73 59.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.192 -176.017 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 46.5 tp -53.02 -50.73 63.66 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.267 172.654 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 91.5 mt -60.87 -38.25 78.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.172 176.086 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 88.8 mt-30 -67.74 -20.0 65.2 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.234 178.926 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 22.6 m-30 -84.46 -5.98 59.34 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.191 176.302 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 103.01 0.64 48.35 Favored Glycine 0 CA--C 1.523 0.567 0 N-CA-C 111.224 -0.751 . . . . 0.0 111.224 179.034 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 89.5 m-85 -100.11 99.85 10.63 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.773 0.321 . . . . 0.0 111.212 -175.167 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 31.6 m -103.88 -8.93 9.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.164 172.554 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 83.9 mtt180 -105.28 113.3 26.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.168 172.281 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.433 ' HB3' HG22 ' A' ' 93' ' ' VAL . 58.5 tp -113.5 110.23 19.93 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.237 -179.222 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 93.3 mt -98.52 122.71 50.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.168 177.295 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 65.1 mt -123.21 115.79 46.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.235 178.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 51.4 tt0 -105.23 119.64 39.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.148 -178.1 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 38.9 p90 -151.1 167.32 28.08 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.205 -169.864 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -104.36 -170.75 24.86 Favored Glycine 0 CA--C 1.524 0.629 0 N-CA-C 111.223 -0.751 . . . . 0.0 111.223 -176.1 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -72.87 -30.05 63.67 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.747 0.308 . . . . 0.0 111.198 -175.613 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 99.2 m-20 -66.75 -27.7 67.81 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.228 179.716 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 93.7 m-85 -98.55 -22.01 16.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.277 -176.235 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 75.4 p -62.8 -18.98 63.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.208 174.737 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 96.0 p -64.94 -16.04 62.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.248 177.177 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 74.1 mm-40 -103.0 -45.08 5.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.155 179.021 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 59.9 m-85 -61.38 -28.6 69.36 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.238 -170.337 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 -70.02 -24.18 63.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.215 -178.085 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 99.6 m-70 -111.88 -13.94 13.59 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.205 -172.782 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 57.3 mt -65.2 -35.21 80.34 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.189 177.547 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 33.5 m -77.0 -25.23 15.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.2 176.677 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 89.4 mt-30 -72.94 -24.9 60.87 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.108 175.715 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -90.62 8.44 34.2 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.218 176.777 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 90.6 mmt-85 -129.38 -1.17 5.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.206 177.133 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 75.01 26.24 67.15 Favored Glycine 0 CA--C 1.523 0.535 0 N-CA-C 111.191 -0.764 . . . . 0.0 111.191 174.745 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -98.33 -175.71 32.93 Favored Glycine 0 CA--C 1.523 0.589 0 N-CA-C 111.224 -0.75 . . . . 0.0 111.224 -179.178 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 93.7 mm-40 -122.04 174.19 7.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.799 0.333 . . . . 0.0 111.219 -179.837 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 41.1 ptt85 -166.34 153.47 9.56 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.242 175.491 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 89.1 tt0 -162.08 140.01 8.81 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.208 -178.895 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 37.5 t -57.17 116.92 3.55 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.204 176.915 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 63.3 tp60 -131.19 116.03 17.14 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.171 -176.434 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 88.6 tttt -64.94 125.1 23.83 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.163 172.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 51.1 mm -91.18 128.3 47.95 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.193 -179.386 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 77.3 Cg_exo -53.61 143.55 56.44 Favored 'Trans proline' 0 N--CA 1.457 -0.632 0 C-N-CA 121.704 1.603 . . . . 0.0 111.231 179.487 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 91.3 mt -57.19 -35.84 49.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.243 -177.013 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 98.9 m-20 -52.46 -39.39 61.06 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.221 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 64.8 mt-30 -86.45 -42.57 13.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.196 178.425 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 85.6 t80 -156.37 118.12 3.91 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.273 179.55 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -65.4 144.71 47.84 Favored Glycine 0 CA--C 1.523 0.553 0 N-CA-C 111.226 -0.749 . . . . 0.0 111.226 179.635 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 34.5 t 44.92 62.06 2.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.83 0.348 . . . . 0.0 111.284 -174.626 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -103.2 34.69 5.56 Favored Glycine 0 CA--C 1.523 0.562 0 N-CA-C 111.196 -0.762 . . . . 0.0 111.196 -179.296 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 57.2 p-10 -90.79 8.11 36.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.745 0.307 . . . . 0.0 111.185 -177.818 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 77.5 p -114.96 5.42 15.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.226 173.553 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -81.05 166.0 21.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.186 -177.083 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 32.6 ttm180 -140.06 130.81 25.85 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.201 177.182 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 62.4 tt0 -82.17 132.04 35.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.219 178.746 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' TYR . . . . . 0.519 ' HB2' ' HB ' ' A' ' 93' ' ' VAL . 88.4 m-85 -115.5 139.99 49.56 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.195 174.325 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 61.6 t -109.99 99.6 9.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.244 -172.531 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.438 HD13 ' HA ' ' A' ' 86' ' ' LEU . 2.5 mm? -117.07 159.25 22.84 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.18 -176.787 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 94.0 mmm 60.25 30.77 20.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.21 -179.25 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 96.4 m-20 65.05 31.22 11.29 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.234 -179.867 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 95.04 -3.35 66.89 Favored Glycine 0 CA--C 1.523 0.575 0 N-CA-C 111.21 -0.756 . . . . 0.0 111.21 176.182 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -75.34 -24.99 57.42 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.876 0.369 . . . . 0.0 111.222 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 52.4 tp -112.48 123.97 51.46 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.23 177.146 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -95.89 100.31 12.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.204 179.884 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . 0.519 ' HB ' ' HB2' ' A' ' 84' ' ' TYR . 60.8 t -104.9 113.42 41.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.242 -175.696 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 44.4 mm -110.0 124.18 66.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.236 -177.277 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -100.01 140.06 14.74 Favored Glycine 0 CA--C 1.523 0.557 0 N-CA-C 111.239 -0.744 . . . . 0.0 111.239 178.133 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 96.4 m-85 -123.46 149.87 44.56 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.853 0.359 . . . . 0.0 111.231 179.63 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 68.1 t0 -72.97 116.04 13.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.179 172.16 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 73.6 t80 -47.92 121.43 4.17 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.161 -171.503 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 52.4 m -142.01 120.5 12.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.173 178.101 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 94.7 m -65.58 -36.57 84.14 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.234 -173.726 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -74.87 -15.91 60.7 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.145 -175.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 66.6 mtt -106.06 7.5 31.86 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.16 -174.887 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 77.7 mt-30 -64.63 -44.49 90.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.154 179.495 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 66.8 m -64.72 -29.75 70.74 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.23 -176.73 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 96.9 mt -59.98 -48.43 87.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.169 175.86 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 96.7 mt -70.24 -41.56 78.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.183 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 89.1 mtm-85 -59.46 -43.61 93.16 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.16 -178.591 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 95.9 m-20 -63.19 -41.47 99.2 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.185 178.523 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 109' ' ' TYR . . . . . . . . . . . . . 72.8 t80 -71.29 -33.74 70.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.166 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 110' ' ' SER . . . . . 0.403 ' HA ' ' HB3' ' A' ' 7' ' ' ALA . 78.9 p -73.68 172.45 11.41 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.158 -171.592 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 54.9 m-20 -113.98 -34.6 5.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.198 173.862 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 56.5 tp -132.68 119.96 21.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.148 179.42 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 88.5 t -100.86 133.29 44.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.306 -176.205 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 114' ' ' ILE . . . . . 0.426 HD13 HD11 ' A' ' 168' ' ' LEU . 64.0 mt -113.46 113.67 44.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.174 178.456 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 47.2 t -100.39 154.22 18.69 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.194 176.58 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 80.4 m80 -125.88 113.38 17.14 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.194 -173.112 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . 50.38 47.63 23.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.213 174.294 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 164.63 -166.55 38.01 Favored Glycine 0 CA--C 1.524 0.633 0 N-CA-C 111.21 -0.756 . . . . 0.0 111.21 179.198 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 40.6 p -115.39 -108.08 0.37 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.745 0.307 . . . . 0.0 111.215 176.643 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 60.64 16.22 44.05 Favored Glycine 0 CA--C 1.523 0.54 0 N-CA-C 111.201 -0.76 . . . . 0.0 111.201 -178.373 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 20.0 m -141.05 -29.82 0.64 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.736 0.303 . . . . 0.0 111.162 -169.082 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 122' ' ' ILE . . . . . . . . . . . . . 41.4 pt -75.26 -16.02 15.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.282 -172.194 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 97.8 mt -66.37 -35.35 80.12 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.22 -174.654 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 70.8 m-20 -96.48 -32.77 12.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.227 178.594 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 33.5 t -60.84 -50.52 73.09 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.148 -179.777 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 89.9 mt -65.46 -44.41 87.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.186 -173.936 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 51.2 ptt85 -69.08 -21.86 64.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.24 -174.289 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 94.5 mt -102.4 6.85 40.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.192 -176.757 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 77.3 m-20 64.53 35.81 9.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.216 177.846 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 89.7 mttt -106.07 141.48 22.82 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.2 -178.178 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 58.5 Cg_endo -68.14 152.78 76.0 Favored 'Trans proline' 0 N--CA 1.458 -0.606 0 C-N-CA 121.695 1.597 . . . . 0.0 111.215 175.497 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 132' ' ' LEU . . . . . 0.446 ' O ' ' HA ' ' A' ' 158' ' ' VAL . 5.2 tt -140.35 129.75 23.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.173 179.578 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 96.6 mt -95.93 141.69 14.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.24 174.782 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 97.7 t -118.94 119.99 62.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.143 174.464 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 135' ' ' CYS . . . . . . . . . . . . . 89.6 m -89.82 134.07 34.39 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.102 174.506 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 66.0 t -105.55 134.93 45.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.142 -175.25 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 47.7 p30 . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.203 -172.825 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.803 0.335 . . . . 0.0 111.196 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 97.2 m-20 -66.07 -32.25 73.6 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.197 177.404 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 151' ' ' LYS . . . . . 0.417 ' HD3' ' HA ' ' A' ' 151' ' ' LYS . 69.0 mmtt -81.1 -30.32 34.67 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.25 179.657 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 152' ' ' PHE . . . . . . . . . . . . . 19.0 m-30 -63.24 -42.33 99.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.247 171.736 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 153' ' ' VAL . . . . . . . . . . . . . 62.5 t -69.5 -40.54 79.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.15 176.329 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 40.8 tt0 -52.9 -43.54 66.27 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.234 176.429 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 155' ' ' LEU . . . . . . . . . . . . . 56.7 tp -65.97 -52.17 51.99 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.19 174.018 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . 96.32 -5.15 65.1 Favored Glycine 0 CA--C 1.523 0.577 0 N-CA-C 111.143 -0.783 . . . . 0.0 111.143 174.53 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 157' ' ' TYR . . . . . . . . . . . . . 42.1 m-85 -112.12 -1.68 15.22 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.876 0.37 . . . . 0.0 111.235 -178.081 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 158' ' ' VAL . . . . . 0.446 ' HA ' ' O ' ' A' ' 132' ' ' LEU . 73.4 t -130.57 140.97 47.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.158 -179.661 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 159' ' ' TRP . . . . . . . . . . . . . 15.9 m-90 -129.36 140.39 51.39 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.256 -179.614 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 160' ' ' SER . . . . . . . . . . . . . 30.2 t -87.95 131.33 34.65 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.18 179.806 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 161' ' ' CYS . . . . . 0.405 ' SG ' ' HA3' ' A' ' 171' ' ' GLY . 91.1 m -115.49 145.09 42.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.225 173.372 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -78.97 156.16 77.19 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.131 175.662 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 163' ' ' PRO . . . . . . . . . . . . . 88.4 Cg_endo -78.91 61.3 8.07 Favored 'Trans proline' 0 N--CA 1.459 -0.559 0 C-N-CA 121.685 1.59 . . . . 0.0 111.223 -179.584 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 164' ' ' THR . . . . . . . . . . . . . 12.8 p -133.29 -179.87 5.78 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.223 179.841 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 165' ' ' GLU . . . . . . . . . . . . . 99.8 mt-10 -81.24 4.93 18.63 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.215 176.912 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 166' ' ' THR . . . . . . . . . . . . . 82.7 p -127.8 -24.57 3.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.173 -174.724 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 167' ' ' GLY . . . . . . . . . . . . . . . -58.68 -45.8 94.25 Favored Glycine 0 CA--C 1.523 0.581 0 N-CA-C 111.175 -0.77 . . . . 0.0 111.175 -174.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 168' ' ' LEU . . . . . 0.426 HD11 HD13 ' A' ' 114' ' ' ILE . 39.4 tp -68.48 -36.66 79.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.772 0.32 . . . . 0.0 111.109 -176.601 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 97.1 mt -59.42 -43.11 89.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.208 179.217 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 170' ' ' ALA . . . . . . . . . . . . . . . -64.93 -37.99 89.49 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.145 176.784 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 171' ' ' GLY . . . . . 0.405 ' HA3' ' SG ' ' A' ' 161' ' ' CYS . . . -64.97 -38.84 95.97 Favored Glycine 0 CA--C 1.523 0.571 0 N-CA-C 111.229 -0.748 . . . . 0.0 111.229 177.603 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 82.5 mt -64.18 -40.56 96.36 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.841 0.353 . . . . 0.0 111.227 178.004 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 173' ' ' ARG . . . . . . . . . . . . . 29.6 ttm180 -65.02 -41.11 95.6 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.179 175.241 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -64.98 -37.92 89.26 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.241 -177.607 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 59.5 p -65.05 -27.17 68.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.216 -177.495 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 176' ' ' GLN . . . . . . . . . . . . . 90.9 mm-40 -98.67 -26.25 14.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.213 -177.04 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 177' ' ' THR . . . . . . . . . . . . . 90.1 m -72.58 -39.96 66.99 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.194 178.42 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 178' ' ' GLU . . . . . . . . . . . . . 71.1 tt0 -85.55 109.16 18.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.188 -175.26 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 179' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -62.65 130.34 44.55 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.19 177.686 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 180' ' ' LEU . . . . . . . . . . . . . 58.4 mt . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.13 -175.635 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 . . . . . 0 C--O 1.232 0.163 0 CA-C-O 120.761 0.315 . . . . 0.0 111.242 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . 0.411 ' HB2' ' HA ' ' A' ' 39' ' ' PHE . 96.3 mttt -87.49 151.44 23.02 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.216 173.221 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -107.86 130.73 54.98 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.167 -175.099 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 21.5 tp -113.64 109.58 18.83 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.243 176.341 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 60.5 t80 -94.34 117.25 29.83 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.216 -176.732 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 59.5 t -115.04 118.36 58.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.186 -179.771 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 52.1 m -99.14 115.03 28.11 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.215 175.784 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 74.0 m -87.45 129.56 35.01 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.227 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -113.8 -167.05 16.22 Favored Glycine 0 CA--C 1.523 0.591 0 N-CA-C 111.218 -0.753 . . . . 0.0 111.218 -177.495 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -78.83 -22.45 46.14 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.779 0.323 . . . . 0.0 111.174 179.036 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 8.9 t -85.05 175.01 9.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.184 179.019 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 64.9 t 52.64 114.97 0.01 OUTLIER Pre-proline 0 C--N 1.329 -0.287 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.257 -167.525 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.407 ' O ' ' N ' ' A' ' 21' ' ' LEU . 76.9 Cg_exo -53.15 143.31 52.05 Favored 'Trans proline' 0 N--CA 1.459 -0.535 0 C-N-CA 121.697 1.598 . . . . 0.0 111.148 -177.672 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . 0.535 ' N ' ' HD2' ' A' ' 19' ' ' PRO . 10.5 m-30 -55.05 -48.52 95.86 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.228 -171.779 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . 0.535 ' HD2' ' N ' ' A' ' 18' ' ' PHE . 72.9 Cg_endo -74.34 -13.55 23.0 Favored 'Trans proline' 0 N--CA 1.459 -0.501 0 C-N-CA 121.685 1.59 . . . . 0.0 111.118 -177.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -102.87 0.3 32.31 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.239 172.142 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.463 ' C ' HD23 ' A' ' 21' ' ' LEU . 7.1 tt -95.16 -50.01 5.25 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.152 178.924 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 76.4 t -80.25 -34.33 14.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.194 -174.077 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 93.3 p -65.06 -19.76 66.15 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.279 -175.242 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 99.4 m -65.12 -42.65 93.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.208 179.35 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 33.0 m -95.67 -15.06 7.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.239 -174.511 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.467 HD23 ' HB2' ' A' ' 57' ' ' LEU . 2.6 mp -100.04 16.85 22.65 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.192 173.296 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 83.9 p -79.53 165.0 23.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.137 171.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 46.4 m-20 -80.38 -34.25 36.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.184 177.03 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -72.27 -38.6 68.78 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.144 -177.432 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 56.4 t80 -65.02 -51.27 62.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.239 176.447 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 95.5 m -68.13 -29.81 68.8 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.17 -176.42 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 65.2 tt0 -52.57 -58.15 7.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.18 178.558 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 92.8 mt-10 -75.41 -33.11 60.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.18 -179.541 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 31.9 tp -52.69 -49.74 64.71 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.173 178.941 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 43.6 mm -65.94 -39.16 83.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.121 178.83 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 87.3 mt-30 -68.2 -20.87 64.88 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.181 178.662 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 19.4 m-30 -87.63 -8.42 56.23 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.163 177.699 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 98.28 8.85 54.61 Favored Glycine 0 CA--C 1.523 0.582 0 N-CA-C 111.17 -0.772 . . . . 0.0 111.17 172.743 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.411 ' HA ' ' HB2' ' A' ' 6' ' ' LYS . 74.4 m-85 -90.03 123.7 34.14 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.829 0.347 . . . . 0.0 111.172 -177.404 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 78.7 t -125.25 -36.24 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.213 -177.745 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 98.4 mtt180 -90.05 88.35 7.25 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.206 -173.389 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.4 HD23 HG22 ' A' ' 93' ' ' VAL . 54.5 tp -82.31 109.95 17.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.19 178.194 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 73.8 mt -109.15 111.29 35.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.188 -171.502 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 43.8 mm -104.42 114.98 45.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.154 -169.366 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 51.1 tt0 -96.94 126.08 41.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.204 172.017 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . 0.457 ' HB2' ' CD1' ' A' ' 50' ' ' TYR . 53.5 p90 -151.17 169.9 20.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.206 178.889 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -94.09 -59.24 1.18 Allowed Glycine 0 CA--C 1.524 0.642 0 N-CA-C 111.248 -0.741 . . . . 0.0 111.248 177.622 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 51.4 ptt85 -170.65 151.7 3.62 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.834 0.35 . . . . 0.0 111.14 179.451 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 52.2 t30 64.95 38.72 6.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.293 178.725 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . 0.457 ' CD1' ' HB2' ' A' ' 46' ' ' PHE . 93.3 m-85 -120.31 -43.63 2.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.202 171.469 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 91.0 p -66.63 -15.12 63.24 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.198 174.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 94.4 p -67.98 -29.84 68.96 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.283 171.321 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 77.3 mm-40 -79.94 -33.22 39.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.197 177.664 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 44.9 m-85 -61.85 -43.28 99.16 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.191 172.6 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 39.7 tt0 -57.0 -48.47 78.38 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.146 176.625 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 82.0 t60 -57.13 -50.38 72.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.224 -178.475 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.467 ' HB2' HD23 ' A' ' 26' ' ' LEU . 93.7 mt -74.15 -39.11 63.49 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.127 -171.037 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 66.8 t -69.91 -39.85 78.08 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.232 179.679 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 73.1 tp60 -65.04 -36.99 86.12 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.19 172.834 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -63.52 -38.0 89.44 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.208 175.246 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 83.4 mtt-85 -71.01 -30.1 66.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.144 175.36 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 88.46 31.08 14.21 Favored Glycine 0 CA--C 1.523 0.54 0 N-CA-C 111.189 -0.764 . . . . 0.0 111.189 178.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -89.56 -165.07 40.65 Favored Glycine 0 CA--C 1.523 0.545 0 N-CA-C 111.174 -0.77 . . . . 0.0 111.174 179.466 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 97.0 mm-40 -103.89 157.61 16.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.791 0.329 . . . . 0.0 111.207 177.642 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 52.0 ptt85 -166.34 154.96 10.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.125 -173.87 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -154.45 131.05 10.64 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.198 176.159 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 33.3 t -79.51 139.89 37.43 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.149 176.904 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 88.9 mm-40 -117.94 147.88 42.72 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.228 -176.429 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 95.8 mttt -124.34 90.01 3.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.228 168.813 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 79.5 mt -104.57 132.65 20.73 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.153 -163.713 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 74.9 Cg_exo -54.95 130.02 38.45 Favored 'Trans proline' 0 N--CA 1.458 -0.605 0 C-N-CA 121.701 1.601 . . . . 0.0 111.169 179.556 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 97.0 mt -74.12 -39.47 50.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.19 176.067 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 98.3 m-20 -67.04 -26.37 66.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.164 -176.156 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 98.2 mm-40 -98.2 -44.86 6.42 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.166 -174.401 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 90.7 m-85 -115.96 -41.72 3.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.175 -173.894 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 113.05 -13.7 23.99 Favored Glycine 0 CA--C 1.524 0.605 0 N-CA-C 111.195 -0.762 . . . . 0.0 111.195 173.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 86.8 m -75.87 161.44 28.98 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.784 0.326 . . . . 0.0 111.198 177.223 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -100.5 -155.25 27.5 Favored Glycine 0 CA--C 1.522 0.53 0 N-CA-C 111.232 -0.747 . . . . 0.0 111.232 -175.762 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 57.7 p-10 -104.71 5.02 33.1 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.852 0.358 . . . . 0.0 111.207 176.727 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 72.1 p -98.27 -5.64 32.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.153 172.294 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -55.81 133.93 51.43 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.237 175.85 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -139.92 144.98 37.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.252 177.944 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 84.9 mt-30 -113.28 142.82 45.38 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.222 179.391 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' TYR . . . . . 0.415 ' HB2' ' HB ' ' A' ' 93' ' ' VAL . 53.5 m-85 -137.42 150.08 47.37 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.158 -176.007 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 74.9 t -118.71 115.11 47.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.149 -179.231 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 93.3 mt -126.92 167.62 15.61 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.204 -175.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 98.2 mmm 59.96 30.48 19.98 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.265 178.323 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 96.4 m-20 64.95 33.88 9.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.189 178.142 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 95.9 -3.92 65.25 Favored Glycine 0 CA--C 1.523 0.565 0 N-CA-C 111.245 -0.742 . . . . 0.0 111.245 176.241 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -79.3 -23.76 43.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.814 0.34 . . . . 0.0 111.229 -179.055 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 68.7 tp -115.0 120.05 38.57 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.218 177.064 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 94.1 mttt -106.64 115.1 29.62 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.267 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . 0.415 ' HB ' ' HB2' ' A' ' 84' ' ' TYR . 50.5 t -109.38 120.8 61.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.162 -172.87 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 80.9 mt -128.39 118.69 48.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.177 176.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -101.71 158.9 18.48 Favored Glycine 0 CA--C 1.523 0.59 0 N-CA-C 111.178 -0.769 . . . . 0.0 111.178 176.14 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 48.9 p90 -154.78 158.34 39.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.818 0.342 . . . . 0.0 111.194 176.619 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 67.7 t0 -82.92 121.24 26.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.218 172.097 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 26.8 p90 -50.09 146.76 4.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.131 -174.083 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 59.5 p -155.03 -177.48 6.57 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.227 179.618 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 75.7 p -95.34 4.83 53.01 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.185 172.856 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 76.0 mmtt -105.93 -24.79 12.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.255 -178.882 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 91.5 mmm -80.07 -8.94 59.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.193 178.232 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 99.1 mm-40 -57.62 -36.82 72.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.192 -173.867 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 45.5 t -67.96 -50.04 58.18 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.213 178.649 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 94.6 mt -59.89 -39.72 80.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.23 -179.866 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 94.9 mt -60.3 -47.38 92.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.193 178.455 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -74.58 -30.03 61.55 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.288 -178.142 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -74.0 -35.04 64.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.179 -178.866 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 109' ' ' TYR . . . . . . . . . . . . . 89.2 m-85 -125.08 80.09 1.85 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.148 -176.278 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 41.2 t -155.31 118.25 4.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.207 176.744 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 60.5 m-20 -110.86 -33.56 6.49 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.223 177.342 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 68.3 tp -128.92 132.02 47.62 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.171 171.487 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 96.0 t -113.62 119.5 61.08 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.189 -176.0 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 114' ' ' ILE . . . . . 0.403 HG12 ' HB ' ' A' ' 133' ' ' ILE . 97.2 mt -107.58 130.05 60.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.147 169.729 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 43.0 t -123.4 133.91 54.03 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.217 179.908 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 99.6 m-70 -100.96 81.95 2.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.161 169.771 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . 57.38 50.63 11.08 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.237 -176.243 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -95.5 -178.9 36.78 Favored Glycine 0 CA--C 1.524 0.644 0 N-CA-C 111.224 -0.75 . . . . 0.0 111.224 172.263 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 45.7 m -124.96 -59.44 1.42 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.864 0.364 . . . . 0.0 111.19 176.323 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -64.89 -32.64 84.88 Favored Glycine 0 CA--C 1.524 0.601 0 N-CA-C 111.22 -0.752 . . . . 0.0 111.22 -176.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 75.0 m -66.52 -41.26 89.05 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.903 0.382 . . . . 0.0 111.255 177.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 122' ' ' ILE . . . . . . . . . . . . . 63.8 mt -61.05 -44.97 99.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.163 175.231 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 92.3 mt -70.4 -49.3 50.41 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.224 -174.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 87.3 m-20 -71.95 -31.51 66.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.146 -172.466 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 47.2 t -53.49 -45.3 69.61 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.233 173.321 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 96.2 mt -74.72 -32.14 62.05 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.215 179.794 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 51.4 mtp180 -63.26 -31.33 72.45 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.135 175.459 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 95.7 mt -88.35 -5.0 58.57 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.22 178.808 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 56.5 t30 63.28 41.6 7.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.157 -176.218 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 37.9 mmtm -114.39 146.54 36.07 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.233 179.756 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 61.4 Cg_exo -55.02 141.39 79.17 Favored 'Trans proline' 0 N--CA 1.458 -0.607 0 C-N-CA 121.757 1.638 . . . . 0.0 111.174 179.688 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 63.3 tp -121.32 115.19 22.49 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.15 -174.821 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 133' ' ' ILE . . . . . 0.403 ' HB ' HG12 ' A' ' 114' ' ' ILE . 70.5 mt -107.1 126.83 63.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.2 173.405 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 77.6 t -120.44 121.91 66.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.215 179.552 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 135' ' ' CYS . . . . . . . . . . . . . 53.9 t -121.76 113.97 20.44 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.14 -178.22 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 28.3 m -135.05 158.39 41.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.141 -169.583 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 58.1 t-20 . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.257 171.853 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.075 0 CA-C-O 120.753 0.311 . . . . 0.0 111.162 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 98.9 m-20 -63.06 -49.11 75.83 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.178 179.822 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 151' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -71.99 -31.75 66.56 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.212 -178.758 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 152' ' ' PHE . . . . . . . . . . . . . 1.3 t80 -61.68 -50.34 72.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.232 -178.55 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 153' ' ' VAL . . . . . . . . . . . . . 8.3 p -75.67 -25.07 17.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.173 178.898 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -63.41 -39.41 94.41 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.258 175.659 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 155' ' ' LEU . . . . . . . . . . . . . 97.6 mt -74.07 -19.57 60.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.179 179.788 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . 83.76 34.07 19.89 Favored Glycine 0 CA--C 1.523 0.531 0 N-CA-C 111.237 -0.745 . . . . 0.0 111.237 173.48 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 157' ' ' TYR . . . . . . . . . . . . . 34.3 m-85 -113.05 18.66 17.86 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.859 0.361 . . . . 0.0 111.267 179.419 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 158' ' ' VAL . . . . . . . . . . . . . 11.6 p -162.02 150.52 4.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.199 -178.146 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 159' ' ' TRP . . . . . . . . . . . . . 19.2 m-90 -96.53 111.85 23.81 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.202 168.93 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 160' ' ' SER . . . . . . . . . . . . . 32.1 t -90.84 130.45 36.79 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.17 -177.421 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 161' ' ' CYS . . . . . . . . . . . . . 89.3 m -118.8 151.4 38.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.147 -178.664 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -72.75 154.95 91.16 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.249 175.79 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 163' ' ' PRO . . . . . . . . . . . . . 88.1 Cg_endo -76.33 64.64 7.2 Favored 'Trans proline' 0 N--CA 1.458 -0.588 0 C-N-CA 121.717 1.611 . . . . 0.0 111.186 179.296 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 164' ' ' THR . . . . . . . . . . . . . 12.5 t -159.97 -179.81 8.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.231 -179.307 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 165' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -64.98 -49.96 68.21 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.161 -171.928 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 166' ' ' THR . . . . . . . . . . . . . 81.2 p -80.89 -17.14 51.6 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.118 -172.143 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 167' ' ' GLY . . . . . . . . . . . . . . . -64.93 -49.58 62.23 Favored Glycine 0 CA--C 1.523 0.576 0 N-CA-C 111.216 -0.754 . . . . 0.0 111.216 179.512 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 168' ' ' LEU . . . . . . . . . . . . . 31.4 tp -70.33 -34.4 72.63 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.87 0.367 . . . . 0.0 111.2 179.417 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 96.8 mt -61.25 -42.14 92.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.186 177.647 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 170' ' ' ALA . . . . . . . . . . . . . . . -60.79 -38.87 86.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.211 175.836 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 171' ' ' GLY . . . . . . . . . . . . . . . -64.77 -41.38 97.62 Favored Glycine 0 CA--C 1.523 0.57 0 N-CA-C 111.244 -0.742 . . . . 0.0 111.244 177.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 59.1 tp -54.94 -48.97 72.45 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.882 0.372 . . . . 0.0 111.229 177.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 173' ' ' ARG . . . . . . . . . . . . . 39.9 ttm180 -65.51 -40.85 93.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.203 176.686 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -65.01 -33.18 75.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.205 -173.643 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 53.2 p -64.96 -21.11 66.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.266 -179.723 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 176' ' ' GLN . . . . . . . . . . . . . 93.7 mm-40 -102.82 -33.45 9.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.206 -177.671 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 177' ' ' THR . . . . . . . . . . . . . 99.0 m -74.56 -43.99 53.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.192 -178.333 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 178' ' ' GLU . . . . . . . . . . . . . 73.4 mm-40 -117.04 175.87 5.39 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.169 -173.289 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 179' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -129.79 166.49 19.8 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.16 177.845 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 180' ' ' LEU . . . . . . . . . . . . . 89.7 mt . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.213 -179.925 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 7.4 tp10 . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.828 0.347 . . . . 0.0 111.206 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 46.4 mtmt -56.31 112.04 1.13 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.179 -179.751 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -138.4 149.44 45.53 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.227 179.121 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.401 HD21 HD23 ' A' ' 112' ' ' LEU . 30.9 mt -90.65 141.15 29.08 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.195 177.108 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 75.6 m-85 -129.98 118.02 20.96 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.175 167.124 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.422 HG22 ' HB ' ' A' ' 114' ' ' ILE . 89.7 t -103.11 134.19 44.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.216 -176.88 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 92.7 m -116.58 114.47 24.16 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.207 173.604 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 52.7 t -93.18 124.71 37.35 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.26 172.21 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -75.63 171.61 54.22 Favored Glycine 0 CA--C 1.522 0.525 0 N-CA-C 111.23 -0.748 . . . . 0.0 111.23 177.536 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -68.95 -34.92 76.14 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.784 0.326 . . . . 0.0 111.194 -177.052 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 76.2 p -94.82 -9.32 34.78 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.155 -179.102 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 96.2 t -72.54 128.78 88.05 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.247 -179.587 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 48.1 Cg_endo -66.57 106.36 1.06 Allowed 'Trans proline' 0 N--CA 1.457 -0.661 0 C-N-CA 121.692 1.595 . . . . 0.0 111.218 178.537 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . 0.561 ' N ' ' CD ' ' A' ' 19' ' ' PRO . 80.3 t80 -72.01 -41.62 8.98 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.225 -179.436 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . 0.561 ' CD ' ' N ' ' A' ' 18' ' ' PHE . 80.8 Cg_exo -54.08 -31.76 66.21 Favored 'Trans proline' 0 N--CA 1.458 -0.586 0 C-N-CA 121.69 1.594 . . . . 0.0 111.21 -178.802 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 96.7 mttt -88.77 -37.96 15.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.135 177.317 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 68.9 tp -64.07 -58.37 6.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.233 -176.423 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 9.9 p -62.65 -26.07 39.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.154 -173.57 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 58.6 m -64.76 -50.0 68.54 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.199 175.933 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 97.0 m -64.97 -37.0 86.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.237 177.659 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 56.6 t -64.18 -39.17 84.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.204 179.209 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 82.7 mt -107.33 31.84 5.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.219 -177.577 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 55.7 m -70.58 148.87 47.68 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.242 173.309 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 90.4 m-20 -65.27 -48.36 73.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.203 -176.173 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -68.51 -34.98 76.84 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.177 179.684 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 79.3 t80 -58.26 -52.96 63.39 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.224 175.451 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 85.0 m -70.1 -28.0 65.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.234 -176.733 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 65.8 tt0 -60.95 -60.05 4.41 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.186 178.478 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -67.5 -33.24 74.68 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.182 177.793 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.427 ' HG ' ' HB2' ' A' ' 39' ' ' PHE . 45.0 tp -54.98 -49.92 70.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.155 178.615 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 87.0 mt -61.31 -37.62 78.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.135 178.433 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 88.8 mt-30 -67.47 -20.88 65.53 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.268 -0.423 . . . . 0.0 111.2 177.331 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 22.4 m-30 -88.78 -4.56 58.47 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.162 179.216 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 98.9 10.9 48.17 Favored Glycine 0 CA--C 1.523 0.59 0 N-CA-C 111.153 -0.779 . . . . 0.0 111.153 174.6 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.427 ' HB2' ' HG ' ' A' ' 34' ' ' LEU . 75.8 m-85 -104.09 105.59 15.81 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.768 0.318 . . . . 0.0 111.183 177.653 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 34.3 m -119.5 -0.91 8.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.211 -177.692 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 70.9 mtt85 -125.33 139.97 53.22 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.162 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 23.6 tp -143.82 135.91 26.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.163 -176.103 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.502 HG12 ' HB ' ' A' ' 94' ' ' ILE . 46.4 mt -122.07 129.39 75.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.197 166.857 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 81.0 mt -109.4 122.44 64.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.164 -177.253 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 61.3 tt0 -92.45 119.95 32.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.275 178.664 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 48.3 p90 -149.98 164.96 34.11 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.154 -175.005 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -94.96 -166.72 35.88 Favored Glycine 0 CA--C 1.524 0.622 0 N-CA-C 111.216 -0.754 . . . . 0.0 111.216 -175.028 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -76.61 -38.34 54.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.763 0.316 . . . . 0.0 111.217 -177.348 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 99.3 m-20 -74.2 -36.67 64.0 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.167 176.894 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 15.9 m-30 -85.71 60.32 6.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.177 -178.384 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 88.4 p -134.89 -7.54 2.39 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.218 -177.152 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 69.9 m -65.46 -58.95 4.58 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.196 -176.515 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 66.9 mm-40 -75.45 -16.66 60.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.216 -176.234 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 70.4 t80 -55.88 -52.39 64.24 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.183 179.195 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 56.7 mt-10 -87.01 -23.22 25.08 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.245 -175.907 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 62.5 m170 -60.2 -43.71 95.7 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.232 179.701 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 94.2 mt -65.49 -29.65 70.33 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.23 -178.882 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 75.3 t -73.25 -37.67 52.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.209 177.563 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 88.2 mt-30 -66.16 -31.5 72.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.109 176.882 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -64.23 -31.64 72.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.213 176.832 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 74.5 mmt-85 -96.66 -17.13 20.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.188 -175.902 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 87.21 33.89 11.35 Favored Glycine 0 CA--C 1.523 0.587 0 N-CA-C 111.23 -0.748 . . . . 0.0 111.23 176.554 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -75.87 175.77 51.73 Favored Glycine 0 CA--C 1.523 0.565 0 N-CA-C 111.267 -0.733 . . . . 0.0 111.267 177.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . 0.479 ' HG3' ' HG3' ' A' ' 66' ' ' GLU . 62.4 tp60 -130.1 113.78 14.94 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.873 0.368 . . . . 0.0 111.114 -176.906 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 53.0 ttp180 -61.05 113.15 2.39 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.115 172.196 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . 0.479 ' HG3' ' HG3' ' A' ' 64' ' ' GLN . 93.8 mt-10 -127.43 118.68 24.53 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.218 176.554 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 39.6 t -73.01 131.12 41.74 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.154 175.363 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 89.8 mm-40 -129.64 137.86 50.89 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.228 -174.78 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 96.9 mttt -95.15 75.52 3.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.174 173.594 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 87.6 mt -87.64 135.91 33.53 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.198 -169.677 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 71.1 Cg_endo -72.42 142.07 36.27 Favored 'Trans proline' 0 N--CA 1.458 -0.58 0 C-N-CA 121.69 1.593 . . . . 0.0 111.23 177.536 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 96.6 mt -82.33 -45.4 19.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.199 177.373 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 99.8 m-20 -63.8 -36.59 84.41 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.157 -175.061 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 99.5 mm-40 -88.48 -66.57 0.9 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.217 -178.249 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 63.0 t80 -77.25 -54.69 6.18 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.21 -174.609 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 123.7 17.61 3.12 Favored Glycine 0 CA--C 1.524 0.627 0 N-CA-C 111.205 -0.758 . . . . 0.0 111.205 176.343 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' CYS . . . . . 0.484 ' HA ' ' SD ' ' A' ' 102' ' ' MET . 42.0 t -136.79 152.14 49.96 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.789 0.328 . . . . 0.0 111.228 -178.328 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -74.0 174.67 48.88 Favored Glycine 0 CA--C 1.523 0.571 0 N-CA-C 111.236 -0.745 . . . . 0.0 111.236 -176.006 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 57.6 p-10 -94.44 15.91 16.57 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.78 0.324 . . . . 0.0 111.17 -173.619 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 40.1 p -113.56 38.33 2.95 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.225 174.472 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -85.85 137.96 32.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.237 -169.261 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 84.2 mtt85 -109.99 99.66 8.73 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.192 169.239 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 62.7 tt0 -85.43 135.21 33.96 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.257 -175.118 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 84.8 m-85 -124.19 145.42 49.34 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.177 178.166 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 88.8 t -102.83 111.72 33.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.249 -171.737 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 93.9 mt -123.8 161.89 24.33 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.149 177.407 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 92.1 mmm 59.93 30.51 20.02 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.235 178.217 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 96.4 m-20 65.09 34.33 8.81 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.215 178.562 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 95.02 -2.92 66.54 Favored Glycine 0 CA--C 1.523 0.589 0 N-CA-C 111.209 -0.756 . . . . 0.0 111.209 175.424 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -82.5 -20.26 37.12 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.726 0.298 . . . . 0.0 111.219 -178.646 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 61.1 tp -120.4 123.54 43.31 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.208 176.083 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -110.38 105.65 14.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.16 -178.405 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 74.0 t -108.41 126.29 65.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.194 -174.73 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . 0.502 ' HB ' HG12 ' A' ' 43' ' ' ILE . 98.7 mt -113.48 131.98 63.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.222 178.686 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -76.21 127.31 8.73 Favored Glycine 0 CA--C 1.523 0.565 0 N-CA-C 111.22 -0.752 . . . . 0.0 111.22 175.18 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 54.5 t80 -64.74 120.78 13.09 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.861 0.362 . . . . 0.0 111.227 -178.732 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 36.7 t0 -145.06 43.58 1.33 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.242 171.043 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 43.3 m-85 -120.01 -179.89 4.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.213 -164.132 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 65.1 p -94.61 -170.05 2.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.146 -177.401 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 16.6 m -62.45 -22.18 66.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.251 -179.439 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -56.88 -32.03 65.44 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.25 177.906 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 102' ' ' MET . . . . . 0.484 ' SD ' ' HA ' ' A' ' 77' ' ' CYS . 92.5 mmm -88.99 -27.13 21.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.138 177.013 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 92.3 mt-30 -63.59 -33.35 75.41 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.165 176.31 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 41.1 t -65.87 -43.06 89.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.229 170.256 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 105' ' ' ILE . . . . . 0.457 HD12 ' SD ' ' A' ' 102' ' ' MET . 64.0 mt -65.26 -35.95 76.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.169 -177.926 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 71.6 mt -55.44 -31.69 28.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.213 178.389 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 80.0 mtm180 -109.86 -33.07 6.84 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.137 -170.361 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 67.3 m-20 -102.19 -50.55 3.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.17 -169.635 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 109' ' ' TYR . . . . . 0.401 ' HB2' HG23 ' A' ' 105' ' ' ILE . 93.2 m-85 -95.49 -5.14 43.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.13 -172.674 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 87.5 p -66.05 164.84 14.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.258 170.614 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 34.3 t70 -107.74 -38.55 5.83 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.181 172.713 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . 0.401 HD23 HD21 ' A' ' 8' ' ' LEU . 60.5 tp -138.01 116.01 11.64 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.241 179.878 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 85.2 t -94.2 136.63 25.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.227 -176.645 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 114' ' ' ILE . . . . . 0.422 ' HB ' HG22 ' A' ' 10' ' ' VAL . 90.0 mt -123.19 131.56 73.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.194 176.396 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 22.7 t -162.55 162.44 27.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.198 176.013 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 116' ' ' HIS . . . . . 0.434 ' HA ' ' HB3' ' A' ' 135' ' ' CYS . 63.1 t-80 -85.61 146.03 27.06 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.217 176.318 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . 0.443 ' HA ' HD13 ' A' ' 122' ' ' ILE . . . -54.29 132.86 44.56 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.193 177.087 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 107.18 15.27 16.44 Favored Glycine 0 CA--C 1.523 0.591 0 N-CA-C 111.198 -0.761 . . . . 0.0 111.198 172.483 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 48.2 p -106.59 172.55 6.75 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.757 0.313 . . . . 0.0 111.217 174.738 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -85.7 -30.81 22.96 Favored Glycine 0 CA--C 1.523 0.575 0 N-CA-C 111.251 -0.74 . . . . 0.0 111.251 174.096 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 42.7 t -64.74 -38.97 92.81 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.803 0.335 . . . . 0.0 111.14 178.65 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 122' ' ' ILE . . . . . 0.493 HG13 HD11 ' A' ' 132' ' ' LEU . 13.7 tt -69.78 -19.98 23.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.205 -178.805 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 90.7 mt -93.0 -24.75 18.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.161 -179.782 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 87.2 m-20 -64.38 -37.83 88.88 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.151 175.926 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 74.6 m -62.3 -32.59 73.35 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.27 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 81.2 mt -64.3 -49.77 70.49 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.218 178.521 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 46.1 ptt85 -75.1 -20.0 59.67 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.196 -176.554 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 95.9 mt -93.61 -9.31 38.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.199 179.199 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 91.9 m-20 63.46 38.47 9.89 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.253 -179.48 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 12.9 mmmm -101.01 140.78 21.58 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.215 -179.373 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 71.3 Cg_exo -49.83 131.41 29.37 Favored 'Trans proline' 0 N--CA 1.459 -0.535 0 C-N-CA 121.67 1.58 . . . . 0.0 111.157 176.459 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 132' ' ' LEU . . . . . 0.493 HD11 HG13 ' A' ' 122' ' ' ILE . 58.8 tp -140.33 126.99 20.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.188 -168.02 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 89.6 mt -99.29 116.82 43.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.19 167.682 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 93.6 t -92.17 99.05 9.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.245 -177.615 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 135' ' ' CYS . . . . . 0.434 ' HB3' ' HA ' ' A' ' 116' ' ' HIS . 51.8 t -77.92 138.2 38.75 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.198 -178.514 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 33.3 m -124.23 154.98 31.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.193 178.692 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 46.4 p30 . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.26 178.595 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.84 0.352 . . . . 0.0 111.184 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 94.4 m-20 -70.49 -14.98 62.75 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.151 179.467 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 151' ' ' LYS . . . . . . . . . . . . . 75.4 mmtt -102.82 -34.03 9.14 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.167 176.07 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 152' ' ' PHE . . . . . . . . . . . . . 16.0 m-30 -74.49 -28.18 60.89 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.141 179.694 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 153' ' ' VAL . . . . . . . . . . . . . 9.9 p -58.45 -24.74 25.85 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.189 178.209 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -81.29 -27.82 34.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.182 178.048 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 155' ' ' LEU . . . . . . . . . . . . . 96.3 mt -68.7 -38.99 80.69 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.144 -176.45 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . 95.03 -45.26 2.11 Favored Glycine 0 CA--C 1.524 0.611 0 N-CA-C 111.147 -0.781 . . . . 0.0 111.147 171.165 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 157' ' ' TYR . . . . . . . . . . . . . 51.8 p90 -108.61 -3.87 17.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.816 0.341 . . . . 0.0 111.178 -177.448 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 158' ' ' VAL . . . . . . . . . . . . . 60.5 t -108.77 125.46 65.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.183 173.771 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 159' ' ' TRP . . . . . . . . . . . . . 89.7 m95 -137.79 142.42 40.86 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.246 -178.867 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 160' ' ' SER . . . . . . . . . . . . . 13.3 t -97.7 149.64 22.06 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.152 -171.495 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 161' ' ' CYS . . . . . 0.494 ' SG ' ' HA ' ' A' ' 168' ' ' LEU . 71.6 m -87.75 162.82 16.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.175 172.149 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -91.49 154.8 44.36 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.187 173.026 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 163' ' ' PRO . . . . . . . . . . . . . 97.2 Cg_endo -74.98 67.31 5.94 Favored 'Trans proline' 0 N--CA 1.459 -0.551 0 C-N-CA 121.716 1.611 . . . . 0.0 111.214 178.701 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 164' ' ' THR . . . . . . . . . . . . . 14.1 t -157.95 -178.19 7.12 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.183 -177.309 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 165' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -70.12 -33.48 71.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.222 -173.085 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 166' ' ' THR . . . . . . . . . . . . . 70.3 p -101.84 21.15 15.06 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.214 -179.73 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 167' ' ' GLY . . . . . . . . . . . . . . . -62.6 -48.39 81.99 Favored Glycine 0 CA--C 1.524 0.61 0 N-CA-C 111.208 -0.757 . . . . 0.0 111.208 -178.142 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 168' ' ' LEU . . . . . 0.494 ' HA ' ' SG ' ' A' ' 161' ' ' CYS . 23.2 tp -65.03 -32.94 74.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.84 0.352 . . . . 0.0 111.226 179.815 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 97.3 mt -64.02 -41.4 92.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.265 175.578 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 170' ' ' ALA . . . . . . . . . . . . . . . -65.01 -39.43 93.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.197 176.712 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 171' ' ' GLY . . . . . . . . . . . . . . . -62.86 -45.68 95.19 Favored Glycine 0 CA--C 1.523 0.557 0 N-CA-C 111.167 -0.773 . . . . 0.0 111.167 177.856 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 57.7 tp -59.12 -56.56 20.61 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.81 0.338 . . . . 0.0 111.172 176.212 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 173' ' ' ARG . . . . . . . . . . . . . 38.1 ttm180 -53.88 -45.02 70.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.234 -179.331 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -59.3 -45.45 91.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.231 -177.307 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 68.9 p -73.26 -25.31 60.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.207 -176.145 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 176' ' ' GLN . . . . . . . . . . . . . 89.5 mm-40 -102.68 -6.26 22.89 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.181 -175.062 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 177' ' ' THR . . . . . . . . . . . . . 63.8 m -97.87 -48.76 5.06 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.173 174.577 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 178' ' ' GLU . . . . . . . . . . . . . 73.6 mm-40 -79.97 145.39 32.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.169 -179.561 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 179' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -64.89 129.95 41.64 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.262 -178.363 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 180' ' ' LEU . . . . . . . . . . . . . 85.7 mt . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.156 176.582 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.758 0.314 . . . . 0.0 111.224 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 85.5 mttt -74.24 157.25 36.2 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.214 175.57 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -164.82 173.8 11.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.193 -171.613 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.457 HD13 ' C ' ' A' ' 8' ' ' LEU . 3.1 tm? -95.89 121.05 37.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.23 172.707 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 85.1 t80 -84.47 125.34 32.29 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.223 -177.469 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.411 ' HB ' HG12 ' A' ' 44' ' ' ILE . 91.5 t -117.85 135.75 57.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.205 174.77 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 93.5 m -95.02 118.36 31.71 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.19 176.574 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 71.7 m -131.81 59.86 1.69 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.211 165.565 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -74.35 170.16 53.67 Favored Glycine 0 CA--C 1.522 0.512 0 N-CA-C 111.205 -0.758 . . . . 0.0 111.205 -175.693 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -73.68 -33.98 64.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.819 0.343 . . . . 0.0 111.24 -172.304 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 99.0 m -73.41 -50.09 23.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.181 -171.206 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 95.5 t -78.82 130.45 70.37 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.211 -173.847 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_exo -57.31 130.89 41.65 Favored 'Trans proline' 0 N--CA 1.457 -0.635 0 C-N-CA 121.68 1.587 . . . . 0.0 111.2 176.468 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 88.8 m-85 -133.98 69.85 74.74 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.226 168.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 36.2 Cg_endo -67.25 -61.5 0.08 OUTLIER 'Trans proline' 0 N--CA 1.458 -0.592 0 C-N-CA 121.736 1.624 . . . . 0.0 111.219 -177.358 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -117.67 4.64 12.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.202 178.878 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 95.9 mt -71.69 -23.8 61.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.21 -175.939 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 71.5 t -74.41 -40.33 49.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.22 175.948 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 85.0 p -68.38 -25.14 64.92 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.173 -179.332 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 98.7 m -71.83 -40.1 69.32 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.222 173.503 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 55.5 t -64.46 -37.38 79.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.235 174.495 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 97.4 mt -104.86 34.85 2.99 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.2 -176.651 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 55.4 p -75.88 159.47 30.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.208 173.398 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 97.9 m-20 -63.1 -40.03 96.43 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.172 178.765 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -73.39 -40.28 64.45 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.172 -176.071 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 59.8 t80 -61.85 -52.84 62.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.218 179.39 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 98.8 m -66.16 -36.28 82.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.202 -178.439 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 66.2 tt0 -56.22 -46.02 79.67 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.219 179.69 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 91.0 mt-10 -88.94 -22.38 23.11 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.181 -177.373 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 47.2 tp -53.78 -44.81 70.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.255 179.621 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 45.0 pt -74.21 -13.28 15.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.192 -179.776 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 67.6 mt-30 -94.93 -5.27 45.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.225 179.438 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 40.8 m-85 -105.06 10.83 33.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.217 172.935 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 86.86 27.23 29.56 Favored Glycine 0 CA--C 1.524 0.64 0 N-CA-C 111.114 -0.794 . . . . 0.0 111.114 174.68 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 81.8 m-85 -122.38 74.79 1.2 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.893 0.377 . . . . 0.0 111.206 176.167 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 33.1 m -83.48 -10.09 11.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.152 177.474 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 61.4 ttm-85 -112.19 120.74 42.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.168 172.481 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 63.4 tp -113.2 119.88 39.3 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.133 179.473 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.49 HG23 ' CD1' ' A' ' 96' ' ' PHE . 69.8 mt -114.32 114.88 47.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.228 -175.758 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.411 HG12 ' HB ' ' A' ' 10' ' ' VAL . 62.2 mt -114.64 113.51 43.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.24 -175.42 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 20.0 tm0? -81.62 117.46 22.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.217 178.311 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 70.1 m-85 -104.36 137.76 41.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.247 -178.629 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -83.43 -168.79 43.96 Favored Glycine 0 CA--C 1.523 0.586 0 N-CA-C 111.195 -0.762 . . . . 0.0 111.195 173.833 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 84.2 mtp180 -80.36 -19.83 45.52 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.776 0.322 . . . . 0.0 111.154 -177.605 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 92.8 m-20 -85.27 -13.93 48.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.206 -178.315 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 77.7 m-85 -124.39 104.06 8.55 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.198 -174.551 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 91.5 p -78.74 159.72 27.79 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.223 177.51 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 46.6 t -101.34 90.95 4.28 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.158 178.674 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 61.2 mm-40 -123.65 71.04 1.07 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.204 -177.444 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 82.3 m-85 -118.77 26.4 9.58 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.187 -174.319 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 25.1 pt-20 -73.76 -13.07 60.89 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.141 176.088 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 99.0 m-70 -89.53 -25.3 21.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.174 173.056 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 64.2 tp -60.83 -47.3 86.98 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.246 171.948 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 19.2 m -75.16 -25.0 17.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.143 179.354 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 66.0 tt0 -63.07 -40.07 96.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.301 178.435 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -73.08 -27.07 61.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.161 179.014 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 80.4 mmt-85 -95.58 -13.81 24.09 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.137 -171.78 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 89.03 22.22 39.32 Favored Glycine 0 CA--C 1.523 0.584 0 N-CA-C 111.166 -0.773 . . . . 0.0 111.166 177.836 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -95.76 -162.9 33.78 Favored Glycine 0 CA--C 1.523 0.589 0 N-CA-C 111.202 -0.759 . . . . 0.0 111.202 -179.569 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . 0.473 ' H ' ' HB ' ' A' ' 85' ' ' VAL . 10.3 mm-40 -129.97 159.95 35.12 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.772 0.32 . . . . 0.0 111.276 -177.119 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 7.0 tmm_? -119.38 120.66 37.53 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.251 175.697 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 -126.24 155.74 41.39 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.26 -177.653 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 88.6 p -87.88 159.39 18.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.193 -179.66 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 65.5 mm-40 -140.03 90.01 2.35 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.195 174.185 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -77.24 80.63 3.75 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.182 -178.618 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 50.0 mm -65.68 123.34 84.42 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.223 -176.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 80.0 Cg_exo -48.8 120.87 5.8 Favored 'Trans proline' 0 N--CA 1.458 -0.612 0 C-N-CA 121.77 1.647 . . . . 0.0 111.188 178.936 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 96.6 mt -76.8 -37.08 27.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.24 -176.169 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 99.7 m-20 -66.25 -23.0 66.34 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.175 -173.314 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 99.7 mm-40 -82.27 -50.17 9.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.204 -173.451 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 7.9 m-30 -99.98 -40.02 7.86 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.199 -177.494 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 101.52 -0.13 53.18 Favored Glycine 0 CA--C 1.523 0.558 0 N-CA-C 111.154 -0.778 . . . . 0.0 111.154 -174.235 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 29.0 p -88.26 -179.55 6.16 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.736 0.303 . . . . 0.0 111.212 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -80.15 163.41 47.09 Favored Glycine 0 CA--C 1.525 0.66 0 N-CA-C 111.182 -0.767 . . . . 0.0 111.182 -177.707 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 51.2 p-10 -108.49 30.34 6.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.853 0.358 . . . . 0.0 111.236 179.062 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 60.1 p -103.46 19.3 19.99 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.23 -173.801 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -65.35 145.83 55.68 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.194 -179.044 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -132.38 119.76 21.12 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.184 -172.081 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 62.2 tt0 -87.88 137.95 31.88 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.125 -177.653 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 84.8 m-85 -128.89 118.83 23.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.252 178.319 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.473 ' HB ' ' H ' ' A' ' 64' ' ' GLN . 84.7 t -88.44 117.7 32.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.205 -177.943 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 96.4 mt -124.88 168.67 12.94 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.286 179.095 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 82.1 mmm 61.42 30.45 18.93 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.125 175.377 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 96.3 m-20 64.95 33.25 10.0 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.228 176.862 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 97.7 -3.98 61.26 Favored Glycine 0 CA--C 1.523 0.539 0 N-CA-C 111.269 -0.732 . . . . 0.0 111.269 175.339 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -79.99 -23.92 41.23 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.811 0.338 . . . . 0.0 111.203 -178.404 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 60.0 tp -121.52 126.67 49.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.202 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -109.67 102.43 11.25 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.222 175.829 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 59.9 t -101.3 108.65 23.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.162 -178.477 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 73.8 mt -115.33 123.77 71.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.169 -178.174 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -86.9 132.13 10.98 Favored Glycine 0 CA--C 1.523 0.564 0 N-CA-C 111.202 -0.759 . . . . 0.0 111.202 171.108 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 96' ' ' PHE . . . . . 0.49 ' CD1' HG23 ' A' ' 43' ' ' ILE . 59.9 m-85 -114.6 151.66 33.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.79 0.329 . . . . 0.0 111.228 -174.175 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 53.1 t0 -102.04 69.72 1.18 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.178 -179.605 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 88.1 m-85 -103.66 157.45 17.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.201 172.597 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 52.4 p -78.53 178.3 7.88 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.194 172.001 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 74.3 p -74.55 -10.1 59.22 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.154 178.205 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -105.49 -7.01 18.94 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.181 179.745 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 66.6 mtt -103.11 6.55 38.59 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.167 -179.473 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 95.4 mt-30 -60.12 -32.95 71.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.18 178.003 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 73.3 m -57.79 -32.96 68.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.256 -178.169 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 94.1 mt -54.42 -52.87 35.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.249 178.445 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 96.9 mt -67.66 -43.9 86.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.206 179.771 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 88.4 mtm-85 -57.66 -37.16 72.91 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.11 -173.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 95.1 m-20 -62.12 -27.49 68.97 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.159 -178.889 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 109' ' ' TYR . . . . . . . . . . . . . 56.1 m-85 -95.28 -26.93 15.73 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.229 -178.146 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 65.3 p -67.88 162.54 23.94 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.256 -178.726 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 18.6 t70 -111.79 -9.94 14.06 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.232 178.892 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 63.0 tp -153.35 140.04 18.93 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.216 -179.79 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 91.4 t -112.33 121.65 65.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.224 -177.06 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 114' ' ' ILE . . . . . 0.403 HD12 HD11 ' A' ' 8' ' ' LEU . 62.1 mt -120.19 111.19 31.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.16 171.45 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 70.6 m -123.33 166.91 14.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.201 178.087 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 89.5 m-70 -110.49 84.58 1.95 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.127 178.571 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . 55.34 53.4 9.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.272 -173.456 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -83.84 -176.97 51.45 Favored Glycine 0 CA--C 1.523 0.541 0 N-CA-C 111.218 -0.753 . . . . 0.0 111.218 -179.763 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 38.4 p -125.05 -69.93 0.77 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.817 0.341 . . . . 0.0 111.139 -179.058 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -62.63 -30.69 77.48 Favored Glycine 0 CA--C 1.524 0.644 0 N-CA-C 111.185 -0.766 . . . . 0.0 111.185 -177.008 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 86.6 p -68.25 -25.86 65.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.857 0.36 . . . . 0.0 111.191 -179.068 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 122' ' ' ILE . . . . . 0.419 HG12 HD21 ' A' ' 132' ' ' LEU . 96.7 mt -62.06 -45.53 98.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.17 174.23 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 59.8 tp -66.06 -49.09 68.84 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.21 -177.484 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 72.5 m-20 -65.85 -35.87 81.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.272 -172.114 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 21.7 t -64.02 -51.98 61.64 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.167 178.132 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 93.9 mt -65.95 -26.89 67.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.179 173.899 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 69.1 ttp85 -69.07 -39.81 78.86 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.234 177.144 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 128' ' ' LEU . . . . . 0.414 ' O ' ' HB2' ' A' ' 129' ' ' ASN . 92.1 mt -87.75 -1.96 58.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.203 -176.474 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 129' ' ' ASN . . . . . 0.414 ' HB2' ' O ' ' A' ' 128' ' ' LEU . 89.9 m-20 67.16 35.05 4.68 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.235 -178.217 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 74.6 mmtt -114.73 148.69 40.94 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.221 179.482 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 57.5 Cg_exo -55.04 135.2 67.72 Favored 'Trans proline' 0 N--CA 1.456 -0.688 0 C-N-CA 121.703 1.602 . . . . 0.0 111.204 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 132' ' ' LEU . . . . . 0.419 HD21 HG12 ' A' ' 122' ' ' ILE . 61.1 tp -108.08 119.65 40.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.173 178.371 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 133' ' ' ILE . . . . . 0.401 ' HB ' HG12 ' A' ' 114' ' ' ILE . 87.5 mt -105.53 122.22 58.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.218 174.541 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 97.6 t -123.19 122.67 65.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.219 -178.642 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 135' ' ' CYS . . . . . . . . . . . . . 46.7 t -99.46 126.78 45.45 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.179 176.606 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 89.0 t -69.31 110.05 2.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.19 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 44.2 p30 . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.201 -177.848 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.774 0.321 . . . . 0.0 111.159 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 92.6 m-20 -65.04 -32.21 73.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.19 179.754 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 151' ' ' LYS . . . . . 0.402 ' HD3' ' HA ' ' A' ' 151' ' ' LYS . 67.5 mmtt -79.2 -31.09 43.68 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.219 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 152' ' ' PHE . . . . . . . . . . . . . 15.3 m-30 -61.43 -40.49 94.63 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.159 170.565 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 153' ' ' VAL . . . . . . . . . . . . . 67.6 t -68.4 -45.01 83.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.248 176.26 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 88.1 tt0 -58.47 -42.62 87.87 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.206 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 155' ' ' LEU . . . . . . . . . . . . . 50.6 tp -70.75 -53.41 15.64 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.219 178.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . 90.03 6.92 68.72 Favored Glycine 0 CA--C 1.524 0.604 0 N-CA-C 111.18 -0.768 . . . . 0.0 111.18 172.539 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 157' ' ' TYR . . . . . . . . . . . . . 92.9 m-85 -113.84 0.75 14.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.801 0.334 . . . . 0.0 111.194 178.094 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 158' ' ' VAL . . . . . . . . . . . . . 40.7 t -129.61 134.32 63.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.218 -178.464 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 159' ' ' TRP . . . . . . . . . . . . . 85.8 m95 -98.59 140.42 32.84 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.236 -178.164 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 160' ' ' SER . . . . . . . . . . . . . 42.6 t -105.89 115.92 31.06 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.193 179.581 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 161' ' ' CYS . . . . . . . . . . . . . 74.8 m -114.76 152.72 31.6 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.207 -178.132 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -83.93 156.28 64.16 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.23 173.43 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 163' ' ' PRO . . . . . . . . . . . . . 90.6 Cg_endo -77.16 64.18 7.81 Favored 'Trans proline' 0 N--CA 1.458 -0.576 0 C-N-CA 121.697 1.598 . . . . 0.0 111.233 -179.636 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 164' ' ' THR . . . . . . . . . . . . . 15.9 p -135.52 177.86 7.49 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.197 175.695 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 165' ' ' GLU . . . . . . . . . . . . . 25.2 pt-20 -76.71 -4.74 44.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.187 176.402 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 166' ' ' THR . . . . . . . . . . . . . 82.4 p -112.9 -26.69 8.41 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.162 -175.474 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 167' ' ' GLY . . . . . . . . . . . . . . . -63.9 -40.26 98.15 Favored Glycine 0 CA--C 1.523 0.568 0 N-CA-C 111.18 -0.768 . . . . 0.0 111.18 175.917 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 168' ' ' LEU . . . . . . . . . . . . . 96.0 mt -65.76 -35.53 80.97 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.793 0.33 . . . . 0.0 111.217 177.844 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 97.1 mt -67.78 -42.14 85.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.196 177.678 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 170' ' ' ALA . . . . . . . . . . . . . . . -60.84 -45.73 93.36 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.23 179.207 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 171' ' ' GLY . . . . . . . . . . . . . . . -67.36 -41.76 90.76 Favored Glycine 0 CA--C 1.524 0.606 0 N-CA-C 111.157 -0.777 . . . . 0.0 111.157 177.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 63.0 tp -55.34 -46.3 76.4 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.805 0.336 . . . . 0.0 111.222 177.583 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 173' ' ' ARG . . . . . . . . . . . . . 61.7 ttt85 -68.34 -39.83 81.77 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.202 177.123 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -60.56 -36.94 79.71 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.245 -175.224 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 54.7 p -63.05 -24.42 67.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.177 179.32 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 176' ' ' GLN . . . . . . . . . . . . . 88.9 mm-40 -100.56 2.01 41.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.192 -179.382 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 177' ' ' THR . . . . . . . . . . . . . 96.8 m -95.95 -51.81 4.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.166 -177.69 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 178' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -105.59 111.53 24.26 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.188 -177.643 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 179' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -65.54 129.87 41.28 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.212 174.396 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 180' ' ' LEU . . . . . . . . . . . . . 89.7 mt . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.214 -177.564 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 93.9 mt-10 . . . . . 0 C--O 1.232 0.15 0 CA-C-O 120.781 0.324 . . . . 0.0 111.233 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -80.85 150.02 29.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.14 -178.402 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . 0.515 ' HB3' ' HA ' ' A' ' 110' ' ' SER . . . -122.84 144.29 49.3 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.237 -176.408 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.441 HD23 ' HB2' ' A' ' 112' ' ' LEU . 92.6 mt -111.37 146.45 37.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.222 -178.634 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . 0.445 ' CD1' ' C ' ' A' ' 9' ' ' PHE . 1.0 OUTLIER -120.01 93.0 3.91 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.19 177.798 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 98.4 t -81.43 121.88 35.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.235 -176.44 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 75.5 m -125.06 116.07 21.52 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.195 169.438 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.444 ' HA ' ' HB2' ' A' ' 116' ' ' HIS . 79.3 m -80.28 151.01 29.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.216 -176.601 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -94.96 -164.92 35.39 Favored Glycine 0 CA--C 1.523 0.587 0 N-CA-C 111.209 -0.757 . . . . 0.0 111.209 -179.388 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -101.47 -30.19 11.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.757 0.313 . . . . 0.0 111.209 -174.378 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 95.7 m -60.16 -50.77 72.37 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.193 -173.755 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 96.6 t -92.82 134.82 26.96 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.16 178.813 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 89.7 Cg_exo -46.81 133.31 17.46 Favored 'Trans proline' 0 N--CA 1.458 -0.581 0 C-N-CA 121.7 1.6 . . . . 0.0 111.183 179.378 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . 0.562 ' HB3' ' HD3' ' A' ' 19' ' ' PRO . 89.7 t80 -58.14 -44.72 99.52 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.132 -172.289 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . 0.562 ' HD3' ' HB3' ' A' ' 18' ' ' PHE . 76.7 Cg_exo -55.22 -37.31 94.42 Favored 'Trans proline' 0 N--CA 1.458 -0.612 0 C-N-CA 121.753 1.635 . . . . 0.0 111.226 -179.864 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -73.92 -40.55 63.04 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.202 -175.185 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 89.4 mt -64.95 -35.72 82.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.231 178.636 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 70.0 t -72.54 -40.98 63.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.206 177.092 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 48.4 t -59.86 -41.06 90.64 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.169 -178.419 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 86.8 m -62.19 -30.74 71.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.175 178.613 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 73.7 t -82.89 -30.98 8.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.17 -179.233 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 96.7 mt -87.76 2.89 50.06 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.2 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 9.7 t -56.04 140.02 44.89 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.184 175.36 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 97.0 m-20 -64.8 -39.22 93.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.18 179.412 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -72.5 -37.93 68.26 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.151 179.068 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 69.9 t80 -56.12 -48.7 75.69 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.231 173.47 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 87.4 m -67.49 -38.88 85.03 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.197 179.617 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 66.6 tt0 -55.6 -41.26 73.17 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.197 178.51 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 71.0 mm-40 -65.03 -43.11 93.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.174 179.102 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.401 HD21 HD13 ' A' ' 172' ' ' LEU . 81.7 mt -59.36 -35.72 74.4 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.23 -178.853 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 91.2 mt -59.57 -40.05 81.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.167 179.255 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 90.2 mt-30 -75.37 -34.43 61.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.215 179.236 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 13.7 m-30 -65.07 -41.16 95.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.154 -177.181 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 121.58 21.16 3.05 Favored Glycine 0 CA--C 1.524 0.639 0 N-CA-C 111.221 -0.752 . . . . 0.0 111.221 -177.597 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 92.3 m-85 -99.81 133.33 44.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.805 0.336 . . . . 0.0 111.204 176.641 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 87.5 t -121.14 -35.53 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.185 -173.65 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 81.9 mtt85 -110.22 109.95 20.61 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.213 -178.342 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 65.3 tp -110.63 101.49 10.14 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.156 -177.307 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.506 HG12 ' HB ' ' A' ' 94' ' ' ILE . 96.0 mt -101.81 134.49 42.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.14 -174.797 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 78.4 mt -121.19 130.57 74.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.223 177.851 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 66.2 tt0 -75.18 127.72 33.85 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.216 174.032 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . 0.471 ' CB ' ' HA3' ' A' ' 47' ' ' GLY . 72.6 m-85 -119.76 158.33 26.75 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.234 177.715 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . 0.471 ' HA3' ' CB ' ' A' ' 46' ' ' PHE . . . 123.12 18.4 3.13 Favored Glycine 0 CA--C 1.524 0.627 0 N-CA-C 111.247 -0.741 . . . . 0.0 111.247 5.707 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 96.9 mtt180 65.03 56.86 1.01 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.823 0.344 . . . . 0.0 111.192 173.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 76.4 m-20 52.91 44.95 29.73 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.253 174.734 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 28.0 t80 -66.83 -18.41 65.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.173 -179.209 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 31.7 m -49.7 -35.41 21.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.192 175.503 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 88.8 p -69.77 -18.29 63.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.178 -177.111 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 73.6 mm-40 -80.94 -19.9 43.19 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.252 -178.799 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 72.2 m-85 -73.73 -15.62 61.21 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.183 177.54 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 75.2 mm-40 -63.26 -18.42 63.54 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.21 173.482 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 98.4 m-70 -108.92 -34.94 6.49 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.149 178.075 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 60.7 tp -73.05 -57.72 3.83 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.211 -178.761 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 71.8 t -65.08 -38.81 83.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.141 -178.651 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 68.7 tp60 -65.1 -40.7 94.95 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.196 179.332 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 89.1 tt0 -66.67 -40.16 88.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.214 176.476 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -74.49 -22.24 59.17 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.267 -179.077 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 85.68 31.88 20.14 Favored Glycine 0 CA--C 1.524 0.616 0 N-CA-C 111.233 -0.747 . . . . 0.0 111.233 174.571 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -95.01 -166.28 35.7 Favored Glycine 0 CA--C 1.523 0.556 0 N-CA-C 111.163 -0.775 . . . . 0.0 111.163 -179.758 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 95.8 mm-40 -122.53 154.61 37.65 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.805 0.336 . . . . 0.0 111.222 176.736 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 33.5 ptt-85 -155.54 133.97 11.72 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.215 -173.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -150.93 138.81 19.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.188 -176.894 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 87.2 p -72.76 164.02 27.2 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.215 -172.277 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 64.3 tt0 -130.63 129.52 42.79 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.121 179.142 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -95.16 75.6 3.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.238 -176.131 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 95.1 mt -75.01 129.58 82.74 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.182 174.719 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 87.9 Cg_exo -55.03 129.18 33.94 Favored 'Trans proline' 0 N--CA 1.458 -0.591 0 C-N-CA 121.754 1.636 . . . . 0.0 111.128 -174.873 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 96.4 mt -71.21 -38.06 68.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.238 174.279 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 99.3 m-20 -64.42 -37.38 87.31 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.229 -178.608 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 64.6 tt0 -85.68 -43.78 13.13 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.141 -174.697 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 97.5 m-85 -114.98 -44.33 3.04 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.222 -174.852 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 96.19 16.4 38.08 Favored Glycine 0 CA--C 1.522 0.504 0 N-CA-C 111.233 -0.747 . . . . 0.0 111.233 -177.701 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' CYS . . . . . 0.426 ' SG ' ' HB2' ' A' ' 81' ' ' ALA . 45.3 t -65.35 139.96 58.62 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.751 0.31 . . . . 0.0 111.221 -179.727 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -82.88 -164.73 36.1 Favored Glycine 0 CA--C 1.524 0.601 0 N-CA-C 111.156 -0.778 . . . . 0.0 111.156 -179.318 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 58.5 p-10 -95.68 11.94 31.57 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.792 0.329 . . . . 0.0 111.235 -174.352 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 81.2 p -88.48 -15.09 36.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.191 178.596 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.426 ' HB2' ' SG ' ' A' ' 77' ' ' CYS . . . -55.54 111.62 0.94 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.199 178.1 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 42.8 ttt180 -148.53 140.25 23.68 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.157 178.681 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' GLN . . . . . 0.421 ' HG2' HG12 ' A' ' 94' ' ' ILE . 78.5 mt-30 -96.93 144.35 26.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.174 177.946 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' TYR . . . . . 0.426 ' N ' ' O ' ' A' ' 93' ' ' VAL . 60.5 m-85 -129.72 92.07 3.26 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.14 -173.674 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 91.8 t -74.36 113.08 12.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.191 -175.007 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 91.0 mt -128.69 172.82 10.87 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.174 -172.946 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 85.2 mmm 70.01 33.13 2.84 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.218 177.479 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 96.5 m-20 64.89 35.06 8.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.18 -178.883 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 75.08 40.04 35.84 Favored Glycine 0 CA--C 1.524 0.61 0 N-CA-C 111.183 -0.767 . . . . 0.0 111.183 179.125 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -119.03 -20.0 8.25 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.826 0.346 . . . . 0.0 111.212 -178.693 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 50.0 tp -141.03 129.99 23.17 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.173 174.667 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -100.53 102.89 14.18 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.245 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . 0.426 ' O ' ' N ' ' A' ' 84' ' ' TYR . 89.2 t -89.64 124.99 42.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.225 177.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . 0.506 ' HB ' HG12 ' A' ' 43' ' ' ILE . 64.8 mt -122.47 134.92 64.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.203 -172.381 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -114.98 134.13 11.44 Favored Glycine 0 CA--C 1.524 0.625 0 N-CA-C 111.213 -0.755 . . . . 0.0 111.213 -173.308 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 70.6 m-85 -130.03 143.37 50.76 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.837 0.351 . . . . 0.0 111.197 166.904 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 60.0 t0 -94.96 82.79 3.86 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.216 169.464 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 5.6 m-30 -116.01 140.02 49.68 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.209 -166.361 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 59.6 p -76.31 -179.02 4.84 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.17 169.736 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 77.1 p -71.01 -14.3 62.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.269 178.136 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -92.86 -8.85 42.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.195 177.758 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 64.2 mtt -105.01 1.59 28.79 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.176 179.527 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 95.0 mt-30 -62.32 -31.44 72.06 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.161 179.56 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 104' ' ' SER . . . . . 0.523 ' HA ' ' HG2' ' A' ' 107' ' ' ARG . 39.2 m -64.94 -24.84 67.64 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.209 -178.169 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 96.4 mt -63.08 -43.75 99.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.176 176.674 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 86.3 mt -74.54 -42.05 48.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.207 -175.073 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 107' ' ' ARG . . . . . 0.523 ' HG2' ' HA ' ' A' ' 104' ' ' SER . 24.9 ptt180 -70.33 -10.08 57.99 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.243 -175.67 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 97.0 m-20 -73.15 -17.61 61.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.137 169.453 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 109' ' ' TYR . . . . . . . . . . . . . 72.2 m-85 -112.3 -26.68 8.64 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.259 177.534 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 110' ' ' SER . . . . . 0.515 ' HA ' ' HB3' ' A' ' 7' ' ' ALA . 75.2 m -90.54 157.5 17.5 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.201 -173.428 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 61.0 m-20 -105.01 -56.06 2.23 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.205 177.898 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . 0.441 ' HB2' HD23 ' A' ' 8' ' ' LEU . 8.8 mp -105.82 109.44 21.39 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.188 -174.544 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . 0.437 ' HA ' ' HB3' ' A' ' 9' ' ' PHE . 9.9 p -71.47 141.74 16.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.144 173.856 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 89.8 mt -120.19 109.69 26.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.198 176.683 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 37.6 t -101.15 109.58 21.48 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.202 -178.11 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 116' ' ' HIS . . . . . 0.444 ' HB2' ' HA ' ' A' ' 12' ' ' CYS . 83.7 m-70 -82.39 143.66 31.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.171 -178.915 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . 55.05 54.5 8.84 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.179 171.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 121.53 -171.03 14.91 Favored Glycine 0 CA--C 1.523 0.564 0 N-CA-C 111.244 -0.742 . . . . 0.0 111.244 174.12 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 41.3 p -107.14 36.51 2.66 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.791 0.329 . . . . 0.0 111.14 -172.382 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -58.75 -46.95 92.7 Favored Glycine 0 CA--C 1.523 0.59 0 N-CA-C 111.213 -0.755 . . . . 0.0 111.213 -174.859 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 9.8 m -105.01 24.95 11.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.817 0.342 . . . . 0.0 111.218 -175.225 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 122' ' ' ILE . . . . . 0.424 HD11 HG21 ' A' ' 158' ' ' VAL . 16.1 tt -65.19 -20.01 26.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.155 -179.281 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 92.0 mt -96.64 -8.97 30.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.221 -172.612 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 124' ' ' ASP . . . . . 0.4 ' HB2' HG21 ' A' ' 113' ' ' VAL . 89.1 m-20 -68.34 -46.58 69.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.199 -171.773 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 63.1 m -98.74 3.11 47.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.097 -179.541 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 66.3 tp -62.67 -52.67 62.41 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.208 176.941 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -66.75 -24.66 66.24 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.213 178.921 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 96.5 mt -77.06 -11.67 59.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.238 179.443 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 77.5 m-20 66.6 34.91 5.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.237 -179.82 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 40.9 mmtm -113.06 155.76 43.82 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.164 -178.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_exo -54.94 138.06 77.19 Favored 'Trans proline' 0 N--CA 1.458 -0.613 0 C-N-CA 121.71 1.606 . . . . 0.0 111.233 178.578 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 132' ' ' LEU . . . . . 0.58 ' HB2' HG22 ' A' ' 158' ' ' VAL . 78.9 mt -102.82 130.69 49.9 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.163 -177.822 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 42.4 mm -108.94 118.53 56.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.219 176.392 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 76.9 t -124.9 124.95 68.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.194 179.82 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 135' ' ' CYS . . . . . 0.431 ' HB3' ' HA ' ' A' ' 116' ' ' HIS . 47.4 t -104.05 130.26 51.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.233 175.651 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 32.8 m -85.03 151.32 3.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.21 177.251 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 48.1 p30 . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.24 -179.2 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.778 0.323 . . . . 0.0 111.177 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 92.5 m-20 -62.38 -34.2 76.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.258 178.677 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 151' ' ' LYS . . . . . 0.428 ' HD3' ' HA ' ' A' ' 151' ' ' LYS . 61.2 mmtt -80.1 -30.08 39.11 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.194 -178.895 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 152' ' ' PHE . . . . . . . . . . . . . 14.5 m-30 -59.93 -38.65 82.97 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.228 171.253 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 153' ' ' VAL . . . . . . . . . . . . . 79.1 t -68.46 -40.05 81.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.222 176.762 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -76.37 -19.63 57.98 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.145 176.642 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 155' ' ' LEU . . . . . . . . . . . . . 62.8 tp -80.22 -54.47 5.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.19 -177.107 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 156' ' ' GLY . . . . . 0.491 ' HA2' ' HB2' ' A' ' 180' ' ' LEU . . . 85.18 8.0 82.38 Favored Glycine 0 CA--C 1.523 0.544 0 N-CA-C 111.154 -0.778 . . . . 0.0 111.154 174.454 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 157' ' ' TYR . . . . . . . . . . . . . 98.9 m-85 -116.22 -25.0 7.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.794 0.33 . . . . 0.0 111.229 177.615 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 158' ' ' VAL . . . . . 0.58 HG22 ' HB2' ' A' ' 132' ' ' LEU . 57.6 t -119.95 140.03 45.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.217 -176.356 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 159' ' ' TRP . . . . . . . . . . . . . 16.9 m-90 -114.93 140.98 48.56 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.232 175.468 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 160' ' ' SER . . . . . . . . . . . . . 35.2 t -87.9 138.14 31.72 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.153 -172.444 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 161' ' ' CYS . . . . . 0.416 ' SG ' ' HA3' ' A' ' 171' ' ' GLY . 73.4 m -122.07 151.7 40.61 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.214 169.777 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -88.64 155.68 50.64 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.218 177.17 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 163' ' ' PRO . . . . . . . . . . . . . 95.2 Cg_endo -77.0 65.04 7.81 Favored 'Trans proline' 0 N--CA 1.458 -0.573 0 C-N-CA 121.667 1.578 . . . . 0.0 111.169 -179.743 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 164' ' ' THR . . . . . . . . . . . . . 13.0 t -159.93 -179.13 7.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.203 176.647 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 165' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -62.92 -45.97 90.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.195 -173.17 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 166' ' ' THR . . . . . . . . . . . . . 71.6 p -89.8 -10.11 46.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.199 -174.165 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 167' ' ' GLY . . . . . . . . . . . . . . . -66.67 -43.34 92.21 Favored Glycine 0 CA--C 1.524 0.598 0 N-CA-C 111.193 -0.763 . . . . 0.0 111.193 -178.549 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 168' ' ' LEU . . . . . . . . . . . . . 42.9 tp -66.05 -50.48 64.01 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.858 0.361 . . . . 0.0 111.128 179.819 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 169' ' ' ILE . . . . . 0.408 HD12 ' HA ' ' A' ' 169' ' ' ILE . 8.6 tp -67.37 -23.69 30.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.212 -175.854 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 170' ' ' ALA . . . . . . . . . . . . . . . -69.74 -43.03 73.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.25 174.176 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 171' ' ' GLY . . . . . 0.416 ' HA3' ' SG ' ' A' ' 161' ' ' CYS . . . -71.64 -30.61 66.14 Favored Glycine 0 CA--C 1.522 0.513 0 N-CA-C 111.241 -0.743 . . . . 0.0 111.241 177.148 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 172' ' ' LEU . . . . . 0.401 HD13 HD21 ' A' ' 34' ' ' LEU . 81.6 mt -69.53 -34.52 74.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.753 0.311 . . . . 0.0 111.17 174.571 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 173' ' ' ARG . . . . . . . . . . . . . 37.1 ttm180 -66.71 -39.99 88.26 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.25 168.444 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -65.02 -33.57 76.37 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.234 -176.687 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 47.4 p -64.89 -18.28 65.05 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.163 178.195 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 176' ' ' GLN . . . . . . . . . . . . . 93.5 mm-40 -106.63 -26.96 11.12 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.211 -176.36 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 177' ' ' THR . . . . . . . . . . . . . 79.3 p -115.04 -42.87 3.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.189 -171.254 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 178' ' ' GLU . . . . . . . . . . . . . 18.5 tp10 -84.95 107.86 17.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.259 -172.394 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 179' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -80.21 119.35 22.85 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.25 175.036 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 180' ' ' LEU . . . . . 0.491 ' HB2' ' HA2' ' A' ' 156' ' ' GLY . 74.0 mt . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.225 178.396 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.536 0 N-CA-C 111.233 -0.747 . . . . 0.0 111.233 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 96.7 mt -77.11 -49.99 21.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 120.775 0.321 . . . . 0.0 111.188 178.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 96.7 mt -76.95 -48.97 24.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.192 -176.8 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 -116.14 145.05 43.37 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.252 -177.873 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 60.2 mm-40 -86.49 139.99 30.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.229 178.345 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -83.36 151.99 25.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.22 179.162 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -154.72 144.32 21.45 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.186 -176.579 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 63.2 tp -111.2 122.56 48.19 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.228 176.118 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 70.6 t80 -102.45 129.61 48.99 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.234 -174.182 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 97.2 t -115.32 128.88 72.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.274 177.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 9.1 t -136.66 147.38 46.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.193 174.215 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 75.7 m -121.99 151.98 40.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.185 -176.264 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -91.77 -166.89 40.13 Favored Glycine 0 CA--C 1.523 0.57 0 N-CA-C 111.145 -0.782 . . . . 0.0 111.145 174.793 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -98.46 5.89 47.67 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.806 0.336 . . . . 0.0 111.267 178.595 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 90.3 m -60.22 -45.96 91.4 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.206 -176.148 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 27.7 m -132.73 162.17 59.0 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.26 178.756 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_exo -55.09 137.59 76.89 Favored 'Trans proline' 0 N--CA 1.458 -0.575 0 C-N-CA 121.699 1.6 . . . . 0.0 111.163 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . 0.537 ' N ' ' CD ' ' A' ' 19' ' ' PRO . 69.6 t80 -66.53 -42.99 50.09 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.212 -178.6 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.537 ' CD ' ' N ' ' A' ' 18' ' ' PHE . 79.8 Cg_exo -51.61 -35.7 57.83 Favored 'Trans proline' 0 N--CA 1.458 -0.571 0 C-N-CA 121.644 1.563 . . . . 0.0 111.173 -178.918 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -73.18 -24.02 60.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.127 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 87.0 mt -87.18 -9.06 56.16 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.236 -179.091 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 75.4 t -73.07 -40.9 59.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.19 178.06 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 84.1 p -71.14 -19.73 62.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.217 -179.867 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 87.0 m -78.51 -16.65 57.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.248 -179.628 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 26.8 m -120.76 3.96 6.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.243 -178.66 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 91.1 mt -126.26 31.71 5.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.188 171.676 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 51.5 p -79.64 164.98 23.35 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.23 178.196 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 89.0 m-20 -59.55 -46.28 89.34 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.244 -178.508 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -73.91 -40.86 62.84 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.181 -178.56 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 57.4 t80 -55.08 -46.15 75.43 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.18 -177.048 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 89.5 m -75.9 -42.43 49.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.133 -178.336 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 65.2 tt0 -65.99 -33.67 76.35 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.242 -173.778 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 73.4 mm-40 -80.03 -39.72 29.27 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.229 -174.706 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.469 HD21 HD13 ' A' ' 172' ' ' LEU . 40.1 mt -65.7 -36.32 83.3 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.204 -172.901 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 49.4 pt -69.05 -11.63 15.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.206 179.257 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 61.0 mt-30 -101.33 -12.42 18.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.244 174.217 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 19.2 m-30 -90.26 -27.59 19.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.219 178.463 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 113.55 22.82 5.31 Favored Glycine 0 CA--C 1.523 0.531 0 N-CA-C 111.199 -0.761 . . . . 0.0 111.199 -177.568 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 88.4 m-85 -118.3 75.09 0.99 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.783 0.325 . . . . 0.0 111.183 177.178 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 31.1 m -94.09 -6.43 10.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.199 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 92.0 mtt-85 -109.48 93.52 4.55 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.2 175.653 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 60.1 tp -104.08 116.24 31.87 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.252 -175.63 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 5.3 mp -114.18 119.54 61.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.198 -179.276 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 65.4 mt -115.54 124.79 72.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.162 -175.469 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 3.5 pp0? -102.42 144.82 30.4 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.232 -169.209 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 31.9 p90 -151.79 160.09 43.69 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.238 172.431 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -102.56 -27.92 6.56 Favored Glycine 0 CA--C 1.522 0.499 0 N-CA-C 111.27 -0.732 . . . . 0.0 111.27 -178.544 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 96.6 mtt-85 -111.8 146.68 37.2 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.778 0.323 . . . . 0.0 111.163 175.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 57.9 t-20 -59.36 109.33 0.85 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.195 -174.298 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 74.0 m-85 -124.81 27.65 6.73 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.161 172.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 92.9 p -66.38 -22.39 66.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.242 -172.137 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 93.3 p -71.99 -25.45 61.84 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.218 179.355 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 73.2 mm-40 -75.59 -26.85 58.24 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.202 178.665 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 98.3 m-85 -80.14 -45.46 18.12 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.23 176.154 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 88.2 tt0 -63.46 -36.69 84.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.219 178.184 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 83.9 t60 -56.58 -54.59 44.21 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.272 -178.86 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 84.2 mt -68.54 -25.4 64.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.217 -173.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 55.1 t -66.77 -42.45 89.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.245 171.136 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 88.2 mt-30 -70.35 -21.45 62.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.188 176.433 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 77.5 mm-40 -81.15 -2.42 48.41 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.202 176.634 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 90.6 mmt-85 -126.18 -3.11 6.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.228 175.138 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 74.62 27.03 66.03 Favored Glycine 0 CA--C 1.523 0.576 0 N-CA-C 111.226 -0.75 . . . . 0.0 111.226 174.897 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -86.32 -172.24 48.45 Favored Glycine 0 CA--C 1.523 0.555 0 N-CA-C 111.197 -0.761 . . . . 0.0 111.197 -178.452 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 97.1 mm-40 -115.03 171.89 7.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.757 0.313 . . . . 0.0 111.195 178.822 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -168.04 150.01 5.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.182 176.279 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 44.5 tt0 -151.0 130.46 12.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.181 -175.06 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 69.7 m -72.86 121.0 19.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.277 172.623 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 89.5 mt-30 -130.01 154.87 46.96 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.264 -168.348 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -80.08 70.31 6.65 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.174 175.726 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 46.1 mm -62.07 123.37 77.62 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.232 -176.705 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 58.4 Cg_exo -57.66 129.9 36.01 Favored 'Trans proline' 0 N--CA 1.458 -0.584 0 C-N-CA 121.704 1.603 . . . . 0.0 111.19 -177.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 93.9 mt -71.24 -36.49 62.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.226 171.379 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 99.0 m-20 -61.93 -37.08 83.36 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.173 178.865 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 50.9 tp60 -79.96 -65.3 1.02 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.246 -179.514 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 95.5 m-85 -97.73 -43.47 7.15 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.187 -173.613 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 112.97 -15.62 23.41 Favored Glycine 0 CA--C 1.522 0.482 0 N-CA-C 111.175 -0.77 . . . . 0.0 111.175 -176.351 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 71.6 m -71.66 159.91 33.58 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.845 0.355 . . . . 0.0 111.127 176.536 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -92.85 -166.96 38.9 Favored Glycine 0 CA--C 1.523 0.56 0 N-CA-C 111.239 -0.745 . . . . 0.0 111.239 -174.088 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 99.1 m-20 -84.66 -7.09 59.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.805 0.336 . . . . 0.0 111.213 -174.381 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 69.7 p -96.9 0.82 49.67 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.204 178.665 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -65.23 144.7 57.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.231 176.731 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 43.4 ttm180 -114.14 132.49 56.05 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.129 -179.054 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 49.7 tt0 -91.38 129.9 37.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.147 173.747 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . 0.433 ' HB2' ' HB ' ' A' ' 93' ' ' VAL . 76.8 m-85 -111.59 140.15 46.44 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.223 178.312 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 92.4 t -105.47 111.72 35.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.252 -174.416 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 92.8 mt -125.83 158.43 35.04 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.157 179.621 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 76.8 mmm 60.56 33.0 20.53 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.161 178.346 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 96.5 m-20 65.08 34.09 9.02 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.144 177.728 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 94.97 -4.08 67.71 Favored Glycine 0 CA--C 1.523 0.567 0 N-CA-C 111.252 -0.739 . . . . 0.0 111.252 175.013 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -74.73 -26.69 59.97 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.781 0.324 . . . . 0.0 111.15 -179.794 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 65.5 tp -117.31 120.78 39.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.176 175.608 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -108.08 117.43 34.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.213 175.855 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . 0.433 ' HB ' ' HB2' ' A' ' 84' ' ' TYR . 64.0 t -110.71 125.38 68.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.214 -174.872 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 88.1 mt -105.92 121.47 58.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.158 177.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -114.71 135.02 12.05 Favored Glycine 0 CA--C 1.523 0.573 0 N-CA-C 111.188 -0.765 . . . . 0.0 111.188 175.634 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 72.4 t80 -156.82 141.19 16.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.826 0.346 . . . . 0.0 111.143 -173.448 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 63.1 t0 -83.3 105.05 13.94 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.199 173.879 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 69.1 m-85 -83.32 145.0 29.32 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.161 -173.749 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 47.8 t -115.02 -65.0 1.24 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.17 -171.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 41.9 p -116.75 -105.2 0.4 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.228 -169.062 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -97.17 0.95 49.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.189 -173.468 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 76.5 mtm -62.97 -29.91 71.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.163 179.462 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 7.8 pt20 -73.17 -22.39 60.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.188 178.879 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 71.5 m -84.84 -29.84 24.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.227 176.82 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 96.8 mt -64.0 -48.59 85.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.128 175.226 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 8.8 tp -66.82 -30.02 48.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.178 -179.819 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 81.3 mtm-85 -63.62 -49.12 74.54 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.201 175.684 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 97.9 m-20 -64.77 -35.92 82.63 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.248 177.187 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' TYR . . . . . . . . . . . . . 88.6 t80 -67.78 -40.23 83.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.213 178.31 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 77.4 p -70.84 166.41 21.13 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.208 -175.045 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 45.7 m-20 -101.31 -34.47 9.61 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.229 178.189 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 64.5 tp -137.3 129.87 29.96 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.199 -172.19 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 99.4 t -104.09 129.53 56.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.187 -176.766 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 114' ' ' ILE . . . . . 0.432 HD11 HD21 ' A' ' 172' ' ' LEU . 96.4 mt -106.39 123.71 61.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.245 173.881 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 48.1 t -108.47 113.77 27.07 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.232 175.847 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 93.0 m-70 -83.73 89.88 7.22 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.193 172.494 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . 47.55 45.05 17.52 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.22 -177.673 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -88.2 175.05 44.31 Favored Glycine 0 CA--C 1.523 0.564 0 N-CA-C 111.252 -0.739 . . . . 0.0 111.252 -179.133 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 38.0 p -125.09 -70.38 0.75 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.832 0.349 . . . . 0.0 111.187 177.858 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -65.83 -27.81 73.08 Favored Glycine 0 CA--C 1.524 0.639 0 N-CA-C 111.153 -0.779 . . . . 0.0 111.153 177.722 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 84.5 p -65.18 -30.77 71.71 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.798 0.332 . . . . 0.0 111.174 178.644 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 122' ' ' ILE . . . . . . . . . . . . . 95.0 mt -69.13 -44.37 80.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.214 173.907 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 81.5 mt -61.46 -35.27 77.15 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.242 174.926 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 96.1 m-20 -65.95 -50.41 64.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.17 -175.912 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 21.1 t -62.71 -40.46 97.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.181 179.516 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 88.4 mt -73.42 -20.64 60.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.199 -179.851 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 80.8 ttt180 -85.81 -35.11 20.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.183 176.727 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 97.0 mt -89.05 2.92 53.32 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.238 -176.031 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 33.0 m120 65.84 37.32 5.63 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.228 177.426 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 71.7 mmtt -108.78 145.71 32.23 Favored Pre-proline 0 C--N 1.33 -0.257 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.209 176.383 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_endo -65.02 143.97 80.68 Favored 'Trans proline' 0 N--CA 1.459 -0.52 0 C-N-CA 121.693 1.596 . . . . 0.0 111.163 175.16 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 61.0 tp -131.49 124.05 29.34 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.185 -167.671 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 83.1 mt -106.6 121.04 58.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.191 166.867 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 81.0 t -108.81 118.54 56.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.209 -176.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 135' ' ' CYS . . . . . . . . . . . . . 52.8 t -93.41 122.15 35.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.181 174.088 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 27.1 m -84.66 172.83 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.276 -176.278 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 64.3 t30 -97.76 166.46 11.47 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.195 179.426 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 57.0 p-10 -86.93 0.11 55.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.168 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 89.7 p -85.06 -15.65 43.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.211 171.057 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 49.0 tp -76.25 132.93 40.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.24 177.377 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 141' ' ' MET . . . . . . . . . . . . . 59.8 ttm -56.26 135.43 53.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.193 179.371 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -53.57 -38.08 63.53 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.193 -177.584 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 99.6 m-20 -64.78 -37.0 86.12 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.27 176.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 144' ' ' HIS . . . . . . . . . . . . . 66.2 m170 -73.08 -30.28 63.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.21 179.569 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 145' ' ' GLN . . . . . . . . . . . . . 81.3 mt-30 -61.48 -50.8 71.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.139 175.811 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 146' ' ' GLN . . . . . . . . . . . . . 70.8 tp60 -69.97 -35.44 74.45 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.184 179.723 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 147' ' ' GLN . . . . . . . . . . . . . 72.0 tp60 -60.27 -45.22 94.07 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.162 179.008 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 148' ' ' ILE . . . . . . . . . . . . . 85.7 mt -65.54 -44.36 94.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.17 176.141 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -59.24 -41.61 89.13 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.241 -179.785 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 93.7 m-20 -59.51 -38.84 82.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.173 -176.512 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 151' ' ' LYS . . . . . . . . . . . . . 74.9 mmtt -84.72 -33.83 23.04 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.147 -173.263 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 152' ' ' PHE . . . . . . . . . . . . . 11.0 m-30 -71.01 -36.16 72.31 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.247 176.184 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 153' ' ' VAL . . . . . . . . . . . . . 54.0 t -68.41 -40.2 81.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.215 173.387 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -56.82 -41.01 77.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.155 171.026 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 155' ' ' LEU . . . . . . . . . . . . . 44.6 tp -59.65 -58.29 9.25 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.23 176.424 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . 96.0 5.26 59.73 Favored Glycine 0 CA--C 1.522 0.504 0 N-CA-C 111.194 -0.762 . . . . 0.0 111.194 175.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 157' ' ' TYR . . . . . . . . . . . . . 34.8 m-85 -122.63 -10.79 8.31 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.8 0.333 . . . . 0.0 111.23 -179.313 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 158' ' ' VAL . . . . . . . . . . . . . 77.9 t -129.82 140.0 50.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.215 173.168 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 159' ' ' TRP . . . . . . . . . . . . . 51.9 t-105 -121.77 128.43 51.73 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.242 179.7 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 160' ' ' SER . . . . . . . . . . . . . 33.6 t -94.61 139.13 31.61 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.222 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 161' ' ' CYS . . . . . . . . . . . . . 91.8 m -125.46 151.78 45.8 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.16 179.171 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -74.51 161.12 79.37 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.19 -178.431 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 163' ' ' PRO . . . . . . . . . . . . . 85.5 Cg_endo -79.5 64.2 8.82 Favored 'Trans proline' 0 N--CA 1.457 -0.653 0 C-N-CA 121.773 1.649 . . . . 0.0 111.219 -177.632 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 164' ' ' THR . . . . . . . . . . . . . 1.9 p -140.16 174.06 10.89 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.167 174.791 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 165' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -83.57 12.25 5.99 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.253 178.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 166' ' ' THR . . . . . . . . . . . . . 74.5 p -132.23 -25.48 1.98 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.223 -174.599 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 167' ' ' GLY . . . . . . . . . . . . . . . -64.93 -33.92 88.53 Favored Glycine 0 CA--C 1.524 0.611 0 N-CA-C 111.223 -0.751 . . . . 0.0 111.223 178.845 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 168' ' ' LEU . . . . . . . . . . . . . 55.5 tp -68.44 -52.04 37.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.77 0.319 . . . . 0.0 111.172 -179.013 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 10.0 tp -67.79 -24.2 30.44 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.187 -179.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 170' ' ' ALA . . . . . . . . . . . . . . . -65.34 -41.03 94.33 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.204 170.529 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 171' ' ' GLY . . . . . . . . . . . . . . . -71.7 -30.41 66.26 Favored Glycine 0 CA--C 1.523 0.536 0 N-CA-C 111.231 -0.747 . . . . 0.0 111.231 175.711 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 172' ' ' LEU . . . . . 0.469 HD13 HD21 ' A' ' 34' ' ' LEU . 58.6 mt -73.01 -25.49 60.99 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.813 0.339 . . . . 0.0 111.211 176.57 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 173' ' ' ARG . . . . . . . . . . . . . 42.6 ttm180 -72.09 -37.83 69.49 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.22 164.668 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -77.64 -14.13 59.72 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.21 -176.81 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 28.8 p -63.64 -22.89 67.14 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.215 178.087 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 176' ' ' GLN . . . . . . . . . . . . . 85.7 mt-30 -113.52 -42.78 3.41 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.251 177.297 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 177' ' ' THR . . . . . . . . . . . . . 92.9 m -64.56 -47.0 80.38 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.18 179.353 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 178' ' ' GLU . . . . . . . . . . . . . 68.6 mm-40 -100.18 165.17 11.63 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.16 178.734 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 179' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -66.8 107.16 2.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.219 -178.895 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 180' ' ' LEU . . . . . . . . . . . . . 56.5 tp -141.47 109.92 5.98 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.22 169.845 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 181' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -121.43 160.32 46.46 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.236 -175.458 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 182' ' ' PRO . . . . . . . . . . . . . 51.5 Cg_exo -55.78 135.61 70.41 Favored 'Trans proline' 0 N--CA 1.458 -0.576 0 C-N-CA 121.756 1.638 . . . . 0.0 111.165 176.526 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 183' ' ' PHE . . . . . 0.4 ' CE2' ' HB ' ' A' ' 185' ' ' VAL . 34.4 t80 -64.58 118.01 43.6 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.195 179.22 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 184' ' ' PRO . . . . . . . . . . . . . 71.3 Cg_endo -82.92 -31.63 0.69 Allowed 'Trans proline' 0 N--CA 1.458 -0.598 0 C-N-CA 121.707 1.605 . . . . 0.0 111.206 -169.236 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 185' ' ' VAL . . . . . 0.4 ' HB ' ' CE2' ' A' ' 183' ' ' PHE . 98.9 t -76.22 122.37 30.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.192 -172.054 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 186' ' ' SER . . . . . . . . . . . . . 69.6 m -104.71 9.74 34.96 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.211 -174.174 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 187' ' ' HIS . . . . . . . . . . . . . 97.4 m-70 -79.23 118.99 21.68 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.224 177.839 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 188' ' ' ASN . . . . . 0.475 ' HB2' ' HD3' ' A' ' 189' ' ' PRO . 99.6 m-20 -62.45 -49.4 83.77 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.18 -168.653 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 189' ' ' PRO . . . . . 0.475 ' HD3' ' HB2' ' A' ' 188' ' ' ASN . 74.9 Cg_endo -79.26 -13.52 13.73 Favored 'Trans proline' 0 N--CA 1.458 -0.579 0 C-N-CA 121.697 1.598 . . . . 0.0 111.206 -173.371 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 190' ' ' SER . . . . . . . . . . . . . 46.6 t -65.01 -59.89 3.65 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.207 -178.249 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 191' ' ' PHE . . . . . . . . . . . . . 35.6 p90 -79.14 -18.8 52.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.211 -177.153 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 192' ' ' GLU . . . . . . . . . . . . . 87.4 tt0 -56.42 -52.08 65.99 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.243 174.151 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 193' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -85.66 -38.72 18.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.257 -179.608 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 194' ' ' LEU . . . . . . . . . . . . . 61.8 tp -63.27 -57.84 9.11 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.18 -175.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 195' ' ' LEU . . . . . . . . . . . . . 92.4 mt -99.42 -45.91 5.67 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.181 -166.479 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 196' ' ' VAL . . . . . . . . . . . . . 78.3 t -77.86 -53.98 13.29 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.186 -172.721 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 197' ' ' GLU . . . . . . . . . . . . . 41.3 tt0 -70.02 -66.15 0.63 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.202 -178.33 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 198' ' ' THR . . . . . . . . . . . . . 77.1 m -60.2 -52.48 65.12 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.149 -170.312 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 199' ' ' ILE . . . . . . . . . . . . . 94.4 mt -89.64 -64.04 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.139 -168.34 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 200' ' ' TYR . . . . . . . . . . . . . 80.3 t80 -62.5 -54.77 35.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.22 -172.073 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 201' ' ' SER . . . . . . . . . . . . . 39.5 t . . . . . 0 C--O 1.2 -1.524 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.2 -179.485 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.559 0 N-CA-C 111.221 -0.752 . . . . 0.0 111.221 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 97.3 mt -68.15 -48.19 75.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.833 0.349 . . . . 0.0 111.25 -179.492 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 97.2 mt -70.0 -45.03 77.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.254 178.786 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 83.5 tt0 -144.98 120.35 10.27 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.175 179.518 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 95.3 mt-10 -84.92 126.66 33.68 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.248 177.019 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.437 ' HB2' ' HA ' ' A' ' 39' ' ' PHE . 75.0 mmtt -90.14 135.58 33.57 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.19 173.407 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -124.46 134.55 53.02 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.155 -168.449 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 82.0 mt -86.24 144.84 27.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.167 167.138 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 83.9 t80 -114.79 96.22 5.62 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.198 174.387 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 96.4 t -97.61 121.21 47.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.188 -178.064 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 97.2 m -109.3 121.62 45.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.199 170.461 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 80.1 m -103.08 127.62 50.27 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.231 -179.034 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -72.74 162.83 54.8 Favored Glycine 0 CA--C 1.523 0.584 0 N-CA-C 111.19 -0.764 . . . . 0.0 111.19 177.849 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -95.2 -2.84 48.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.789 0.328 . . . . 0.0 111.199 -178.207 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 90.2 m -57.86 -40.4 80.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.156 179.5 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.409 ' HB ' ' HD2' ' A' ' 17' ' ' PRO . 34.7 m -121.99 163.38 31.85 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.209 177.462 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.409 ' HD2' ' HB ' ' A' ' 16' ' ' VAL . 80.1 Cg_exo -52.58 139.19 57.57 Favored 'Trans proline' 0 N--CA 1.458 -0.584 0 C-N-CA 121.706 1.604 . . . . 0.0 111.2 -179.62 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . 0.591 ' N ' ' CD ' ' A' ' 19' ' ' PRO . 46.1 m-85 -72.76 -38.75 5.11 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.219 -179.512 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.591 ' CD ' ' N ' ' A' ' 18' ' ' PHE . 83.4 Cg_exo -51.25 -34.48 49.3 Favored 'Trans proline' 0 N--CA 1.458 -0.578 0 C-N-CA 121.682 1.588 . . . . 0.0 111.166 176.621 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 95.1 mttt -69.53 -32.52 71.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.22 176.769 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.409 HD22 ' HB3' ' A' ' 116' ' ' HIS . 88.5 mt -88.57 -4.9 58.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.209 -171.655 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 33.9 m -115.01 -2.79 10.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.199 176.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 79.0 p -72.78 -17.19 61.61 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.227 176.04 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 71.6 m -86.32 -18.17 32.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.181 -177.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 33.3 m -107.24 -1.73 9.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.224 -175.24 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 96.6 mt -112.4 15.18 20.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.213 -179.655 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 60.3 p -78.24 154.94 30.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.242 173.877 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -65.89 -36.48 83.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.22 179.072 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -70.45 -40.24 73.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.224 -179.446 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.402 ' CE2' HD22 ' A' ' 34' ' ' LEU . 67.9 t80 -62.78 -51.66 66.23 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.163 177.944 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 86.1 m -64.98 -32.41 74.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.208 -174.929 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 29.0 tt0 -71.51 -60.06 2.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.191 176.497 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 70.9 mm-40 -63.71 -32.89 74.52 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.202 -172.713 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.402 HD22 ' CE2' ' A' ' 30' ' ' PHE . 54.0 tp -57.86 -47.86 81.5 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.144 -179.458 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 91.0 mt -64.72 -32.61 58.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.17 177.36 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 99.7 mm-40 -68.74 -18.86 64.3 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.187 174.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 18.1 m-30 -88.7 -7.2 56.73 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.211 176.03 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 100.52 1.41 55.48 Favored Glycine 0 CA--C 1.523 0.56 0 N-CA-C 111.252 -0.739 . . . . 0.0 111.252 177.578 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.437 ' HA ' ' HB2' ' A' ' 6' ' ' LYS . 62.8 m-85 -97.5 128.11 44.0 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.766 0.317 . . . . 0.0 111.197 -177.366 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 27.5 m -131.85 -2.88 1.91 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.208 -173.727 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 28.2 ttm180 -124.94 139.97 53.35 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.183 177.639 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 57.8 tp -133.44 115.4 14.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.248 -179.807 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.429 HG23 ' CD1' ' A' ' 96' ' ' PHE . 98.2 mt -104.95 118.56 52.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.203 178.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 79.6 mt -118.56 115.94 49.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.178 -176.823 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 55.9 tp60 -78.41 129.73 35.28 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.243 173.828 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 77.6 m-85 -113.9 158.88 20.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.235 177.575 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -77.19 -62.12 2.51 Favored Glycine 0 CA--C 1.523 0.564 0 N-CA-C 111.199 -0.76 . . . . 0.0 111.199 -176.733 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 66.6 ttt180 -159.91 127.59 4.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.749 0.309 . . . . 0.0 111.208 -176.772 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 61.4 t30 61.02 57.43 2.53 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.185 171.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 87.5 m-85 -129.33 -36.69 1.69 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.202 173.501 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . 0.443 ' O ' ' HB2' ' A' ' 82' ' ' ARG . 52.1 p -85.08 5.73 28.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.156 -179.714 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 69.5 m -55.78 -52.51 63.71 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.201 169.553 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 25.5 pt-20 -166.42 154.22 10.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.207 173.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 71.3 m-85 -122.78 25.02 8.87 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.223 174.904 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 25.3 tp10 -42.2 -45.15 4.0 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.174 -174.81 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 82.7 t60 -56.36 -55.08 37.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.183 178.924 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 97.1 mt -63.11 -33.02 74.55 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.201 -177.402 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.463 HG21 ' HB2' ' A' ' 65' ' ' ARG . 73.5 t -67.99 -36.99 77.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.239 -176.787 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 85.1 mt-30 -75.22 -18.64 60.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.234 179.522 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 76.3 mm-40 -80.07 -5.23 55.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.185 179.717 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 89.4 mmt-85 -125.15 -28.64 3.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.214 175.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 85.14 38.24 9.32 Favored Glycine 0 CA--C 1.523 0.562 0 N-CA-C 111.19 -0.764 . . . . 0.0 111.19 -173.753 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -95.31 -155.72 31.46 Favored Glycine 0 CA--C 1.524 0.608 0 N-CA-C 111.162 -0.775 . . . . 0.0 111.162 -175.176 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 62.9 tt0 -130.48 141.44 50.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.808 0.337 . . . . 0.0 111.157 -179.213 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.463 ' HB2' HG21 ' A' ' 58' ' ' VAL . 69.2 ttp85 -119.93 121.92 40.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.157 -173.392 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 78.0 mm-40 -135.73 168.18 19.77 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.227 -175.823 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 70.1 m -97.74 136.93 37.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.183 -177.798 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 80.5 mm-40 -120.01 103.62 9.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.192 168.79 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 93.9 mttt -99.98 80.39 2.3 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.179 177.353 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 73.4 mt -99.07 126.64 37.44 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.218 -174.768 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 79.2 Cg_exo -50.81 128.31 23.92 Favored 'Trans proline' 0 N--CA 1.458 -0.614 0 C-N-CA 121.679 1.586 . . . . 0.0 111.204 178.299 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 96.8 mt -78.21 -44.01 27.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.165 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 99.2 m-20 -75.79 -10.47 59.45 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.162 -171.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 63.2 tt0 -105.01 -49.96 3.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.207 -178.522 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 91.0 m-85 -103.33 -17.76 15.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.238 -173.402 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 79.7 18.93 71.95 Favored Glycine 0 CA--C 1.523 0.535 0 N-CA-C 111.193 -0.763 . . . . 0.0 111.193 -178.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 73.9 m -118.69 152.69 35.65 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.767 0.317 . . . . 0.0 111.238 -179.673 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -63.87 142.35 46.38 Favored Glycine 0 CA--C 1.523 0.59 0 N-CA-C 111.199 -0.76 . . . . 0.0 111.199 -172.926 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 56.5 p-10 -93.25 6.74 47.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.763 0.316 . . . . 0.0 111.206 177.449 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 54.3 p -124.97 41.74 3.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.212 174.739 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -86.5 145.53 26.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.184 -171.256 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . 0.443 ' HB2' ' O ' ' A' ' 51' ' ' SER . 20.2 tpp180 -110.03 115.27 29.47 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.221 -176.613 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 64.7 tt0 -83.02 118.32 23.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.166 -176.738 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -110.02 99.45 8.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.161 177.55 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 91.4 t -77.08 124.0 34.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.186 -175.26 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 83.8 mt -125.79 161.61 26.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.168 178.494 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 92.8 mmm 66.01 30.02 9.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.231 173.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 96.5 m-20 65.08 35.6 7.88 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.21 176.27 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 88.37 29.14 20.38 Favored Glycine 0 CA--C 1.524 0.601 0 N-CA-C 111.206 -0.758 . . . . 0.0 111.206 176.206 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -115.53 -20.25 10.28 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.785 0.326 . . . . 0.0 111.233 179.53 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.415 ' HG ' HG23 ' A' ' 93' ' ' VAL . 64.6 tp -121.72 120.08 33.61 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.183 177.601 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 97.1 mttt -101.78 91.68 4.5 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.173 -178.056 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . 0.415 HG23 ' HG ' ' A' ' 91' ' ' LEU . 84.3 t -95.54 105.89 17.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.207 176.032 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 67.6 mt -115.03 122.98 70.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.206 -175.148 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -85.44 133.26 11.66 Favored Glycine 0 CA--C 1.524 0.597 0 N-CA-C 111.194 -0.762 . . . . 0.0 111.194 179.865 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' PHE . . . . . 0.429 ' CD1' HG23 ' A' ' 43' ' ' ILE . 96.8 m-85 -122.44 101.61 7.6 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.776 0.322 . . . . 0.0 111.2 -178.824 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 28.5 t70 -97.73 92.05 5.68 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.202 168.34 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 12.6 p90 -152.02 179.92 8.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.211 -179.824 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 82.1 p -61.23 -176.87 0.08 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.177 -176.055 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 47.0 p -91.52 35.39 0.95 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.203 -173.655 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 75.5 mmtt -80.68 8.2 8.53 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.172 169.295 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 25.9 ptt? -66.56 -10.06 41.43 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.171 174.666 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 88.5 mt-30 -59.93 -22.53 62.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.225 174.332 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 71.4 m -76.87 -37.05 56.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.24 171.918 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 96.6 mt -66.89 -43.09 89.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.187 -177.839 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 17.7 tt -64.73 -18.02 22.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.205 -173.199 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 79.3 ttt180 -98.7 -40.08 8.35 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.218 176.648 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 96.3 m-20 -87.65 -54.12 4.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.212 -167.854 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' TYR . . . . . . . . . . . . . 90.9 m-85 -95.59 -36.15 11.36 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.214 -171.117 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 47.3 t -60.43 129.02 39.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.173 -176.377 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 53.3 m-20 -105.56 -30.53 9.46 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.234 169.46 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 10.0 tt -139.05 132.12 29.62 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.196 168.389 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 90.8 t -91.96 139.06 18.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.189 -174.323 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 69.4 mt -131.81 134.29 60.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.221 179.352 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 32.3 t -122.24 113.38 19.38 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.223 -178.296 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 116' ' ' HIS . . . . . 0.409 ' HB3' HD22 ' A' ' 21' ' ' LEU . 36.1 m170 -100.07 127.44 46.3 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.2 177.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . 59.36 53.04 5.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.19 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 170.13 157.99 13.29 Favored Glycine 0 CA--C 1.523 0.546 0 N-CA-C 111.169 -0.772 . . . . 0.0 111.169 175.113 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 72.3 p -128.04 1.2 5.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.766 0.317 . . . . 0.0 111.143 -176.686 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -68.97 -17.61 71.81 Favored Glycine 0 CA--C 1.523 0.564 0 N-CA-C 111.212 -0.755 . . . . 0.0 111.212 -178.456 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 60.2 m -65.25 -23.08 66.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.821 0.343 . . . . 0.0 111.203 179.751 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 122' ' ' ILE . . . . . . . . . . . . . 96.6 mt -51.96 -38.6 23.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.192 178.649 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . 0.419 HD23 HD23 ' A' ' 195' ' ' LEU . 93.8 mt -65.16 -32.27 73.88 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.196 -177.319 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 52.6 m-20 -97.27 -34.67 11.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.213 -168.38 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 32.9 t -69.45 -41.68 75.92 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.231 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 39.7 mt -80.81 -26.91 36.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.232 -170.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 52.9 ptt85 -74.8 -11.72 60.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.183 174.312 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . 0.427 ' O ' ' HB2' ' A' ' 129' ' ' ASN . 95.2 mt -95.25 -3.75 47.0 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.232 170.039 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 129' ' ' ASN . . . . . 0.427 ' HB2' ' O ' ' A' ' 128' ' ' LEU . 88.9 m-20 64.74 34.66 9.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.241 -174.307 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 95.8 mttt -116.43 148.14 41.11 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.207 -177.922 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 46.6 Cg_endo -69.05 147.48 67.57 Favored 'Trans proline' 0 N--CA 1.459 -0.542 0 C-N-CA 121.688 1.592 . . . . 0.0 111.187 -179.29 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 132' ' ' LEU . . . . . 0.423 ' HB3' HG22 ' A' ' 158' ' ' VAL . 43.4 tp -128.25 128.38 44.56 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.169 178.891 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 89.9 mt -107.87 122.85 62.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.193 169.89 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 89.5 t -109.14 128.07 65.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.171 -177.28 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 135' ' ' CYS . . . . . . . . . . . . . 53.4 t -105.09 122.9 46.85 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.211 -179.013 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 69.9 t -66.94 130.68 32.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.17 179.526 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 46.0 p-10 -90.38 -174.9 4.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.154 177.646 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 96.7 m-20 -70.92 -34.94 72.02 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.21 -179.366 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 60.6 p -74.44 -22.67 59.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.212 -172.226 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 58.9 tp -91.73 123.65 35.27 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.175 -176.751 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 141' ' ' MET . . . . . . . . . . . . . 99.1 mmm -91.69 50.12 1.66 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.229 178.589 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 70.6 m-20 56.5 32.25 20.44 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.24 178.175 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 98.9 m-20 -76.89 -40.35 47.73 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.181 179.684 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 144' ' ' HIS . . . . . . . . . . . . . 96.4 m-70 -94.38 -14.62 25.12 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.204 176.344 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 145' ' ' GLN . . . . . . . . . . . . . 14.3 tm0? -64.2 -49.56 71.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.187 177.304 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 146' ' ' GLN . . . . . . . . . . . . . 72.0 tp60 -66.82 -39.61 87.75 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.213 178.52 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 147' ' ' GLN . . . . . . . . . . . . . 7.3 tp60 -55.55 -52.66 62.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.18 176.463 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 148' ' ' ILE . . . . . . . . . . . . . 87.4 mt -59.37 -43.99 91.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.168 177.641 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -62.29 -34.99 77.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.21 -179.634 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 93.6 m-20 -69.95 -40.26 75.57 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.213 -176.446 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 151' ' ' LYS . . . . . . . . . . . . . 75.9 mmtt -115.01 -59.96 1.95 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.24 -169.453 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 152' ' ' PHE . . . . . 0.47 ' HB3' ' HB ' ' A' ' 158' ' ' VAL . 37.9 m-85 -74.99 -31.18 61.37 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.202 -163.386 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 153' ' ' VAL . . . . . . . . . . . . . 55.0 t -70.1 -39.96 77.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.182 175.04 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -69.85 -31.0 68.62 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.158 176.311 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 155' ' ' LEU . . . . . . . . . . . . . 96.0 mt -79.49 -28.69 41.45 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.236 174.538 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . 80.82 46.54 7.14 Favored Glycine 0 CA--C 1.523 0.584 0 N-CA-C 111.199 -0.76 . . . . 0.0 111.199 174.241 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 157' ' ' TYR . . . . . . . . . . . . . 81.4 m-85 -125.47 -44.95 1.82 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.814 0.34 . . . . 0.0 111.203 177.045 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 158' ' ' VAL . . . . . 0.47 ' HB ' ' HB3' ' A' ' 152' ' ' PHE . 48.1 t -125.06 129.2 73.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.206 178.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 159' ' ' TRP . . . . . . . . . . . . . 25.9 m-90 -119.97 129.93 54.53 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.224 -178.15 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 160' ' ' SER . . . . . . . . . . . . . 97.4 p -86.94 151.12 23.58 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.216 -179.656 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 161' ' ' CYS . . . . . 0.402 ' SG ' ' HA3' ' A' ' 171' ' ' GLY . 92.1 m -129.99 147.98 51.8 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.206 175.922 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -65.7 158.29 75.23 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.238 177.832 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 163' ' ' PRO . . . . . . . . . . . . . 93.2 Cg_endo -74.96 65.77 6.01 Favored 'Trans proline' 0 N--CA 1.458 -0.608 0 C-N-CA 121.709 1.606 . . . . 0.0 111.23 179.246 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 164' ' ' THR . . . . . . . . . . . . . 13.1 t -160.29 -179.3 7.6 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.238 178.048 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 165' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 -73.74 -40.69 63.33 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.21 -172.868 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 166' ' ' THR . . . . . . . . . . . . . 81.4 p -81.39 -15.03 56.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.185 -173.818 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 167' ' ' GLY . . . . . . . . . . . . . . . -66.92 -47.92 63.47 Favored Glycine 0 CA--C 1.524 0.601 0 N-CA-C 111.153 -0.779 . . . . 0.0 111.153 177.536 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 168' ' ' LEU . . . . . . . . . . . . . 59.7 tp -64.32 -39.88 94.79 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.785 0.326 . . . . 0.0 111.155 176.857 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 96.0 mt -61.28 -43.83 97.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.255 177.744 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 170' ' ' ALA . . . . . . . . . . . . . . . -65.51 -33.01 74.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.222 175.304 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 171' ' ' GLY . . . . . 0.402 ' HA3' ' SG ' ' A' ' 161' ' ' CYS . . . -62.39 -37.04 93.98 Favored Glycine 0 CA--C 1.523 0.564 0 N-CA-C 111.223 -0.751 . . . . 0.0 111.223 178.641 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 83.1 mt -61.05 -35.04 75.86 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.78 0.324 . . . . 0.0 111.166 177.316 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 173' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -77.38 -32.82 55.15 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.207 174.533 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -64.96 -31.18 72.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.17 -179.224 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 54.0 p -64.28 -20.82 66.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.176 179.508 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 176' ' ' GLN . . . . . . . . . . . . . 92.7 mm-40 -100.96 6.26 43.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.219 -176.626 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 177' ' ' THR . . . . . . . . . . . . . 89.4 m -70.59 -45.45 65.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.248 -179.038 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 178' ' ' GLU . . . . . . . . . . . . . 94.3 mt-10 -123.97 149.95 45.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.19 -178.531 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 179' ' ' LYS . . . . . . . . . . . . . 87.4 tttt -76.4 110.05 10.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.191 -179.422 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 180' ' ' LEU . . . . . 0.472 ' C ' HD23 ' A' ' 180' ' ' LEU . 7.1 tt -78.49 102.04 7.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.183 179.894 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 181' ' ' LYS . . . . . 0.419 ' HA ' ' HD3' ' A' ' 182' ' ' PRO . 99.5 mttt -93.67 149.15 36.67 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.205 178.892 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 182' ' ' PRO . . . . . 0.419 ' HD3' ' HA ' ' A' ' 181' ' ' LYS . 56.3 Cg_exo -56.84 148.89 63.89 Favored 'Trans proline' 0 N--CA 1.458 -0.56 0 C-N-CA 121.736 1.624 . . . . 0.0 111.154 -178.377 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 183' ' ' PHE . . . . . . . . . . . . . 53.0 m-85 -74.69 149.71 86.1 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.233 177.538 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 184' ' ' PRO . . . . . . . . . . . . . 60.6 Cg_endo -74.04 -17.95 21.73 Favored 'Trans proline' 0 N--CA 1.459 -0.553 0 C-N-CA 121.694 1.596 . . . . 0.0 111.215 -177.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 185' ' ' VAL . . . . . . . . . . . . . 59.8 t -91.38 116.27 32.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.195 -177.029 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 186' ' ' SER . . . . . . . . . . . . . 95.2 p -87.71 -15.45 37.05 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.199 -177.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 187' ' ' HIS . . . . . . . . . . . . . 96.9 m-70 -90.88 120.09 31.62 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.211 -179.233 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 188' ' ' ASN . . . . . 0.594 ' HB2' ' HD3' ' A' ' 189' ' ' PRO . 98.8 m-20 -69.81 -46.24 24.25 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.179 -177.543 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 189' ' ' PRO . . . . . 0.594 ' HD3' ' HB2' ' A' ' 188' ' ' ASN . 67.4 Cg_exo -56.52 -40.16 86.41 Favored 'Trans proline' 0 N--CA 1.458 -0.584 0 C-N-CA 121.684 1.589 . . . . 0.0 111.255 -179.45 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 190' ' ' SER . . . . . . . . . . . . . 71.1 m -79.47 -39.91 31.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.184 -179.19 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 191' ' ' PHE . . . . . . . . . . . . . 66.0 t80 -59.93 -43.49 94.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.144 -179.58 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 192' ' ' GLU . . . . . . . . . . . . . 95.4 mt-10 -59.93 -39.2 84.7 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.253 179.876 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 193' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -70.37 -30.05 66.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.149 178.617 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 194' ' ' LEU . . . . . . . . . . . . . 96.0 mt -82.04 -24.03 35.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.155 175.913 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 195' ' ' LEU . . . . . 0.419 HD23 HD23 ' A' ' 123' ' ' LEU . 41.8 tp -79.94 -39.97 29.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.19 -174.64 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 196' ' ' VAL . . . . . . . . . . . . . 23.2 m -63.01 -19.68 24.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.235 -179.902 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 197' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -67.26 -28.22 67.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.215 175.167 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 198' ' ' THR . . . . . . . . . . . . . 63.1 p -98.51 -24.58 15.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.25 179.59 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 199' ' ' ILE . . . . . . . . . . . . . 96.9 mt -68.63 -44.79 82.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.208 174.467 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 200' ' ' TYR . . . . . . . . . . . . . 68.0 m-85 -106.56 23.31 14.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.196 -177.715 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 201' ' ' SER . . . . . . . . . . . . . 42.7 t . . . . . 0 C--O 1.199 -1.567 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.218 177.49 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.539 0 N-CA-C 111.143 -0.783 . . . . 0.0 111.143 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 97.2 mt -69.29 -46.98 76.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.831 0.348 . . . . 0.0 111.279 -179.672 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 97.2 mt -70.04 -45.98 74.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.187 179.265 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -151.02 133.57 15.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.202 179.354 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -94.95 88.01 5.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.216 178.189 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 91.4 mttt -83.05 156.09 23.54 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.232 -176.897 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.434 ' HB3' ' HA ' ' A' ' 110' ' ' SER . . . -143.96 131.73 21.38 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.193 -172.715 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 91.4 mt -94.77 147.86 22.89 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.195 177.376 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 40.0 t80 -123.04 118.1 26.98 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.129 168.338 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 94.2 t -110.08 125.2 67.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.256 -168.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 96.9 m -125.01 117.25 23.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.189 171.571 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 72.4 m -82.78 168.68 16.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.244 -175.144 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -120.92 -160.39 11.07 Favored Glycine 0 CA--C 1.522 0.516 0 N-CA-C 111.2 -0.76 . . . . 0.0 111.2 -176.78 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -90.26 -48.14 7.34 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.745 0.307 . . . . 0.0 111.151 -176.506 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 80.0 m -69.88 -40.41 75.7 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.217 178.909 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 42.7 t -121.76 83.03 42.27 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.253 172.419 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.47 ' HG2' ' HD2' ' A' ' 19' ' ' PRO . 91.1 Cg_endo -81.04 -132.27 0.01 OUTLIER 'Trans proline' 0 N--CA 1.458 -0.587 0 C-N-CA 121.707 1.605 . . . . 0.0 111.16 -176.904 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . 0.572 ' HB2' ' HD3' ' A' ' 19' ' ' PRO . 93.6 m-85 -96.27 -45.9 0.25 Allowed Pre-proline 0 C--N 1.328 -0.329 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.195 -164.366 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.572 ' HD3' ' HB2' ' A' ' 18' ' ' PHE . 83.0 Cg_exo -50.22 -27.9 18.76 Favored 'Trans proline' 0 N--CA 1.458 -0.608 0 C-N-CA 121.699 1.599 . . . . 0.0 111.221 175.628 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 90.9 mttt -95.01 -60.02 1.77 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.221 178.846 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 25.3 tp -70.78 -37.24 73.31 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.214 -166.643 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 76.2 t -71.88 -38.94 66.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.267 -178.837 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 94.9 p -68.45 -23.02 64.56 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.213 178.613 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 99.4 m -86.88 -39.49 15.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.197 177.626 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -74.62 -20.07 16.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.203 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 89.0 mt -108.38 20.82 18.14 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.221 174.861 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 58.8 p -75.08 159.97 31.05 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.212 177.345 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 99.4 m-20 -65.11 -41.54 94.83 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.229 177.818 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 87.9 tt0 -68.51 -44.66 74.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.188 -177.625 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 68.5 t80 -61.82 -51.01 69.99 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.234 179.693 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 80.7 m -68.73 -29.24 67.62 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.205 -176.065 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 66.9 tt0 -54.61 -45.42 73.65 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.154 177.901 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 94.0 mt-10 -88.22 -27.89 21.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.215 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 42.4 tp -48.88 -48.79 41.89 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.187 177.883 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 8.3 tp -69.26 -20.05 24.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.216 179.838 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 65.2 mt-30 -90.29 -4.99 56.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.185 178.512 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 38.4 m-85 -99.67 -4.31 31.13 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.19 171.539 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 97.76 11.88 48.96 Favored Glycine 0 CA--C 1.523 0.592 0 N-CA-C 111.15 -0.78 . . . . 0.0 111.15 172.719 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 74.6 m-85 -93.16 125.84 37.96 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.82 0.343 . . . . 0.0 111.249 -177.763 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 35.8 m -125.13 -11.66 5.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.174 -175.148 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 82.4 mtt85 -122.97 142.46 50.81 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.201 177.596 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 61.9 tp -141.19 114.91 8.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.234 178.904 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 90.5 mt -103.8 125.02 58.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.248 -177.121 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 41.4 mm -110.61 116.91 53.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.222 -177.068 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 50.9 tt0 -91.73 102.06 14.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.274 179.536 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . 0.459 ' HA ' ' CE2' ' A' ' 18' ' ' PHE . 78.1 m-85 -84.22 148.8 26.53 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.173 178.112 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -84.84 -165.07 39.36 Favored Glycine 0 CA--C 1.524 0.61 0 N-CA-C 111.156 -0.778 . . . . 0.0 111.156 -174.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -79.06 -20.95 47.56 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.739 0.304 . . . . 0.0 111.206 -176.845 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 73.3 m-80 -102.1 8.41 40.77 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.203 179.106 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 97.0 m-85 -129.04 141.39 51.25 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.204 -177.801 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 84.8 p -109.42 163.68 13.19 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.187 179.518 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 19.5 p -85.08 62.0 7.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.137 179.514 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 53.1 mt-10 -112.57 118.93 36.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.193 -179.371 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 93.6 m-85 -109.95 15.22 22.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.163 177.578 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -60.41 -30.03 69.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.248 -176.236 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 86.4 t60 -61.41 -40.52 94.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.16 175.719 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 93.6 mt -88.04 -7.78 56.52 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.224 -172.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 55.8 t -60.61 -30.09 46.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.16 171.886 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 98.7 mm-40 -106.58 -30.0 9.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.193 178.335 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 75.1 mm-40 -89.13 -9.76 49.79 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.151 -175.03 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 90.7 mmt-85 -128.29 -42.47 1.51 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.215 173.375 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 109.23 19.33 8.53 Favored Glycine 0 CA--C 1.523 0.56 0 N-CA-C 111.208 -0.757 . . . . 0.0 111.208 173.196 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -87.86 174.35 44.22 Favored Glycine 0 CA--C 1.523 0.533 0 N-CA-C 111.234 -0.746 . . . . 0.0 111.234 -179.113 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 96.3 mm-40 -110.05 159.94 16.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.831 0.348 . . . . 0.0 111.217 175.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 79.0 ttt-85 -135.42 125.22 25.5 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.21 -174.422 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -146.67 139.86 25.55 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.218 176.515 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 95.6 p -74.66 159.01 32.63 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.24 -172.194 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 54.1 mm-40 -140.02 121.6 15.22 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.185 177.339 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -107.7 99.0 8.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.205 174.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.402 ' HB ' ' HB3' ' A' ' 77' ' ' CYS . 80.3 mt -114.83 134.31 22.46 Favored Pre-proline 0 C--N 1.328 -0.363 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.221 -164.627 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 56.8 Cg_endo -72.81 167.64 26.7 Favored 'Trans proline' 0 N--CA 1.458 -0.603 0 C-N-CA 121.719 1.612 . . . . 0.0 111.248 -176.366 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 50.9 pt -102.92 -7.19 9.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.16 178.627 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 67.4 m-20 -95.06 -29.46 14.58 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.142 -177.038 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 99.6 mm-40 -100.67 -30.03 11.97 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.199 -177.702 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 82.4 m-85 -124.87 -58.95 1.45 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.161 -176.403 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 113.03 42.59 0.91 Allowed Glycine 0 CA--C 1.524 0.649 0 N-CA-C 111.151 -0.78 . . . . 0.0 111.151 -179.088 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' CYS . . . . . 0.402 ' HB3' ' HB ' ' A' ' 70' ' ' ILE . 10.9 t -136.16 179.98 6.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.771 0.319 . . . . 0.0 111.194 -177.057 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -110.19 -159.85 17.6 Favored Glycine 0 CA--C 1.523 0.552 0 N-CA-C 111.202 -0.759 . . . . 0.0 111.202 -172.804 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 58.9 p-10 -114.13 5.36 15.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.814 0.34 . . . . 0.0 111.241 -178.859 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 59.7 p -93.89 -2.38 53.44 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.111 172.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -58.66 129.45 42.14 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.265 177.27 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 90.0 mmt-85 -128.79 120.72 26.88 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.181 176.914 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 67.0 tt0 -81.51 126.91 32.25 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.241 -176.467 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . 0.433 ' HB3' ' HB ' ' A' ' 93' ' ' VAL . 68.9 t80 -125.63 128.71 48.3 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.178 177.04 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 84.3 t -98.55 123.44 51.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.219 -166.68 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 93.4 mt -130.0 162.81 27.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.291 170.618 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 88.3 mmm 61.58 30.01 18.49 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.177 176.202 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 96.5 m-20 65.05 34.41 8.82 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.143 177.222 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 95.36 -3.46 66.21 Favored Glycine 0 CA--C 1.522 0.517 0 N-CA-C 111.183 -0.767 . . . . 0.0 111.183 175.781 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -80.79 -20.82 41.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.767 0.318 . . . . 0.0 111.228 -179.477 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 63.5 tp -116.91 109.94 17.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.208 173.659 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -93.42 109.95 21.51 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.229 177.186 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . 0.433 ' HB ' ' HB3' ' A' ' 84' ' ' TYR . 62.2 t -99.65 119.11 47.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.223 -179.715 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 75.3 mt -112.51 105.98 19.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.168 -178.557 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -93.91 142.49 16.03 Favored Glycine 0 CA--C 1.523 0.559 0 N-CA-C 111.164 -0.774 . . . . 0.0 111.164 175.658 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 27.5 p90 -148.37 161.55 41.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.854 0.359 . . . . 0.0 111.211 178.738 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . 0.649 ' O ' ' C ' ' A' ' 98' ' ' PHE . 64.9 t0 -100.04 106.3 18.04 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.263 -179.89 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . 0.649 ' C ' ' O ' ' A' ' 97' ' ' ASP . 82.9 t80 -5.09 99.17 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.149 -175.421 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 66.4 m -120.72 148.45 43.93 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.148 177.144 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 81.0 p -82.95 -18.8 38.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.157 171.638 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -71.05 -39.88 71.99 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.204 174.186 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 25.9 ttt -90.02 83.84 6.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.214 176.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 87.5 mm-40 -134.45 -35.04 0.92 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.239 175.749 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 47.5 t -70.1 -49.37 51.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.169 -178.913 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 16.9 tt -60.61 -27.22 40.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.228 -176.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 96.7 mt -71.19 -49.71 46.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.157 176.041 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . 0.419 ' HG2' ' HG ' ' A' ' 128' ' ' LEU . 96.6 mtt180 -64.97 -29.94 70.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.185 175.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 99.4 m-20 -75.76 -37.13 59.57 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.151 -175.013 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' TYR . . . . . . . . . . . . . 14.2 m-30 -100.0 -50.04 4.12 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.177 -172.533 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . 0.434 ' HA ' ' HB3' ' A' ' 7' ' ' ALA . 48.2 t -64.99 134.26 53.51 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.224 -171.541 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 54.3 p-10 -130.0 0.98 4.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.128 178.171 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 67.4 tp -147.29 124.95 11.78 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.179 167.719 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 58.2 t -104.61 132.27 51.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.225 -173.427 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 114' ' ' ILE . . . . . 0.439 HG12 ' HB ' ' A' ' 133' ' ' ILE . 82.1 mt -120.77 128.73 76.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.194 176.812 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 91.3 p -143.97 155.0 43.87 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.175 -178.256 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 84.0 t60 -83.76 147.53 27.55 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.158 169.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -69.86 84.93 0.49 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.236 -177.318 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -133.36 173.18 21.22 Favored Glycine 0 CA--C 1.523 0.539 0 N-CA-C 111.271 -0.732 . . . . 0.0 111.271 174.648 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 96.8 m -62.97 -57.73 9.75 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.727 0.299 . . . . 0.0 111.223 -177.071 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -85.03 -25.02 42.2 Favored Glycine 0 CA--C 1.523 0.56 0 N-CA-C 111.207 -0.757 . . . . 0.0 111.207 -178.773 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 73.2 m -64.91 -49.57 69.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.769 0.319 . . . . 0.0 111.15 -178.285 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 122' ' ' ILE . . . . . . . . . . . . . 94.7 mt -64.75 -45.83 93.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.212 176.094 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 36.2 tp -61.54 -38.09 86.17 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.244 -175.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 93.6 m-20 -70.16 -34.99 73.71 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.191 177.381 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 97.4 p -76.86 -13.66 59.97 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.198 178.11 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 91.5 mt -92.14 10.02 31.09 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.192 173.928 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 76.1 mtp85 -74.38 -14.76 60.91 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.155 171.078 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . 0.419 ' HG ' ' HG2' ' A' ' 107' ' ' ARG . 8.3 mp -108.42 155.11 20.94 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.192 172.82 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 11.4 m120 -93.57 8.06 42.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.177 177.231 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 30.2 mmtp -80.96 152.28 71.46 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.212 -178.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_exo -50.6 148.1 16.22 Favored 'Trans proline' 0 N--CA 1.459 -0.55 0 C-N-CA 121.731 1.621 . . . . 0.0 111.164 178.461 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 132' ' ' LEU . . . . . 0.474 ' O ' ' HA ' ' A' ' 158' ' ' VAL . 56.7 tp -125.04 125.58 44.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.233 -166.47 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 133' ' ' ILE . . . . . 0.439 ' HB ' HG12 ' A' ' 114' ' ' ILE . 91.7 mt -95.3 124.52 47.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.18 166.815 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 89.5 t -115.49 120.59 65.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.234 -179.762 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 135' ' ' CYS . . . . . 0.535 ' SG ' ' HA ' ' A' ' 163' ' ' PRO . 46.6 t -87.24 110.72 20.38 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.174 171.508 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 27.5 m -63.37 159.76 3.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.144 -168.052 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 137' ' ' ASN . . . . . 0.506 ' HB3' ' HG ' ' A' ' 140' ' ' LEU . 3.0 t-20 -94.97 172.8 7.93 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.16 -175.605 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 67.2 m-20 -106.53 -25.22 11.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.156 174.847 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 86.6 p -75.6 -15.0 60.4 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.198 178.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 140' ' ' LEU . . . . . 0.506 ' HG ' ' HB3' ' A' ' 137' ' ' ASN . 98.5 mt -66.54 145.01 56.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.181 174.37 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 141' ' ' MET . . . . . . . . . . . . . 66.2 mtt -68.47 159.98 30.64 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.213 176.382 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -53.32 -38.82 63.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.167 176.117 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 99.4 m-20 -68.43 -39.84 81.39 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.195 176.617 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 144' ' ' HIS . . . . . . . . . . . . . 59.3 m170 -59.56 -46.86 87.67 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.188 178.525 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 145' ' ' GLN . . . . . . . . . . . . . 89.8 mt-30 -66.89 -47.41 71.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.216 -177.795 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 146' ' ' GLN . . . . . . . . . . . . . 72.9 tp60 -65.12 -46.95 78.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.231 -176.482 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 147' ' ' GLN . . . . . . . . . . . . . 99.3 mm-40 -72.3 -40.63 67.37 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.247 -170.788 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 148' ' ' ILE . . . . . . . . . . . . . 6.2 tp -77.61 -30.49 16.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.224 -176.073 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -68.89 -37.2 78.87 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.191 174.269 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 95.5 m-20 -69.93 -31.09 68.66 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.207 175.354 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 151' ' ' LYS . . . . . . . . . . . . . 65.5 mmtt -78.58 -30.08 46.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.198 179.63 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 152' ' ' PHE . . . . . . . . . . . . . 13.4 m-30 -55.83 -43.84 77.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.224 175.481 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 153' ' ' VAL . . . . . . . . . . . . . 96.2 t -88.05 -40.21 13.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.237 -177.35 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 42.8 tt0 -53.94 -46.99 71.7 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.17 176.911 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 155' ' ' LEU . . . . . . . . . . . . . 91.2 mt -65.19 -36.83 85.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.208 173.315 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . 79.73 36.65 25.21 Favored Glycine 0 CA--C 1.523 0.581 0 N-CA-C 111.15 -0.78 . . . . 0.0 111.15 175.319 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 157' ' ' TYR . . . . . . . . . . . . . 22.3 m-85 -126.02 -25.0 3.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.799 0.333 . . . . 0.0 111.215 179.467 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 158' ' ' VAL . . . . . 0.474 ' HA ' ' O ' ' A' ' 132' ' ' LEU . 64.4 t -123.3 140.03 48.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.191 -166.051 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 159' ' ' TRP . . . . . . . . . . . . . 31.3 m-90 -97.69 144.99 26.77 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.205 171.188 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 160' ' ' SER . . . . . . . . . . . . . 41.7 t -105.38 115.33 30.07 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.165 179.56 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 161' ' ' CYS . . . . . . . . . . . . . 71.7 m -117.97 159.22 23.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.151 179.858 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -85.47 155.74 59.53 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.181 -179.648 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 163' ' ' PRO . . . . . 0.535 ' HA ' ' SG ' ' A' ' 135' ' ' CYS . 93.7 Cg_endo -77.73 68.13 7.75 Favored 'Trans proline' 0 N--CA 1.458 -0.6 0 C-N-CA 121.636 1.557 . . . . 0.0 111.248 -179.405 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 164' ' ' THR . . . . . . . . . . . . . 13.6 t -160.56 178.93 9.02 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.199 175.818 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 165' ' ' GLU . . . . . . . . . . . . . 89.2 tt0 -64.97 -43.93 91.0 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.202 -174.652 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 166' ' ' THR . . . . . . . . . . . . . 80.4 p -73.62 -20.07 60.69 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.166 -177.344 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 167' ' ' GLY . . . . . . . . . . . . . . . -71.34 -43.22 55.19 Favored Glycine 0 CA--C 1.523 0.582 0 N-CA-C 111.309 -0.717 . . . . 0.0 111.309 174.854 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 168' ' ' LEU . . . . . . . . . . . . . 69.2 tp -60.38 -46.96 88.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.761 0.315 . . . . 0.0 111.214 172.901 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 97.8 mt -60.78 -39.94 83.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.216 175.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 170' ' ' ALA . . . . . . . . . . . . . . . -71.43 -16.24 62.38 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.218 -178.738 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 171' ' ' GLY . . . . . . . . . . . . . . . -62.33 -47.95 85.9 Favored Glycine 0 CA--C 1.523 0.568 0 N-CA-C 111.231 -0.748 . . . . 0.0 111.231 176.873 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 93.1 mt -70.16 -33.54 71.89 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.777 0.323 . . . . 0.0 111.22 176.456 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 173' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -65.2 -34.45 78.4 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.238 174.051 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -70.84 -41.38 71.57 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.266 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 87.2 p -68.46 -29.87 68.61 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.191 176.355 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 176' ' ' GLN . . . . . . . . . . . . . 71.1 tp60 -71.08 -40.54 71.52 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.168 175.555 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 177' ' ' THR . . . . . . . . . . . . . 89.0 m -70.49 -44.71 67.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.213 179.084 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 178' ' ' GLU . . . . . . . . . . . . . 89.2 tt0 -142.73 109.98 5.65 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.222 -178.047 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 179' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -80.23 140.78 36.1 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.216 179.228 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 180' ' ' LEU . . . . . . . . . . . . . 94.4 mt -116.82 172.12 7.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.23 -177.862 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 181' ' ' LYS . . . . . . . . . . . . . 75.3 mmtt -90.22 158.24 44.08 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.229 -171.706 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 182' ' ' PRO . . . . . . . . . . . . . 86.2 Cg_endo -70.79 166.24 29.53 Favored 'Trans proline' 0 N--CA 1.458 -0.586 0 C-N-CA 121.699 1.599 . . . . 0.0 111.133 172.312 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 183' ' ' PHE . . . . . . . . . . . . . 78.0 m-85 -81.43 125.14 79.52 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.227 -176.41 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 184' ' ' PRO . . . . . . . . . . . . . 93.3 Cg_endo -76.32 -15.01 18.15 Favored 'Trans proline' 0 N--CA 1.458 -0.567 0 C-N-CA 121.603 1.535 . . . . 0.0 111.219 176.826 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 185' ' ' VAL . . . . . . . . . . . . . 95.7 t -69.93 127.68 32.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.198 -175.701 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 186' ' ' SER . . . . . . . . . . . . . 86.4 p -114.45 5.02 15.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.243 -176.632 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 187' ' ' HIS . . . . . . . . . . . . . 92.4 m-70 -119.95 140.54 50.76 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.225 -178.389 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 188' ' ' ASN . . . . . 0.57 ' HB2' ' HD3' ' A' ' 189' ' ' PRO . 99.6 m-20 -69.43 -46.21 27.24 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.299 -0.409 . . . . 0.0 111.168 -178.51 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 189' ' ' PRO . . . . . 0.57 ' HD3' ' HB2' ' A' ' 188' ' ' ASN . 53.3 Cg_exo -55.06 -37.89 93.73 Favored 'Trans proline' 0 N--CA 1.459 -0.537 0 C-N-CA 121.688 1.592 . . . . 0.0 111.178 176.655 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 190' ' ' SER . . . . . . . . . . . . . 71.4 m -71.66 -39.16 70.5 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.183 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 191' ' ' PHE . . . . . . . . . . . . . 6.7 m-85 -56.73 -45.7 81.8 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.195 174.481 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 192' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -63.42 -47.34 82.36 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.242 178.513 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 193' ' ' ARG . . . . . . . . . . . . . 95.1 mtt-85 -70.12 -19.97 63.2 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.216 -177.117 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 194' ' ' LEU . . . . . . . . . . . . . 56.2 tp -70.09 -60.62 2.18 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.202 -179.244 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 195' ' ' LEU . . . . . . . . . . . . . 84.2 mt -112.49 -40.68 4.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.236 -171.868 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 196' ' ' VAL . . . . . . . . . . . . . 74.0 t -72.86 -39.75 59.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.218 -167.146 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 197' ' ' GLU . . . . . . . . . . . . . 76.0 mm-40 -76.27 -28.23 56.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.187 179.396 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 198' ' ' THR . . . . . . . . . . . . . 81.8 p -88.8 -27.54 21.04 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.176 -171.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 199' ' ' ILE . . . . . . . . . . . . . 14.7 tt -70.37 -18.78 21.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.284 -0.417 . . . . 0.0 111.235 178.126 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 200' ' ' TYR . . . . . . . . . . . . . 68.1 m-85 -111.39 35.04 3.76 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.217 173.538 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 201' ' ' SER . . . . . . . . . . . . . 41.0 t . . . . . 0 C--O 1.2 -1.518 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.179 -178.11 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.622 0 N-CA-C 111.175 -0.77 . . . . 0.0 111.175 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 96.0 mt -88.85 -41.78 14.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.841 0.353 . . . . 0.0 111.238 -179.422 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 97.3 mt -62.98 -49.56 83.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.195 -178.433 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 87.4 tt0 -69.99 131.14 43.92 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.181 174.361 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 93.7 mt-10 -111.09 92.42 4.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.2 -172.139 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 85.9 mttt -94.62 154.92 17.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.238 168.713 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -128.39 137.63 51.97 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.14 -172.829 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 65.4 mt -103.01 147.6 26.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.234 170.365 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 1.6 t80 -120.02 93.0 3.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.209 172.794 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.404 HG22 ' HB ' ' A' ' 114' ' ' ILE . 64.4 t -94.0 115.32 32.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.159 -179.341 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 52.3 m -107.43 126.02 51.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.148 177.691 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 60.3 m -107.04 162.92 13.42 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.129 177.338 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -85.04 -171.63 48.44 Favored Glycine 0 CA--C 1.523 0.538 0 N-CA-C 111.267 -0.733 . . . . 0.0 111.267 -178.248 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -107.66 18.62 21.2 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.755 0.312 . . . . 0.0 111.192 179.507 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 40.4 p -124.99 -69.54 0.79 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.219 -174.359 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 82.4 t -58.64 130.16 85.09 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.144 -175.668 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 76.0 Cg_exo -51.17 130.49 32.32 Favored 'Trans proline' 0 N--CA 1.458 -0.596 0 C-N-CA 121.734 1.623 . . . . 0.0 111.125 178.456 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . 0.638 ' N ' ' CD ' ' A' ' 19' ' ' PRO . 10.8 m-30 -70.11 -35.98 5.68 Favored Pre-proline 0 C--N 1.33 -0.259 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.193 176.834 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.638 ' CD ' ' N ' ' A' ' 18' ' ' PHE . 72.0 Cg_exo -53.86 -16.83 9.36 Favored 'Trans proline' 0 N--CA 1.458 -0.583 0 C-N-CA 121.695 1.597 . . . . 0.0 111.206 175.138 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -94.46 -31.55 13.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.218 173.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 94.5 mt -95.97 -62.64 1.25 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.288 -171.721 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 5.7 m -79.29 -15.92 13.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.184 -169.013 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 82.9 p -60.97 -28.98 69.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.166 174.485 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 71.8 m -87.97 -30.08 20.29 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.155 175.673 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 78.5 t -65.31 -26.6 39.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.211 171.564 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 86.2 mt -104.99 27.27 8.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.2 175.805 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 4.9 t -65.45 147.56 53.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.219 179.748 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 68.6 m-20 -68.55 -22.05 64.51 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.165 175.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -93.03 -35.39 13.28 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.24 178.551 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 91.5 t80 -58.53 -49.69 76.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.209 173.453 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 96.6 m -64.91 -33.01 75.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.198 -176.038 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 65.7 tt0 -63.16 -58.03 8.58 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.226 176.71 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 69.6 mm-40 -62.49 -33.65 75.3 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.173 177.615 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 37.8 tp -57.25 -48.35 79.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.183 179.308 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 94.0 mt -60.93 -38.42 79.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.196 176.527 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 99.5 mm-40 -66.94 -19.75 65.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.253 178.892 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 23.2 m-30 -87.32 -10.43 52.27 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.215 178.401 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 99.33 6.04 55.55 Favored Glycine 0 CA--C 1.523 0.577 0 N-CA-C 111.15 -0.78 . . . . 0.0 111.15 179.446 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 72.3 m-85 -98.15 123.8 42.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.863 0.363 . . . . 0.0 111.15 -176.258 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 35.7 m -132.89 -6.82 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.17 -178.858 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 94.5 mtt-85 -110.08 98.88 8.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.181 177.134 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 58.0 tp -101.12 106.84 18.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.228 -176.647 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 96.8 mt -96.38 132.26 41.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.181 175.89 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 78.0 mt -128.6 125.27 63.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.203 174.882 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 65.7 tt0 -94.35 120.77 35.09 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.175 178.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 42.5 m-85 -75.04 162.06 28.89 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.183 -179.271 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -93.8 178.56 37.9 Favored Glycine 0 CA--C 1.525 0.658 0 N-CA-C 111.144 -0.782 . . . . 0.0 111.144 179.857 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 79.8 ttt180 -68.87 -33.57 74.01 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.777 0.322 . . . . 0.0 111.191 -177.378 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 73.0 m-80 -100.86 17.17 22.86 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.157 -172.385 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 95.5 m-85 -129.62 139.98 51.29 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.211 -177.845 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 97.8 p -78.9 152.73 31.0 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.195 179.648 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 59.2 p -84.96 66.79 9.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.239 -173.028 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 19.8 pt-20 -150.04 145.54 26.45 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.145 -179.368 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 68.2 m-85 -116.45 26.35 9.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.151 169.756 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -51.22 -46.0 62.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.263 -171.726 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 83.5 t60 -63.56 -54.97 27.78 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.172 -176.215 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 90.1 mt -70.6 -38.31 73.98 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.173 -170.775 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 54.9 t -69.22 -44.46 80.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.171 -177.413 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 86.8 mt-30 -64.99 -33.75 76.79 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.218 175.04 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -66.24 -40.06 89.95 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.215 174.825 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 39.5 mmt180 -76.25 -21.38 56.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.202 -179.771 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 94.63 30.97 8.12 Favored Glycine 0 CA--C 1.523 0.574 0 N-CA-C 111.207 -0.757 . . . . 0.0 111.207 175.11 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -95.02 -165.01 35.34 Favored Glycine 0 CA--C 1.523 0.589 0 N-CA-C 111.19 -0.764 . . . . 0.0 111.19 178.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 61.4 tp60 -127.48 119.91 27.15 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.724 0.297 . . . . 0.0 111.232 -179.887 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 55.5 ptt85 -75.0 144.98 42.85 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.177 179.757 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 19.6 mm-40 -138.34 82.24 1.9 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.227 175.33 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 26.1 t -64.53 106.36 1.14 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.151 177.435 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 85.3 mm-40 -120.3 179.91 4.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.177 -173.69 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -121.75 90.24 3.27 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.274 179.837 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 28.5 mm -62.76 129.81 93.28 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.201 178.667 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 67.4 Cg_endo -77.6 146.38 24.1 Favored 'Trans proline' 0 N--CA 1.458 -0.588 0 C-N-CA 121.781 1.654 . . . . 0.0 111.192 -175.511 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 96.7 mt -86.84 -40.1 13.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.212 176.676 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 99.4 m-20 -71.69 -39.48 70.19 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.222 -178.317 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 88.8 mt-30 -88.77 -49.94 6.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.178 -172.541 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 74.0 t80 -91.19 -56.0 3.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.233 -177.174 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 119.61 28.25 1.97 Allowed Glycine 0 CA--C 1.523 0.591 0 N-CA-C 111.173 -0.771 . . . . 0.0 111.173 174.772 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 15.7 t -146.55 165.57 29.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.862 0.363 . . . . 0.0 111.158 175.435 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -72.42 171.44 49.28 Favored Glycine 0 CA--C 1.524 0.596 0 N-CA-C 111.23 -0.748 . . . . 0.0 111.23 -174.598 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 58.2 p-10 -94.14 12.01 28.03 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.774 0.321 . . . . 0.0 111.207 -172.382 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 82.6 p -84.56 -13.52 51.54 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.19 174.859 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -66.56 146.09 54.89 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.193 175.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 77.9 mtt85 -127.41 149.18 50.2 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.178 -174.831 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . 0.431 ' HG2' HG12 ' A' ' 94' ' ' ILE . 79.2 mt-30 -104.73 150.14 25.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.169 178.15 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 97.0 m-85 -142.67 146.29 34.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.225 -179.779 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 99.2 t -113.25 118.62 58.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.214 -176.734 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 94.3 mt -119.73 164.11 16.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.253 175.585 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 88.8 mmm 62.35 29.94 17.34 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.193 173.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 96.4 m-20 64.7 34.95 9.24 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.207 174.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 98.12 -3.72 60.32 Favored Glycine 0 CA--C 1.523 0.591 0 N-CA-C 111.236 -0.746 . . . . 0.0 111.236 174.579 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -80.55 -25.48 38.58 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.869 0.366 . . . . 0.0 111.251 -177.882 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 62.6 tp -122.84 124.56 43.55 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.26 178.755 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -105.03 114.99 29.52 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.178 177.147 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 58.5 t -110.26 121.36 62.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.175 -177.352 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . 0.431 HG12 ' HG2' ' A' ' 83' ' ' GLN . 68.5 mt -124.89 128.86 73.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.224 -179.425 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -111.65 133.28 11.37 Favored Glycine 0 CA--C 1.523 0.562 0 N-CA-C 111.254 -0.738 . . . . 0.0 111.254 -177.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 99.0 m-85 -116.36 159.64 21.65 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.736 0.303 . . . . 0.0 111.243 -172.527 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 10.0 t0 -75.0 170.04 16.79 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.229 -175.42 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 89.4 t80 -82.92 118.07 23.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.197 -177.852 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 12.6 t -171.88 138.46 1.06 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.201 176.826 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 81.7 p -80.88 -14.66 57.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.211 174.498 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -84.56 -31.97 24.07 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.18 175.215 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 66.2 mtt -74.69 -44.83 48.16 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.155 179.284 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' GLN . . . . . 0.456 ' HA ' ' HB ' ' A' ' 106' ' ' ILE . 20.6 pt20 -69.92 -19.89 63.37 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.234 -172.711 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 60.6 p -66.8 -20.69 65.99 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.161 177.558 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 95.1 mt -104.17 -38.75 5.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.219 175.332 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . 0.456 ' HB ' ' HA ' ' A' ' 103' ' ' GLN . 94.9 mt -56.17 -35.3 41.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.219 177.203 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . 0.404 ' HB2' HD11 ' A' ' 128' ' ' LEU . 35.9 ptt180 -62.64 -20.08 64.44 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.136 -178.639 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 97.2 m-20 -77.46 -8.95 58.55 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.176 -178.793 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' TYR . . . . . . . . . . . . . 59.0 m-85 -110.13 40.88 1.84 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.123 179.803 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 87.4 p -143.11 154.99 44.49 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.163 -174.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 55.8 m-20 -113.6 -32.77 6.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.169 176.549 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . 0.444 ' C ' HD23 ' A' ' 112' ' ' LEU . 10.5 tt -135.38 133.41 38.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.198 177.373 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 95.9 t -104.87 133.12 49.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.205 -170.501 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 114' ' ' ILE . . . . . 0.404 ' HB ' HG22 ' A' ' 10' ' ' VAL . 89.6 mt -124.47 135.21 64.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.261 -177.362 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 36.9 t -123.79 141.54 51.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.199 -178.311 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 97.9 m-70 -107.04 83.8 1.88 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.152 167.846 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . 55.04 53.86 9.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.202 -177.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -137.21 150.53 20.71 Favored Glycine 0 CA--C 1.523 0.568 0 N-CA-C 111.219 -0.753 . . . . 0.0 111.219 175.141 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 82.2 p -106.2 -26.95 11.35 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.79 0.328 . . . . 0.0 111.213 -171.07 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -64.88 -39.01 96.23 Favored Glycine 0 CA--C 1.523 0.563 0 N-CA-C 111.19 -0.764 . . . . 0.0 111.19 176.308 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 48.5 t -65.33 -39.53 92.52 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.791 0.329 . . . . 0.0 111.175 176.463 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 122' ' ' ILE . . . . . . . . . . . . . 93.7 mt -60.64 -44.99 98.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.224 176.691 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 56.7 tp -59.18 -43.17 92.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.208 177.301 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 97.6 m-20 -59.47 -45.14 92.5 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.12 177.235 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 22.7 t -60.15 -41.98 93.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.251 -179.812 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 96.2 mt -74.21 -31.57 62.67 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.167 -176.786 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -72.74 -30.09 63.88 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.237 175.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . 0.404 HD11 ' HB2' ' A' ' 107' ' ' ARG . 96.0 mt -83.79 -17.68 40.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.221 175.285 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 79.0 m-20 65.22 36.06 7.34 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.172 -174.905 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 41.2 mmtm -111.56 159.98 31.17 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.236 -178.104 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 68.4 Cg_exo -57.52 145.23 89.74 Favored 'Trans proline' 0 N--CA 1.458 -0.564 0 C-N-CA 121.724 1.616 . . . . 0.0 111.141 -176.388 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 49.0 tp -120.72 119.7 33.53 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.176 -175.848 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 85.4 mt -120.35 127.66 75.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.233 177.587 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 96.8 t -114.92 126.07 72.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.239 177.524 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 135' ' ' CYS . . . . . . . . . . . . . 53.9 t -119.12 125.29 48.92 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.257 -179.484 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 32.8 m -86.33 171.96 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.22 -170.445 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 18.7 p-10 -92.49 179.95 5.37 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.245 -174.404 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 96.3 m-20 -76.95 -14.68 59.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.232 -167.281 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 86.7 p -68.01 -18.69 64.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.201 -176.37 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 90.3 mt -99.91 149.75 23.1 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.254 177.869 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 141' ' ' MET . . . . . . . . . . . . . 91.8 mmm -94.94 -145.06 0.26 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.261 -176.745 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 64.6 m-20 -96.76 -39.73 9.31 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.201 -177.722 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 99.0 m-20 -65.88 -32.2 73.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.149 173.912 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 144' ' ' HIS . . . . . . . . . . . . . 37.0 m170 -63.59 -47.51 81.16 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.172 174.201 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 145' ' ' GLN . . . . . 0.462 ' HG3' ' HA ' ' A' ' 162' ' ' ALA . 23.5 tm0? -68.62 -30.9 69.72 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.235 -178.811 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 146' ' ' GLN . . . . . . . . . . . . . 71.7 tp60 -64.64 -47.79 77.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.182 177.061 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 147' ' ' GLN . . . . . . . . . . . . . 87.8 mt-30 -64.85 -35.23 80.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.196 178.839 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 148' ' ' ILE . . . . . . . . . . . . . 92.3 mt -65.38 -46.67 89.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.227 175.196 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -63.24 -36.56 84.06 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.164 179.468 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 96.2 m-20 -56.99 -32.2 65.86 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.196 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 151' ' ' LYS . . . . . . . . . . . . . 59.6 mmtt -95.38 -29.94 14.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.176 -175.829 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 152' ' ' PHE . . . . . . . . . . . . . 7.1 m-30 -68.07 -27.56 66.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.145 174.883 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 153' ' ' VAL . . . . . . . . . . . . . 53.5 t -70.72 -39.41 75.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.161 171.198 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 92.5 mt-10 -62.79 -35.26 79.27 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.202 174.763 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 155' ' ' LEU . . . . . . . . . . . . . 84.7 mt -64.98 -49.96 68.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.133 173.289 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . 80.05 19.33 70.11 Favored Glycine 0 CA--C 1.523 0.591 0 N-CA-C 111.176 -0.769 . . . . 0.0 111.176 168.146 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 157' ' ' TYR . . . . . . . . . . . . . 26.2 p90 -140.07 9.59 2.34 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.784 0.326 . . . . 0.0 111.2 176.284 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 158' ' ' VAL . . . . . . . . . . . . . 7.6 p -147.81 135.0 13.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.254 -176.537 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 159' ' ' TRP . . . . . . . . . . . . . 91.7 m95 -98.14 150.12 21.79 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.22 176.719 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 160' ' ' SER . . . . . . . . . . . . . 31.2 t -111.59 126.61 55.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.22 176.904 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 161' ' ' CYS . . . . . 0.421 ' SG ' ' HA3' ' A' ' 171' ' ' GLY . 91.2 m -115.18 145.01 42.82 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.212 177.327 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 162' ' ' ALA . . . . . 0.462 ' HA ' ' HG3' ' A' ' 145' ' ' GLN . . . -75.26 158.43 83.88 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.229 177.669 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 163' ' ' PRO . . . . . . . . . . . . . 88.7 Cg_endo -78.99 61.35 8.13 Favored 'Trans proline' 0 N--CA 1.458 -0.581 0 C-N-CA 121.694 1.596 . . . . 0.0 111.226 -178.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 164' ' ' THR . . . . . . . . . . . . . 28.0 p -133.29 -175.36 3.78 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.18 177.278 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 165' ' ' GLU . . . . . . . . . . . . . 89.2 mt-10 -87.59 7.92 27.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.172 173.004 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 166' ' ' THR . . . . . . . . . . . . . 82.0 p -125.55 -19.62 4.94 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.235 -178.75 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 167' ' ' GLY . . . . . . . . . . . . . . . -62.84 -47.73 86.64 Favored Glycine 0 CA--C 1.523 0.541 0 N-CA-C 111.172 -0.771 . . . . 0.0 111.172 -177.767 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 168' ' ' LEU . . . . . . . . . . . . . 25.0 tp -67.26 -32.54 73.61 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.744 0.307 . . . . 0.0 111.206 -179.599 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 96.3 mt -61.08 -44.37 98.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.262 174.24 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 170' ' ' ALA . . . . . . . . . . . . . . . -61.97 -37.69 85.71 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.271 177.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 171' ' ' GLY . . . . . 0.421 ' HA3' ' SG ' ' A' ' 161' ' ' CYS . . . -63.97 -41.23 98.71 Favored Glycine 0 CA--C 1.524 0.607 0 N-CA-C 111.162 -0.775 . . . . 0.0 111.162 178.353 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 83.1 mt -63.78 -35.39 80.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.789 0.328 . . . . 0.0 111.187 178.667 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 173' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -70.0 -37.78 75.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.193 173.817 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -64.94 -36.04 83.11 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.2 -178.453 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 52.3 p -64.99 -21.49 66.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.184 179.89 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 176' ' ' GLN . . . . . . . . . . . . . 93.3 mm-40 -100.74 -25.84 13.99 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.239 -178.581 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 177' ' ' THR . . . . . . . . . . . . . 99.4 m -71.95 -46.02 59.01 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.2 179.143 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 178' ' ' GLU . . . . . . . . . . . . . 94.0 mt-10 -127.42 159.9 33.07 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.181 -177.544 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 179' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -94.91 159.85 14.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.167 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 180' ' ' LEU . . . . . . . . . . . . . 96.2 mt -113.72 155.06 26.26 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.223 179.705 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 181' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -97.86 155.48 37.06 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.139 179.551 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 182' ' ' PRO . . . . . . . . . . . . . 57.7 Cg_endo -69.81 158.07 58.14 Favored 'Trans proline' 0 N--CA 1.457 -0.637 0 C-N-CA 121.674 1.583 . . . . 0.0 111.213 178.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 183' ' ' PHE . . . . . . . . . . . . . 20.5 t80 -138.82 89.36 13.1 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.213 178.538 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 184' ' ' PRO . . . . . . . . . . . . . 69.4 Cg_exo -60.47 -32.49 93.78 Favored 'Trans proline' 0 N--CA 1.458 -0.588 0 C-N-CA 121.66 1.573 . . . . 0.0 111.235 -172.621 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 185' ' ' VAL . . . . . . . . . . . . . 87.3 t -61.24 119.77 5.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.148 -176.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 186' ' ' SER . . . . . . . . . . . . . 54.3 m -127.17 29.66 5.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.181 -169.459 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 187' ' ' HIS . . . . . . . . . . . . . 96.1 m-70 -90.05 152.55 21.11 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.198 -178.287 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 188' ' ' ASN . . . . . 0.513 ' N ' ' HD2' ' A' ' 189' ' ' PRO . 98.9 m-20 -64.39 -51.72 58.57 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.196 -177.365 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 189' ' ' PRO . . . . . 0.513 ' HD2' ' N ' ' A' ' 188' ' ' ASN . 60.2 Cg_endo -73.29 -20.2 21.47 Favored 'Trans proline' 0 N--CA 1.457 -0.637 0 C-N-CA 121.715 1.61 . . . . 0.0 111.206 -175.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 190' ' ' SER . . . . . . . . . . . . . 67.2 p -71.05 -20.11 62.41 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.299 177.331 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 191' ' ' PHE . . . . . . . . . . . . . 30.5 m-85 -89.94 -44.52 9.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.196 173.245 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 192' ' ' GLU . . . . . . . . . . . . . 88.3 tt0 -54.97 -42.52 72.49 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.218 179.351 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 193' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -74.93 -18.48 60.39 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.231 -174.52 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 194' ' ' LEU . . . . . . . . . . . . . 90.8 mt -103.63 -17.57 15.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.188 179.329 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 195' ' ' LEU . . . . . . . . . . . . . 23.3 tp -110.06 -60.03 1.85 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.184 -174.841 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 196' ' ' VAL . . . . . . . . . . . . . 68.8 t -73.53 -42.8 55.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.173 -172.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 197' ' ' GLU . . . . . . . . . . . . . 95.1 mt-10 -66.13 -29.96 70.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.23 178.22 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 198' ' ' THR . . . . . . . . . . . . . 93.0 m -76.94 -49.62 15.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.204 177.786 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 199' ' ' ILE . . . . . . . . . . . . . 92.8 mt -71.07 -42.08 76.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.138 -174.832 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 200' ' ' TYR . . . . . . . . . . . . . 79.4 m-85 -114.99 44.85 1.71 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.137 -177.247 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 201' ' ' SER . . . . . . . . . . . . . 42.5 t . . . . . 0 C--O 1.2 -1.537 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.241 177.756 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.621 0 N-CA-C 111.193 -0.763 . . . . 0.0 111.193 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 44.1 pt -114.97 15.45 8.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-O 120.789 0.328 . . . . 0.0 111.192 -179.596 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 97.1 mt -66.45 -54.66 23.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.195 177.436 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 88.2 tt0 -75.91 121.29 22.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.227 170.213 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 95.5 mt-10 -108.25 82.21 1.6 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.185 -173.879 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.476 ' HB2' ' HA ' ' A' ' 39' ' ' PHE . 97.0 mttt -69.27 148.64 49.49 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.193 174.465 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -114.21 130.1 56.63 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.178 -168.642 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 93.2 mt -89.65 145.36 25.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.164 167.158 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 1.2 t80 -120.1 91.29 3.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.173 171.778 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 85.4 t -97.24 129.74 46.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.166 -174.061 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 47.1 p -117.45 160.01 21.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.236 173.137 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 77.3 m -127.38 154.58 44.82 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.188 -175.878 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -132.59 -158.68 8.98 Favored Glycine 0 CA--C 1.523 0.589 0 N-CA-C 111.198 -0.761 . . . . 0.0 111.198 -179.593 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -94.78 -36.14 11.81 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.768 0.318 . . . . 0.0 111.198 -173.82 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 94.1 m -59.91 -54.79 41.96 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.233 -172.155 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 67.5 t -91.83 128.97 43.86 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.169 177.751 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 83.4 Cg_exo -52.53 137.14 57.87 Favored 'Trans proline' 0 N--CA 1.459 -0.547 0 C-N-CA 121.69 1.593 . . . . 0.0 111.139 -178.807 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . 0.553 ' HB3' ' HD3' ' A' ' 19' ' ' PRO . 86.4 t80 -61.87 -44.4 90.28 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.218 -178.311 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.553 ' HD3' ' HB3' ' A' ' 18' ' ' PHE . 71.7 Cg_exo -53.55 -39.85 81.14 Favored 'Trans proline' 0 N--CA 1.458 -0.577 0 C-N-CA 121.68 1.587 . . . . 0.0 111.167 178.894 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -72.41 -40.26 67.31 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.182 -179.645 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 80.8 mt -59.33 -42.95 92.65 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.174 179.671 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 72.4 t -75.7 -38.27 37.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.19 -179.818 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 45.7 t -59.65 -39.91 85.95 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.27 179.812 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 60.8 m -68.5 -45.03 73.39 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.167 -176.088 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 33.7 m -73.88 -19.09 17.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.212 -178.144 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 69.7 mt -105.09 15.55 27.38 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.205 176.21 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 54.6 p -73.93 154.22 39.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.183 -178.415 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 99.8 m-20 -65.6 -35.17 80.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.144 178.85 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 78.0 mm-40 -74.3 -42.7 59.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.183 -176.182 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 84.1 t80 -68.35 -47.5 67.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.176 -179.636 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 95.0 m -66.38 -30.37 70.74 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.167 -177.468 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 66.9 tt0 -53.08 -50.23 64.8 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.198 -178.411 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 94.8 mt-10 -85.94 -27.86 24.66 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.252 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.492 ' HG ' ' HB2' ' A' ' 39' ' ' PHE . 47.8 tp -54.93 -45.02 74.75 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.159 -179.224 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 41.5 pt -78.36 -10.67 13.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.222 -177.727 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 65.0 mt-30 -91.04 -19.74 22.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.211 174.823 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 42.5 m-85 -78.7 -25.9 44.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.167 172.024 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 117.78 14.66 6.64 Favored Glycine 0 CA--C 1.523 0.54 0 N-CA-C 111.217 -0.753 . . . . 0.0 111.217 175.775 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.492 ' HB2' ' HG ' ' A' ' 34' ' ' LEU . 71.5 m-85 -93.31 129.77 39.29 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.759 0.314 . . . . 0.0 111.199 -179.678 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.524 ' O ' HG12 ' A' ' 40' ' ' VAL . 70.3 t -136.94 -10.08 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.2 -177.685 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 78.0 mtm180 -115.13 132.43 56.61 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.212 177.018 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 40.5 tp -128.72 109.73 11.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.224 179.506 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 4.5 mp -100.58 117.4 45.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.185 -179.027 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 69.8 mt -116.69 126.0 73.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.173 -174.627 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 12.1 tp-100 -86.91 120.04 27.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.216 176.259 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . 0.408 ' CE1' ' HA3' ' A' ' 95' ' ' GLY . 54.0 p90 -159.29 169.35 24.24 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.161 176.245 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -75.7 -176.54 40.11 Favored Glycine 0 CA--C 1.524 0.594 0 N-CA-C 111.194 -0.762 . . . . 0.0 111.194 -171.215 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 79.1 ttt180 -84.96 -70.02 0.61 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.739 0.304 . . . . 0.0 111.267 -174.062 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 72.9 m-80 -112.31 14.65 20.47 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.176 -176.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 82.1 m-85 -119.65 -5.05 10.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.17 -176.596 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 13.1 m -136.19 9.95 3.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.225 -176.882 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 75.2 m -72.75 70.01 0.94 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.176 177.699 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 74.7 mm-40 -97.46 3.07 50.92 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.228 179.51 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 65.6 m-85 -75.04 -13.02 60.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.22 -177.134 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 25.2 pt-20 -72.69 -9.63 58.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.177 171.199 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 98.3 m-70 -116.72 -13.76 10.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.213 177.012 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 89.2 mt -112.01 -21.41 11.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.205 -174.026 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 95.6 t -115.39 -52.83 4.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.204 177.513 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 33.4 tt0 -62.15 -43.06 99.67 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.215 -177.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 94.5 mt-10 -74.9 -29.34 60.96 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.198 176.44 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 53.8 tpt85 -63.21 -30.91 71.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.215 175.847 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 110.66 17.63 9.04 Favored Glycine 0 CA--C 1.523 0.534 0 N-CA-C 111.203 -0.759 . . . . 0.0 111.203 176.549 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -94.99 -169.14 36.46 Favored Glycine 0 CA--C 1.523 0.577 0 N-CA-C 111.191 -0.763 . . . . 0.0 111.191 179.094 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 96.2 mm-40 -114.97 169.77 8.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.735 0.302 . . . . 0.0 111.184 177.567 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -162.0 144.8 11.7 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.216 -176.606 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 38.0 tt0 -168.77 144.85 3.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.135 -179.723 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 38.0 t -79.51 136.44 36.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.192 176.162 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 91.4 mm-40 -126.88 151.71 48.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.249 -175.168 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -119.06 105.0 10.98 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.178 172.87 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.409 ' HA ' ' HD3' ' A' ' 71' ' ' PRO . 72.3 mt -112.55 132.48 22.18 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.224 -170.099 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . 0.409 ' HD3' ' HA ' ' A' ' 70' ' ' ILE . 53.9 Cg_exo -55.07 127.16 25.12 Favored 'Trans proline' 0 N--CA 1.458 -0.61 0 C-N-CA 121.702 1.601 . . . . 0.0 111.191 177.483 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 92.9 mt -70.32 -40.68 78.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.166 175.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 99.6 m-20 -69.88 -21.92 63.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.216 -173.094 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 98.8 mm-40 -99.97 -39.85 7.94 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.15 -174.555 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 92.4 m-85 -118.04 -40.22 3.0 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.211 -173.291 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 108.47 -4.96 33.08 Favored Glycine 0 CA--C 1.524 0.621 0 N-CA-C 111.179 -0.769 . . . . 0.0 111.179 179.682 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 79.2 m -87.72 157.43 19.07 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.809 0.337 . . . . 0.0 111.145 173.715 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -95.09 -165.24 35.31 Favored Glycine 0 CA--C 1.523 0.583 0 N-CA-C 111.216 -0.753 . . . . 0.0 111.216 -175.495 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 55.1 p-10 -100.5 10.48 41.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.829 0.347 . . . . 0.0 111.225 -178.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 58.7 p -117.99 32.28 6.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.216 175.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -72.67 136.78 45.7 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.21 -175.503 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 32.7 mmm-85 -110.02 102.3 11.04 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.263 176.826 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 32.8 tt0 -88.97 134.17 34.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.201 -173.317 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . 0.482 ' HB2' ' HB ' ' A' ' 93' ' ' VAL . 40.2 m-85 -132.95 141.41 48.32 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.188 173.721 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 68.8 t -116.95 114.06 44.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.208 -173.473 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 87.2 mt -129.49 172.27 11.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.194 177.924 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 95.6 mmm 60.36 30.11 19.55 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.173 177.916 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 96.4 m-20 64.91 32.08 10.96 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.203 178.532 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 95.05 -2.33 65.91 Favored Glycine 0 CA--C 1.522 0.53 0 N-CA-C 111.218 -0.753 . . . . 0.0 111.218 177.112 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 99.7 mttt -81.28 -16.95 51.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.777 0.322 . . . . 0.0 111.203 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 62.1 tp -118.37 109.28 16.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.175 174.386 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 96.5 mttt -101.18 102.61 13.56 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.249 178.874 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . 0.482 ' HB ' ' HB2' ' A' ' 84' ' ' TYR . 60.2 t -97.55 128.45 48.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.177 -175.806 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 71.8 mt -124.52 121.58 61.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.179 177.405 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . 0.408 ' HA3' ' CE1' ' A' ' 46' ' ' PHE . . . -100.16 146.97 17.95 Favored Glycine 0 CA--C 1.524 0.622 0 N-CA-C 111.172 -0.771 . . . . 0.0 111.172 -179.039 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 80.3 m-85 -133.25 148.42 51.98 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.825 0.345 . . . . 0.0 111.202 173.457 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 64.4 t0 -111.21 80.44 1.31 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.204 163.283 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 7.9 m-30 -110.08 139.73 44.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.135 -168.549 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 86.8 p -79.52 170.0 17.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.177 165.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 97.6 m -47.42 -45.07 25.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.227 -174.618 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -66.19 -32.48 73.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.199 -178.397 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' MET . . . . . 0.407 ' O ' HG12 ' A' ' 105' ' ' ILE . 96.7 mmm -85.73 -12.36 51.3 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.195 -177.789 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 80.4 mt-30 -84.38 -14.9 48.18 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.223 178.726 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 87.2 p -68.25 -19.4 64.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.235 -176.892 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . 0.407 HG12 ' O ' ' A' ' 102' ' ' MET . 48.0 pt -94.19 -7.99 9.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.233 -177.476 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 46.3 pt -115.6 0.02 8.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.258 175.131 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 70.5 mtt180 -67.92 -42.51 80.95 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.238 167.825 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 57.4 p-10 -89.43 4.82 47.83 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.223 178.564 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' TYR . . . . . . . . . . . . . 41.5 t80 -101.55 40.0 1.37 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.252 175.128 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 87.3 p -145.78 155.04 42.68 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.148 -171.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 55.4 m-20 -120.0 -35.03 3.57 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.215 172.011 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 53.3 tp -131.62 119.93 22.13 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.172 175.764 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 96.9 t -96.39 130.83 44.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.184 -176.425 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 76.2 mt -121.6 102.62 12.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.151 179.279 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 63.0 m -109.92 135.82 50.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.12 -166.052 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 65.8 t-80 -69.98 140.04 52.89 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.205 173.161 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . 0.43 ' HA ' HD11 ' A' ' 122' ' ' ILE . . . -54.15 133.43 44.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.197 178.736 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 85.06 37.51 9.96 Favored Glycine 0 CA--C 1.524 0.611 0 N-CA-C 111.161 -0.776 . . . . 0.0 111.161 174.262 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 70.5 p -126.49 169.79 12.67 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.794 0.331 . . . . 0.0 111.217 175.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -84.87 -18.99 60.3 Favored Glycine 0 CA--C 1.524 0.6 0 N-CA-C 111.189 -0.764 . . . . 0.0 111.189 175.687 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 85.0 p -65.88 -24.8 66.93 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.77 0.319 . . . . 0.0 111.138 178.744 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 122' ' ' ILE . . . . . 0.43 HD11 ' HA ' ' A' ' 117' ' ' ALA . 83.8 mt -60.01 -40.02 81.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.239 171.539 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 79.4 mt -85.93 -19.08 31.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.188 -177.216 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 80.3 m-20 -67.71 -48.9 65.22 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.224 177.386 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 8.5 t -57.96 -34.2 69.67 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.154 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 97.4 mt -63.19 -43.26 98.7 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.227 174.705 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 89.9 mtm180 -72.91 -21.35 60.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.133 178.339 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 90.9 mt -84.78 -14.58 47.73 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.177 176.692 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 55.5 t30 60.83 36.39 19.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.19 -173.216 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -113.97 148.39 39.84 Favored Pre-proline 0 C--N 1.328 -0.364 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.152 -178.269 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 75.8 Cg_exo -53.17 138.7 63.4 Favored 'Trans proline' 0 N--CA 1.458 -0.576 0 C-N-CA 121.675 1.583 . . . . 0.0 111.174 179.663 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 132' ' ' LEU . . . . . 0.422 ' HB3' HG22 ' A' ' 158' ' ' VAL . 61.2 tp -132.13 120.07 21.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.194 -172.532 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 81.5 mt -97.69 120.11 46.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.195 166.709 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 88.6 t -99.58 113.23 34.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.161 -178.549 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 135' ' ' CYS . . . . . . . . . . . . . 87.5 m -86.3 105.0 16.35 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.163 -179.182 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 34.3 m -100.09 172.66 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.251 -175.66 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 54.6 t-20 -51.7 126.2 17.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.213 -178.814 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 55.3 p-10 -80.25 1.0 30.24 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.19 -172.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 82.4 p -80.41 -12.02 59.62 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.211 171.892 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 96.0 mt -72.97 141.34 47.77 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.25 178.463 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 141' ' ' MET . . . . . . . . . . . . . 99.0 mtp -74.96 168.67 19.49 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.202 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 99.5 m-20 -56.54 -40.09 74.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.177 178.344 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 99.5 m-20 -68.5 -35.33 77.34 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.286 177.696 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 144' ' ' HIS . . . . . . . . . . . . . 50.5 m170 -65.4 -44.27 88.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.211 177.847 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 145' ' ' GLN . . . . . . . . . . . . . 74.0 mt-30 -70.91 -36.05 72.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.222 -177.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 146' ' ' GLN . . . . . . . . . . . . . 73.7 tp60 -69.75 -39.87 76.47 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.167 177.497 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 147' ' ' GLN . . . . . . . . . . . . . 72.2 tp60 -61.39 -39.92 92.47 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.183 179.497 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 148' ' ' ILE . . . . . . . . . . . . . 97.3 mt -66.09 -45.05 91.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.107 174.809 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -64.13 -32.95 74.7 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.193 -179.16 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 87.9 m-20 -56.3 -33.51 65.61 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.16 -176.358 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 151' ' ' LYS . . . . . . . . . . . . . 44.2 mmtt -84.73 -30.0 25.08 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.22 177.644 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 152' ' ' PHE . . . . . . . . . . . . . 6.9 m-30 -69.99 -22.02 63.17 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.192 175.374 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 153' ' ' VAL . . . . . . . . . . . . . 43.5 t -63.33 -30.1 48.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.261 173.863 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -65.71 -21.31 66.52 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.205 176.91 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 155' ' ' LEU . . . . . . . . . . . . . 50.8 mt -75.02 -28.76 60.61 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.138 178.685 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . 109.23 -26.03 16.34 Favored Glycine 0 CA--C 1.522 0.523 0 N-CA-C 111.231 -0.748 . . . . 0.0 111.231 167.522 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 157' ' ' TYR . . . . . . . . . . . . . 37.9 p90 -149.9 24.75 0.84 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.772 0.32 . . . . 0.0 111.211 -171.233 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 158' ' ' VAL . . . . . 0.422 HG22 ' HB3' ' A' ' 132' ' ' LEU . 45.5 t -126.46 129.91 71.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.204 -176.358 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 159' ' ' TRP . . . . . . . . . . . . . 90.8 m95 -130.51 140.36 50.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.207 178.13 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 160' ' ' SER . . . . . . . . . . . . . 28.8 t -104.77 142.06 35.39 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.166 178.706 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 161' ' ' CYS . . . . . . . . . . . . . 29.7 p -164.99 165.06 20.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.182 175.396 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -75.57 137.87 70.7 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.182 170.857 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 163' ' ' PRO . . . . . . . . . . . . . 94.7 Cg_endo -76.4 69.93 6.41 Favored 'Trans proline' 0 N--CA 1.458 -0.597 0 C-N-CA 121.708 1.605 . . . . 0.0 111.223 178.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 164' ' ' THR . . . . . . . . . . . . . 24.3 p -120.62 -174.18 2.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.203 179.844 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 165' ' ' GLU . . . . . . . . . . . . . 25.2 pt-20 -70.01 -9.94 56.95 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.216 177.064 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 166' ' ' THR . . . . . . . . . . . . . 74.0 p -114.79 -42.15 3.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.238 -178.519 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 167' ' ' GLY . . . . . . . . . . . . . . . -76.31 -40.66 28.04 Favored Glycine 0 CA--C 1.524 0.594 0 N-CA-C 111.226 -0.75 . . . . 0.0 111.226 -173.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 168' ' ' LEU . . . . . . . . . . . . . 62.6 tp -64.03 -50.49 68.24 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.799 0.333 . . . . 0.0 111.203 -178.049 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 10.1 tp -66.55 -29.67 47.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.293 179.684 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 170' ' ' ALA . . . . . . . . . . . . . . . -65.41 -37.23 86.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.175 173.662 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 171' ' ' GLY . . . . . . . . . . . . . . . -65.01 -43.4 95.92 Favored Glycine 0 CA--C 1.523 0.585 0 N-CA-C 111.219 -0.752 . . . . 0.0 111.219 175.063 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 56.8 tp -60.38 -42.83 96.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.79 0.328 . . . . 0.0 111.186 176.434 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 173' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -62.14 -41.21 98.04 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.187 173.92 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -70.74 -25.04 62.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.163 -175.399 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 54.6 p -90.0 -34.3 16.04 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.183 -179.102 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 176' ' ' GLN . . . . . . . . . . . . . 93.7 mm-40 -102.11 -52.28 3.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.197 -171.539 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 177' ' ' THR . . . . . . . . . . . . . 85.4 m -73.99 -45.2 51.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.194 -176.712 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 178' ' ' GLU . . . . . . . . . . . . . 78.5 mm-40 -80.03 134.02 36.19 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.176 175.515 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 179' ' ' LYS . . . . . . . . . . . . . 88.6 tttt -67.11 130.09 42.0 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.208 -175.75 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 180' ' ' LEU . . . . . . . . . . . . . 58.0 mt -102.21 154.99 18.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.22 174.518 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 181' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -130.88 148.55 70.65 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.258 178.53 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 182' ' ' PRO . . . . . . . . . . . . . 60.5 Cg_endo -72.48 153.74 55.28 Favored 'Trans proline' 0 N--CA 1.458 -0.57 0 C-N-CA 121.699 1.599 . . . . 0.0 111.223 -179.289 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 183' ' ' PHE . . . . . . . . . . . . . 12.9 t80 -60.3 120.68 53.71 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.212 179.021 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 184' ' ' PRO . . . . . . . . . . . . . 96.2 Cg_exo -55.17 -38.5 93.55 Favored 'Trans proline' 0 N--CA 1.459 -0.556 0 C-N-CA 121.7 1.6 . . . . 0.0 111.228 -170.878 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 185' ' ' VAL . . . . . . . . . . . . . 93.2 t -70.47 117.16 13.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.163 -174.138 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 186' ' ' SER . . . . . . . . . . . . . 94.8 p -91.96 -9.11 44.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.199 -176.857 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 187' ' ' HIS . . . . . . . . . . . . . 96.7 m-70 -67.64 138.81 56.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.234 179.762 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 188' ' ' ASN . . . . . 0.505 ' HB2' ' HD3' ' A' ' 189' ' ' PRO . 98.4 m-20 -68.91 -49.39 26.57 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.216 -170.119 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 189' ' ' PRO . . . . . 0.505 ' HD3' ' HB2' ' A' ' 188' ' ' ASN . 93.9 Cg_endo -80.22 -19.32 9.32 Favored 'Trans proline' 0 N--CA 1.458 -0.56 0 C-N-CA 121.677 1.585 . . . . 0.0 111.199 -173.787 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 190' ' ' SER . . . . . . . . . . . . . 53.7 m -90.16 -29.52 18.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.161 177.143 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 191' ' ' PHE . . . . . . . . . . . . . 89.1 t80 -55.1 -58.61 6.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.207 176.438 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 192' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -67.22 -46.45 73.78 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.244 -178.39 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 193' ' ' ARG . . . . . . . . . . . . . 79.4 ttt180 -56.32 -58.22 8.9 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.191 -176.065 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 194' ' ' LEU . . . . . . . . . . . . . 97.9 mt -64.42 -35.13 79.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.219 -171.368 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 195' ' ' LEU . . . . . . . . . . . . . 80.2 mt -62.9 -44.91 94.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.257 177.371 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 196' ' ' VAL . . . . . . . . . . . . . 70.2 t -68.87 -42.66 82.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.194 -179.093 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 197' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -67.76 -39.52 84.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.168 -177.565 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 198' ' ' THR . . . . . . . . . . . . . 64.3 m -70.27 -46.32 64.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.241 -177.794 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 199' ' ' ILE . . . . . . . . . . . . . 13.0 tt -69.98 -24.4 26.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.162 -179.489 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 200' ' ' TYR . . . . . . . . . . . . . 92.8 t80 -69.32 -50.04 50.17 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.193 173.405 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 201' ' ' SER . . . . . . . . . . . . . 43.0 t . . . . . 0 C--O 1.199 -1.553 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.186 179.281 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.539 0 N-CA-C 111.202 -0.759 . . . . 0.0 111.202 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 45.3 pt -114.95 13.96 8.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.769 0.318 . . . . 0.0 111.23 179.634 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 96.6 mt -104.51 -54.99 6.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.201 178.694 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 44.6 tt0 -68.27 132.93 47.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.257 175.61 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -61.08 107.4 0.73 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.249 177.638 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 75.3 mmtt -90.43 160.75 15.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.209 -171.283 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -125.73 140.82 52.37 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.243 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 39.4 tp -113.98 119.01 35.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.196 -179.872 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 69.6 t80 -89.87 121.18 31.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.24 177.499 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 73.3 t -120.42 124.65 72.97 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.27 178.66 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.417 ' HA ' ' HB3' ' A' ' 45' ' ' GLN . 77.1 m -93.6 129.31 39.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.209 174.464 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 80.7 m -115.03 113.71 24.43 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.159 170.275 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -91.26 -177.27 43.31 Favored Glycine 0 CA--C 1.524 0.632 0 N-CA-C 111.2 -0.76 . . . . 0.0 111.2 -171.371 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -85.47 52.84 2.56 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.779 0.323 . . . . 0.0 111.176 -174.348 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 37.5 p -129.96 -83.75 0.55 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.197 176.916 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 95.7 t -71.83 128.75 89.1 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.261 -174.454 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 76.0 Cg_exo -50.1 132.47 33.24 Favored 'Trans proline' 0 N--CA 1.458 -0.589 0 C-N-CA 121.757 1.638 . . . . 0.0 111.201 177.505 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . 0.605 ' N ' ' CD ' ' A' ' 19' ' ' PRO . 9.8 m-30 -67.56 -38.7 16.14 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.152 -176.896 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.605 ' CD ' ' N ' ' A' ' 18' ' ' PHE . 57.5 Cg_exo -53.4 -22.76 21.97 Favored 'Trans proline' 0 N--CA 1.459 -0.534 0 C-N-CA 121.639 1.559 . . . . 0.0 111.203 174.257 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -97.86 -43.58 7.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.198 174.709 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 67.2 tp -77.46 -59.29 2.84 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.213 -174.483 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 73.7 t -61.63 -32.05 52.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.265 -176.891 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 94.9 p -63.05 -26.58 68.91 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.21 -179.207 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 98.4 m -85.01 -23.55 28.61 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.226 175.66 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 68.8 t -74.15 -29.14 24.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.163 170.673 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 91.7 mt -91.95 -2.38 56.8 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.201 -178.526 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 66.3 p -65.13 157.54 28.36 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.248 -173.209 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 99.6 m-20 -65.43 -39.4 92.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.235 178.141 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -70.46 -39.07 74.5 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.19 -176.268 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 83.5 t80 -59.05 -45.74 90.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.177 176.702 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.402 ' SG ' HD22 ' A' ' 91' ' ' LEU . 74.1 m -85.47 -15.57 42.47 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.147 -176.614 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 65.6 tt0 -61.15 -32.84 72.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.167 172.783 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 78.6 mm-40 -77.21 -37.82 52.62 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.2 174.907 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 78.9 mt -63.5 -37.17 86.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.135 -174.914 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 46.3 pt -71.8 -10.09 13.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.26 179.256 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 64.6 mt-30 -96.12 -5.57 40.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.2 173.585 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 50.4 m-85 -112.36 -6.49 14.03 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.17 175.533 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 89.35 21.85 39.71 Favored Glycine 0 CA--C 1.523 0.549 0 N-CA-C 111.193 -0.763 . . . . 0.0 111.193 175.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 34.1 m-85 -97.24 130.93 44.4 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.83 0.347 . . . . 0.0 111.222 179.298 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 87.5 t -124.76 -33.95 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.187 -177.148 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 73.8 mtm-85 -99.94 129.33 46.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.227 -173.509 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 54.6 mt -108.81 138.01 45.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.209 174.792 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 77.3 mt -124.13 106.18 16.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.183 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 92.7 mt -100.42 114.2 38.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.237 -172.14 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . 0.417 ' HB3' ' HA ' ' A' ' 11' ' ' THR . 51.2 tt0 -82.27 130.66 35.15 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.207 168.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 85.4 m-85 -102.97 120.42 40.6 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.134 -176.685 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -80.78 -168.37 39.08 Favored Glycine 0 CA--C 1.523 0.581 0 N-CA-C 111.247 -0.741 . . . . 0.0 111.247 179.607 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . 0.568 ' O ' ' HB2' ' A' ' 49' ' ' ASN . 99.7 mtt180 -82.59 162.69 21.84 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.788 0.327 . . . . 0.0 111.168 -175.133 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . 0.568 ' HB2' ' O ' ' A' ' 48' ' ' ARG . 94.9 m-20 76.19 0.32 3.24 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.235 178.817 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 92.9 m-85 -137.24 146.4 44.73 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.252 178.727 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 90.1 p -79.97 159.77 26.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.258 -179.424 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 55.0 m -85.22 55.38 3.47 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.228 178.683 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 75.7 tt0 -160.12 141.66 12.61 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.204 -175.672 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 45.8 p90 -143.09 37.76 1.41 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.228 176.395 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 86.4 tt0 -55.85 -35.54 66.54 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.167 -178.069 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 83.5 t60 -54.16 -46.11 72.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.19 -179.748 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 94.6 mt -65.57 -37.23 86.08 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.179 -175.876 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 56.1 t -72.97 -36.69 52.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.219 178.7 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 72.7 tp60 -64.94 -36.93 85.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.228 175.589 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 75.4 mm-40 -71.07 -33.08 69.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.229 176.038 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 51.7 tpt85 -75.17 -24.99 57.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.208 176.27 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 90.11 28.51 17.58 Favored Glycine 0 CA--C 1.524 0.625 0 N-CA-C 111.125 -0.79 . . . . 0.0 111.125 175.7 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -98.25 -167.16 31.44 Favored Glycine 0 CA--C 1.523 0.576 0 N-CA-C 111.173 -0.771 . . . . 0.0 111.173 -179.343 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 95.2 mm-40 -120.01 179.16 4.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.76 0.314 . . . . 0.0 111.206 179.007 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -167.7 141.31 3.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.251 -178.663 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -146.34 128.37 15.55 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.181 178.111 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 66.7 m -69.86 143.11 52.93 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.197 178.807 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 65.4 tt0 -160.08 134.95 7.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.249 -175.701 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -71.87 75.55 0.89 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.154 177.694 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 43.5 mm -62.07 126.5 87.64 Favored Pre-proline 0 C--N 1.328 -0.366 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.231 -177.374 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 79.9 Cg_exo -54.98 130.28 39.9 Favored 'Trans proline' 0 N--CA 1.458 -0.593 0 C-N-CA 121.668 1.579 . . . . 0.0 111.214 -175.916 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 16.0 tt -75.02 -20.01 16.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.197 171.552 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 68.0 m-20 -83.45 -35.56 24.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.203 -177.717 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 64.6 tt0 -86.06 -59.89 2.17 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.187 178.323 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 95.4 m-85 -91.14 -54.9 3.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.187 -176.439 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 119.2 26.69 2.4 Favored Glycine 0 CA--C 1.524 0.6 0 N-CA-C 111.162 -0.775 . . . . 0.0 111.162 -177.495 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 79.6 m -109.87 169.56 8.64 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.792 0.329 . . . . 0.0 111.185 178.805 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -94.89 -166.11 35.81 Favored Glycine 0 CA--C 1.523 0.591 0 N-CA-C 111.185 -0.766 . . . . 0.0 111.185 -177.831 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 58.6 p-10 -91.51 9.57 31.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.815 0.341 . . . . 0.0 111.212 -179.594 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 77.4 p -110.65 10.67 22.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.149 175.209 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -71.06 154.96 41.35 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.233 -175.535 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . 0.447 ' HD2' ' CZ ' ' A' ' 84' ' ' TYR . 40.8 ttm180 -137.94 137.74 38.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.221 178.321 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 63.9 tt0 -95.88 116.05 28.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.208 178.39 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . 0.447 ' CZ ' ' HD2' ' A' ' 82' ' ' ARG . 96.5 m-85 -97.72 138.24 35.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.132 177.108 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 74.8 t -116.74 107.99 23.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.195 -169.816 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.418 ' HB2' HD23 ' A' ' 91' ' ' LEU . 95.2 mt -121.86 167.75 12.67 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.242 -177.364 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 96.1 mtp 54.98 34.67 22.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.257 179.74 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 96.3 m-20 63.84 33.53 12.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.211 175.873 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 96.96 -4.07 62.77 Favored Glycine 0 CA--C 1.522 0.508 0 N-CA-C 111.181 -0.768 . . . . 0.0 111.181 175.58 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -80.14 -19.07 48.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.763 0.316 . . . . 0.0 111.205 -179.592 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.418 HD23 ' HB2' ' A' ' 86' ' ' LEU . 57.2 tp -121.27 121.76 38.42 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.167 177.082 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -114.5 108.44 16.86 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.178 -179.236 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 44.3 t -111.47 120.51 62.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.193 -174.109 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 87.3 mt -101.38 123.12 54.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.196 -176.75 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -106.25 147.75 16.3 Favored Glycine 0 CA--C 1.522 0.512 0 N-CA-C 111.237 -0.745 . . . . 0.0 111.237 171.12 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 29.6 p90 -163.73 172.1 14.66 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.815 0.341 . . . . 0.0 111.202 -170.221 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 14.0 m-20 -96.6 86.47 4.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.197 175.377 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 71.5 t80 -49.07 126.5 12.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.214 -178.498 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 56.0 m -130.0 169.63 15.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.239 -175.328 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 99.8 m -53.84 -44.96 70.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.211 -178.006 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -63.37 -32.85 74.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.163 -178.544 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 60.2 mtt -75.21 -24.99 57.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.204 -175.077 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 66.1 tt0 -53.46 -40.48 65.3 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.223 179.826 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 92.0 p -93.15 -2.77 54.99 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.181 -174.765 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 95.6 mt -112.09 -67.86 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.185 -173.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 13.5 tt -70.77 -23.42 23.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.224 -168.269 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -72.49 -41.36 66.07 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.19 176.272 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 38.6 t70 -66.91 -36.67 82.79 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.194 173.804 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' TYR . . . . . . . . . . . . . 81.0 t80 -56.09 -42.37 76.64 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.192 178.648 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 60.3 p -70.9 167.17 19.6 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.186 -176.683 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 54.4 m-20 -106.18 -37.69 6.5 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.181 -178.376 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 92.0 mt -112.8 146.46 38.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.212 172.126 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 95.2 t -123.86 122.13 63.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.254 177.42 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 114' ' ' ILE . . . . . 0.42 HG12 ' HB ' ' A' ' 133' ' ' ILE . 77.6 mt -114.2 117.36 55.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.272 175.191 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 60.7 p -91.88 158.3 16.37 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.191 177.081 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 14.6 t-160 -129.6 119.88 24.35 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.231 -177.467 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . 54.82 45.31 26.88 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.223 176.241 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 163.41 -176.27 39.58 Favored Glycine 0 CA--C 1.524 0.637 0 N-CA-C 111.171 -0.772 . . . . 0.0 111.171 178.268 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 45.7 p -126.78 25.09 6.43 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.798 0.332 . . . . 0.0 111.181 179.103 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -64.3 -45.61 93.0 Favored Glycine 0 CA--C 1.524 0.6 0 N-CA-C 111.183 -0.767 . . . . 0.0 111.183 -178.628 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 66.7 m -75.18 -17.51 60.36 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.817 0.342 . . . . 0.0 111.259 177.187 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 122' ' ' ILE . . . . . 0.471 HG13 HG22 ' A' ' 134' ' ' VAL . 48.9 mm -79.12 -41.51 23.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.141 -176.642 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 42.2 tp -63.46 -36.43 83.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.281 178.863 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 94.3 m-20 -70.32 -50.37 39.92 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.179 173.667 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 33.3 t -55.83 -35.43 66.37 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.218 178.704 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 64.2 tp -56.55 -45.75 81.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.29 172.742 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 90.6 mtm180 -74.71 -20.5 59.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.241 178.696 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 94.5 mt -88.47 -8.03 55.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.232 178.638 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 78.9 m-20 64.86 35.09 8.72 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.208 -179.34 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 39.1 mmtm -111.24 149.8 41.09 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.229 177.357 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_exo -56.99 147.38 74.85 Favored 'Trans proline' 0 N--CA 1.458 -0.594 0 C-N-CA 121.71 1.607 . . . . 0.0 111.216 -175.208 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 33.4 mt -111.89 97.51 6.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.177 -167.782 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 133' ' ' ILE . . . . . 0.42 ' HB ' HG12 ' A' ' 114' ' ' ILE . 89.4 mt -101.81 125.61 55.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.215 176.805 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 134' ' ' VAL . . . . . 0.471 HG22 HG13 ' A' ' 122' ' ' ILE . 93.9 t -118.61 106.82 20.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.166 -174.714 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 135' ' ' CYS . . . . . . . . . . . . . 50.5 t -99.91 112.65 24.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.223 178.552 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 46.6 t -140.22 130.81 29.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.179 -179.033 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 11.4 t-20 -70.34 167.51 17.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.167 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 98.8 m-20 -69.74 -34.97 74.56 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.201 -179.656 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 96.9 p -81.38 -15.45 55.2 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.162 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 94.5 mt -97.15 -27.73 14.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.193 -178.717 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 141' ' ' MET . . . . . 0.402 ' HG2' ' HG3' ' A' ' 146' ' ' GLN . 54.8 ttm -75.58 125.34 28.85 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.228 -174.754 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 18.5 t0 -79.84 169.95 17.19 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.24 -178.156 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 99.4 m-20 -57.54 -49.92 74.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.183 -175.778 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 144' ' ' HIS . . . . . . . . . . . . . 85.9 t60 -60.47 -41.81 94.96 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.182 176.284 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 145' ' ' GLN . . . . . . . . . . . . . 91.3 mt-30 -65.93 -30.47 71.06 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.199 -178.17 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 146' ' ' GLN . . . . . 0.402 ' HG3' ' HG2' ' A' ' 141' ' ' MET . 74.6 mt-30 -72.78 -35.78 67.47 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.204 176.467 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 147' ' ' GLN . . . . . . . . . . . . . 88.2 mt-30 -66.89 -37.96 85.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.201 178.871 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 148' ' ' ILE . . . . . . . . . . . . . 38.3 pt -88.8 -14.7 9.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.219 -178.578 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -65.06 -34.79 79.27 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.201 170.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 99.8 m-20 -66.13 -34.84 78.97 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.186 172.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 151' ' ' LYS . . . . . . . . . . . . . 96.2 mttt -69.96 -36.28 75.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.271 176.804 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 152' ' ' PHE . . . . . . . . . . . . . 19.9 m-30 -59.91 -29.17 68.18 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.172 -178.137 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 153' ' ' VAL . . . . . . . . . . . . . 74.6 t -53.83 -40.06 42.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.22 -177.329 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 95.0 mt-10 -120.0 -4.84 10.08 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.205 -172.475 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 155' ' ' LEU . . . . . . . . . . . . . 52.2 tp -55.45 -53.76 52.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.256 -176.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . 105.13 -30.73 9.48 Favored Glycine 0 CA--C 1.524 0.636 0 N-CA-C 111.203 -0.759 . . . . 0.0 111.203 175.54 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 157' ' ' TYR . . . . . . . . . . . . . 28.5 m-85 -87.62 -53.04 5.0 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.782 0.325 . . . . 0.0 111.192 176.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 158' ' ' VAL . . . . . . . . . . . . . 50.0 t -108.75 134.91 49.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.197 -178.934 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 159' ' ' TRP . . . . . . . . . . . . . 13.4 m-90 -118.87 132.34 56.1 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.16 -178.382 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 160' ' ' SER . . . . . . . . . . . . . 30.6 t -85.81 126.58 34.13 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.218 178.574 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 161' ' ' CYS . . . . . . . . . . . . . 34.0 m -133.34 170.19 15.83 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.197 179.738 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -119.58 149.0 47.16 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.234 178.673 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 163' ' ' PRO . . . . . . . . . . . . . 86.3 Cg_endo -78.52 62.85 8.35 Favored 'Trans proline' 0 N--CA 1.458 -0.601 0 C-N-CA 121.719 1.613 . . . . 0.0 111.208 -179.498 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 164' ' ' THR . . . . . . . . . . . . . 10.6 p -133.89 -179.99 5.89 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.223 179.149 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 165' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -64.37 -17.23 63.54 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.146 177.798 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 166' ' ' THR . . . . . . . . . . . . . 74.9 p -114.63 -32.11 5.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.158 -171.321 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 167' ' ' GLY . . . . . . . . . . . . . . . -72.92 -38.13 56.3 Favored Glycine 0 CA--C 1.524 0.619 0 N-CA-C 111.181 -0.767 . . . . 0.0 111.181 -179.273 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 168' ' ' LEU . . . . . . . . . . . . . 91.5 mt -65.57 -36.54 84.07 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.78 0.324 . . . . 0.0 111.179 178.187 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 94.6 mt -71.62 -39.71 70.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.186 173.703 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 170' ' ' ALA . . . . . . . . . . . . . . . -57.26 -34.89 69.08 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.192 178.808 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 171' ' ' GLY . . . . . . . . . . . . . . . -63.35 -43.19 98.73 Favored Glycine 0 CA--C 1.523 0.567 0 N-CA-C 111.201 -0.76 . . . . 0.0 111.201 178.167 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 97.7 mt -64.88 -37.78 88.77 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.807 0.336 . . . . 0.0 111.172 177.855 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 173' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -78.82 -27.35 44.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.219 -179.658 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -65.63 -34.82 79.12 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.24 -179.798 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 59.7 p -64.98 -24.95 67.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.178 177.485 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 176' ' ' GLN . . . . . . . . . . . . . 66.5 tt0 -85.77 -41.9 14.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.221 178.254 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 177' ' ' THR . . . . . . . . . . . . . 89.1 m -65.89 -58.44 5.57 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.288 -177.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 178' ' ' GLU . . . . . . . . . . . . . 76.1 mm-40 -110.06 89.94 3.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.148 176.022 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 179' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -71.84 148.8 45.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.231 -172.237 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 180' ' ' LEU . . . . . 0.484 ' C ' HD23 ' A' ' 180' ' ' LEU . 8.2 tt -72.08 99.94 2.41 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.203 177.358 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 181' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -115.17 152.08 46.37 Favored Pre-proline 0 C--N 1.327 -0.386 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.222 -174.072 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 182' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_endo -67.75 145.42 69.15 Favored 'Trans proline' 0 N--CA 1.458 -0.562 0 C-N-CA 121.694 1.596 . . . . 0.0 111.256 178.625 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 183' ' ' PHE . . . . . . . . . . . . . 14.5 m-30 -105.2 156.31 36.4 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.224 -179.025 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 184' ' ' PRO . . . . . . . . . . . . . 50.4 Cg_exo -54.79 159.92 8.35 Favored 'Trans proline' 0 N--CA 1.458 -0.599 0 C-N-CA 121.698 1.599 . . . . 0.0 111.218 176.428 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 185' ' ' VAL . . . . . . . . . . . . . 33.6 m -66.49 -18.49 24.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.154 -176.723 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 186' ' ' SER . . . . . . . . . . . . . 98.8 p -84.83 -15.07 46.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.158 175.287 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 187' ' ' HIS . . . . . . . . . . . . . 80.9 m80 -110.78 -3.61 15.67 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.172 -178.049 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 188' ' ' ASN . . . . . 0.442 ' HB2' ' HD3' ' A' ' 189' ' ' PRO . 90.9 m-20 -69.12 -50.85 19.53 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.191 176.171 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 189' ' ' PRO . . . . . 0.442 ' HD3' ' HB2' ' A' ' 188' ' ' ASN . 85.9 Cg_endo -77.32 -19.73 13.12 Favored 'Trans proline' 0 N--CA 1.459 -0.551 0 C-N-CA 121.769 1.646 . . . . 0.0 111.168 179.148 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 190' ' ' SER . . . . . . . . . . . . . 49.5 m -76.14 -37.54 57.89 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.12 172.174 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 191' ' ' PHE . . . . . . . . . . . . . 63.3 t80 -70.26 -35.86 74.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.238 173.823 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 192' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -52.71 -38.53 60.87 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.2 172.915 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 193' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -67.18 -28.63 68.26 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.2 176.693 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 194' ' ' LEU . . . . . . . . . . . . . 96.3 mt -79.04 -29.5 43.59 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.192 177.266 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 195' ' ' LEU . . . . . . . . . . . . . 80.8 mt -65.19 -43.01 93.01 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.246 178.408 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 196' ' ' VAL . . . . . 0.402 ' HA ' ' HB3' ' A' ' 200' ' ' TYR . 31.7 m -79.22 -13.6 13.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.198 179.239 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 197' ' ' GLU . . . . . . . . . . . . . 77.0 tt0 -86.42 -44.88 11.67 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.198 176.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 198' ' ' THR . . . . . . . . . . . . . 80.4 p -99.06 -28.76 13.24 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.189 -165.424 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 199' ' ' ILE . . . . . . . . . . . . . 85.5 mt -108.48 -60.66 2.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.118 -174.056 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 200' ' ' TYR . . . . . 0.471 ' O ' ' O ' ' A' ' 201' ' ' SER . 85.9 t80 -60.11 -50.05 75.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.182 -174.789 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 201' ' ' SER . . . . . 0.471 ' O ' ' O ' ' A' ' 200' ' ' TYR . 57.1 m . . . . . 0 C--O 1.2 -1.551 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.191 178.457 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.601 0 N-CA-C 111.223 -0.751 . . . . 0.0 111.223 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . 0.485 HG13 HG23 ' A' ' 3' ' ' ILE . 41.9 pt -125.02 -0.52 5.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.777 0.322 . . . . 0.0 111.197 -175.508 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.485 HG23 HG13 ' A' ' 2' ' ' ILE . 43.3 pt -128.28 6.5 3.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.154 177.813 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 52.2 mt-10 -83.01 -24.08 33.01 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.151 -178.203 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 72.5 mm-40 -119.92 175.3 5.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.218 -178.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 36.4 tptt -50.26 109.83 0.34 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.171 -177.651 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -116.99 126.05 52.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.209 -171.577 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 52.9 tp -99.36 121.84 41.67 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.169 172.81 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 73.6 t80 -99.63 120.06 39.08 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.164 177.753 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 88.7 t -113.62 127.91 70.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.243 178.002 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 10.1 t -138.57 146.56 41.97 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.187 177.68 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 68.7 m -104.81 155.46 18.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.196 178.885 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -79.29 -177.62 50.19 Favored Glycine 0 CA--C 1.523 0.574 0 N-CA-C 111.258 -0.737 . . . . 0.0 111.258 -179.689 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -89.68 -4.67 57.64 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.799 0.333 . . . . 0.0 111.207 -176.22 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 71.8 p -112.12 5.0 18.32 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.174 -177.136 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 27.1 m -125.3 155.65 71.16 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.236 179.697 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 55.3 Cg_endo -69.46 138.43 38.76 Favored 'Trans proline' 0 N--CA 1.457 -0.641 0 C-N-CA 121.753 1.635 . . . . 0.0 111.251 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . 0.495 ' HB2' ' HD3' ' A' ' 19' ' ' PRO . 29.6 m-85 -80.88 -57.18 0.6 Allowed Pre-proline 0 C--N 1.328 -0.334 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.17 -175.577 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.495 ' HD3' ' HB2' ' A' ' 18' ' ' PHE . 37.7 Cg_endo -70.0 -24.98 27.97 Favored 'Trans proline' 0 N--CA 1.458 -0.579 0 C-N-CA 121.688 1.592 . . . . 0.0 111.212 -171.514 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -74.17 -30.86 62.45 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.153 179.197 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 96.9 mt -86.42 -19.73 29.22 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.173 177.394 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 46.5 t -66.58 -40.0 85.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.173 170.365 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 57.0 p -65.93 -20.02 66.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.242 -178.311 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 90.9 m -86.34 -14.91 42.16 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.21 -176.809 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 30.5 m -114.16 -2.93 10.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.233 -178.78 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 84.1 mt -103.71 11.99 35.26 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.17 170.526 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 4.1 t -60.68 144.09 52.81 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.144 175.035 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 87.9 m-20 -60.17 -39.29 85.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.165 175.867 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -76.95 -36.71 56.32 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.205 -178.879 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 55.7 t80 -57.0 -50.16 73.56 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.239 174.383 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 90.3 m -75.21 -30.07 60.51 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.185 -176.753 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 66.5 tt0 -56.67 -50.83 70.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.221 174.132 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -76.76 -29.11 55.98 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.14 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.402 ' HG ' ' HB2' ' A' ' 39' ' ' PHE . 45.2 tp -53.0 -44.28 67.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.213 173.73 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 97.5 mt -60.75 -40.02 83.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.181 172.462 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 88.6 mt-30 -70.26 -16.15 63.0 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.218 -178.757 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 27.6 m-85 -95.88 1.7 53.19 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.171 176.443 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 93.86 10.2 59.03 Favored Glycine 0 CA--C 1.523 0.584 0 N-CA-C 111.17 -0.772 . . . . 0.0 111.17 168.217 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.402 ' HB2' ' HG ' ' A' ' 34' ' ' LEU . 84.2 m-85 -94.23 134.15 37.0 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.785 0.326 . . . . 0.0 111.269 -178.268 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 35.1 m -126.62 -16.12 3.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.164 -176.034 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 11.6 mpt_? -112.87 128.59 56.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.212 171.134 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 63.7 tp -119.15 105.01 10.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.218 175.773 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 91.8 mt -106.14 116.92 50.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.207 -177.637 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 80.6 mt -119.01 121.41 66.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.255 -174.023 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 19.6 tm0? -94.03 138.4 32.16 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.186 178.229 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 44.9 p90 -142.81 155.06 44.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.217 176.757 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -58.8 -61.86 6.9 Favored Glycine 0 CA--C 1.523 0.57 0 N-CA-C 111.271 -0.732 . . . . 0.0 111.271 -168.259 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 40.1 ptt180 -167.98 140.72 3.14 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.81 0.338 . . . . 0.0 111.22 -179.088 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 95.3 m-20 55.32 38.24 30.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.209 166.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 52.0 m-85 -113.67 18.06 17.76 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.094 171.782 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 76.9 p -75.91 -14.13 60.26 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.238 178.908 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 90.8 p -64.96 -25.76 68.01 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.17 177.377 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 77.2 mm-40 -69.17 -29.97 68.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.179 174.187 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 49.1 m-85 -78.92 -32.21 45.54 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.192 176.649 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -66.82 -39.19 87.62 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.159 173.636 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 65.0 m170 -60.01 -43.4 95.25 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.212 174.4 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 39.6 tp -56.7 -60.42 3.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.203 175.218 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 5.2 p -69.02 -26.58 32.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.258 -169.212 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 71.9 tp60 -71.67 -45.91 60.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.167 178.848 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -71.77 -34.83 69.78 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.183 -178.562 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 11.9 mpt_? -80.04 -27.45 39.42 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.144 -179.627 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 85.02 43.15 6.81 Favored Glycine 0 CA--C 1.523 0.565 0 N-CA-C 111.236 -0.746 . . . . 0.0 111.236 175.25 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -103.62 -164.98 25.28 Favored Glycine 0 CA--C 1.524 0.623 0 N-CA-C 111.171 -0.771 . . . . 0.0 111.171 -179.099 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 97.1 mm-40 -110.6 161.96 15.2 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.859 0.361 . . . . 0.0 111.171 176.821 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 32.9 ptt-85 -149.76 150.01 31.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.228 -178.501 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 37.3 tt0 -167.73 137.2 2.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.173 175.177 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 32.9 t -90.98 130.63 36.88 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.241 175.618 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 86.6 mt-30 -130.46 142.25 50.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.222 -179.272 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -71.61 129.94 39.96 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.224 177.831 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 49.3 mm -83.07 123.81 77.14 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.241 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . 0.405 ' HB2' ' HB3' ' A' ' 74' ' ' GLN . 74.3 Cg_exo -55.44 130.04 38.4 Favored 'Trans proline' 0 N--CA 1.458 -0.601 0 C-N-CA 121.692 1.595 . . . . 0.0 111.147 -179.561 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 96.8 mt -75.74 -39.14 38.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.221 174.02 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 99.4 m-20 -62.73 -40.34 96.89 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.193 -178.913 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . 0.405 ' HB3' ' HB2' ' A' ' 71' ' ' PRO . 64.2 tt0 -85.04 -57.68 3.0 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.246 -178.072 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 77.1 m-85 -89.99 -59.16 2.27 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.187 -175.925 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 120.73 -21.11 8.56 Favored Glycine 0 CA--C 1.524 0.6 0 N-CA-C 111.141 -0.784 . . . . 0.0 111.141 -178.218 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 98.5 m -75.27 142.42 43.33 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.801 0.334 . . . . 0.0 111.229 176.479 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -108.15 5.05 33.77 Favored Glycine 0 CA--C 1.523 0.575 0 N-CA-C 111.186 -0.766 . . . . 0.0 111.186 -173.607 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 44.0 p30 -88.79 -174.68 4.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.788 0.328 . . . . 0.0 111.194 -176.86 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 69.6 p -123.56 74.13 1.24 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.266 -177.745 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -57.01 144.92 32.2 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.205 -174.775 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 77.5 mtp180 -98.73 122.86 42.49 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.193 -174.311 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 28.5 tt0 -90.07 129.98 36.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.143 179.009 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 86.2 m-85 -125.09 142.35 51.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.148 173.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 89.3 t -92.92 124.91 45.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.242 177.305 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 31.1 tp -136.68 145.34 44.64 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.153 -176.525 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 82.4 mmm 69.98 32.23 3.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.233 -179.138 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 96.2 m-20 64.98 28.43 12.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.221 177.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 89.57 9.53 66.51 Favored Glycine 0 CA--C 1.523 0.556 0 N-CA-C 111.183 -0.767 . . . . 0.0 111.183 175.29 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -72.56 -24.97 61.19 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.834 0.349 . . . . 0.0 111.204 177.535 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.493 ' C ' HD12 ' A' ' 91' ' ' LEU . 4.7 pp -149.03 160.42 43.34 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.186 171.527 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 83.5 mttt -106.29 144.74 32.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.145 177.486 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 80.5 t -115.55 114.93 47.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.128 174.616 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 31.8 mm -110.78 111.99 38.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.261 -175.791 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -88.81 128.92 9.37 Favored Glycine 0 CA--C 1.524 0.6 0 N-CA-C 111.166 -0.773 . . . . 0.0 111.166 179.224 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 25.9 m-85 -112.24 122.88 48.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.822 0.344 . . . . 0.0 111.182 177.048 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 43.5 t0 -103.79 94.91 5.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.239 177.136 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 37.7 p90 -167.03 179.88 4.98 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.194 175.06 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 93.5 p -84.99 -128.15 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.22 -174.763 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 80.9 p -111.88 1.3 16.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.196 -177.9 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -71.82 -33.27 68.37 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.174 -170.347 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 72.0 mtm -116.33 16.17 15.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.215 -168.891 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 77.7 mt-30 -74.93 -35.04 62.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.22 -178.3 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 73.7 m -64.03 -31.41 72.59 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.173 178.691 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 94.5 mt -59.44 -46.98 92.27 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.205 178.496 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 49.6 mm -77.57 -36.76 23.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.179 -176.76 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 88.3 mtm-85 -60.01 -37.21 79.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.15 177.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -62.22 -30.08 70.84 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.216 175.455 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' TYR . . . . . . . . . . . . . 19.4 m-30 -92.96 -18.49 22.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.217 -174.834 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 74.8 p -74.15 172.13 12.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.146 -175.242 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 48.1 m-20 -112.12 -32.02 6.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.135 175.064 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 60.1 tp -139.5 136.43 34.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.186 174.588 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 85.7 t -114.04 122.67 68.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.205 -176.321 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 114' ' ' ILE . . . . . 0.459 HG12 ' HB ' ' A' ' 133' ' ' ILE . 92.9 mt -107.92 123.76 63.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.232 167.503 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 15.4 t -130.37 -176.6 4.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.191 177.848 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 73.7 m80 -133.5 145.05 49.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.201 -176.73 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -55.25 134.32 49.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.184 178.938 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 110.67 40.69 1.3 Allowed Glycine 0 CA--C 1.522 0.519 0 N-CA-C 111.212 -0.755 . . . . 0.0 111.212 -179.571 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 119' ' ' THR . . . . . 0.655 ' O ' ' C ' ' A' ' 120' ' ' GLY . 12.9 t -173.87 24.59 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.822 0.344 . . . . 0.0 111.211 175.897 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . 0.655 ' C ' ' O ' ' A' ' 119' ' ' THR . . . 3.45 63.86 0.0 OUTLIER Glycine 0 CA--C 1.523 0.564 0 N-CA-C 111.176 -0.77 . . . . 0.0 111.176 -174.571 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . 0.63 ' N ' ' O ' ' A' ' 119' ' ' THR . 80.6 p -93.22 3.64 55.32 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.778 0.323 . . . . 0.0 111.221 177.905 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 122' ' ' ILE . . . . . . . . . . . . . 35.3 pt -67.38 -19.9 25.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.111 -172.613 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 64.1 tp -56.56 -46.03 80.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.113 -173.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 74.5 m-20 -59.95 -59.78 4.88 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.141 -173.563 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 10.4 t -54.55 -36.48 64.36 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.206 -179.13 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 4.0 mp -63.51 -51.13 66.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.212 176.644 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 20.1 ptt180 -74.88 -15.02 60.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.192 -175.749 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 97.9 mt -92.52 -7.43 47.35 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.184 178.701 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 84.0 m-20 64.43 35.04 9.84 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.221 -176.618 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 94.3 mttt -109.71 149.91 40.56 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.173 -178.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 38.5 Cg_endo -64.04 138.41 62.08 Favored 'Trans proline' 0 N--CA 1.458 -0.562 0 C-N-CA 121.639 1.559 . . . . 0.0 111.179 177.005 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 65.2 tp -128.5 126.16 39.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.15 -171.679 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 133' ' ' ILE . . . . . 0.459 ' HB ' HG12 ' A' ' 114' ' ' ILE . 62.0 mt -107.99 125.96 64.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.252 171.085 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 97.5 t -125.04 128.45 73.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.173 179.138 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 135' ' ' CYS . . . . . . . . . . . . . 95.9 m -89.07 124.94 34.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.265 175.038 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 97.2 t -94.07 114.39 30.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.183 -177.798 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 27.2 p30 -105.21 -172.8 2.16 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.184 -174.344 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 68.1 m-20 -109.77 25.15 12.12 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.173 -174.416 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 28.9 p -93.64 -5.03 49.6 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.238 170.35 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 78.8 mt -79.14 159.21 27.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.157 179.312 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 141' ' ' MET . . . . . . . . . . . . . 99.3 mmm -69.89 150.64 46.56 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.229 -179.913 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 142' ' ' ASP . . . . . 0.58 ' O ' ' HB2' ' A' ' 143' ' ' ASN . 95.7 m-20 -59.88 140.01 56.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.166 179.239 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 143' ' ' ASN . . . . . 0.58 ' HB2' ' O ' ' A' ' 142' ' ' ASP . 77.2 m-20 79.58 -64.87 0.21 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.237 -176.145 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 144' ' ' HIS . . . . . . . . . . . . . 18.3 t-160 -51.09 -37.1 43.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.202 177.892 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 145' ' ' GLN . . . . . . . . . . . . . 58.8 tt0 -49.22 -50.61 37.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.173 176.499 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 146' ' ' GLN . . . . . . . . . . . . . 73.0 tp60 -70.33 -36.65 74.38 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.203 -179.443 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 147' ' ' GLN . . . . . . . . . . . . . 89.1 mt-30 -63.75 -36.02 82.5 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.19 -177.087 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 148' ' ' ILE . . . . . . . . . . . . . 86.2 mt -64.02 -46.99 92.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.198 178.399 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -65.17 -36.75 85.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.196 176.467 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 95.1 m-20 -65.06 -35.07 79.98 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.193 178.563 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 151' ' ' LYS . . . . . 0.45 ' HB3' HG12 ' A' ' 199' ' ' ILE . 70.0 mmtt -77.6 -28.42 51.53 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.237 -179.661 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 152' ' ' PHE . . . . . . . . . . . . . 16.0 m-30 -61.44 -36.44 80.4 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.204 169.244 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 153' ' ' VAL . . . . . . . . . . . . . 79.3 t -75.01 -45.32 43.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.246 178.308 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 94.3 mt-10 -63.09 -34.51 77.76 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.207 178.585 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 155' ' ' LEU . . . . . 0.417 HD13 HD22 ' A' ' 195' ' ' LEU . 46.2 tp -67.63 -48.25 67.26 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.216 172.071 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . 85.42 10.22 77.64 Favored Glycine 0 CA--C 1.524 0.629 0 N-CA-C 111.222 -0.751 . . . . 0.0 111.222 168.684 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 157' ' ' TYR . . . . . . . . . . . . . 79.5 m-85 -124.98 3.57 8.02 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.775 0.321 . . . . 0.0 111.163 -179.196 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 158' ' ' VAL . . . . . . . . . . . . . 58.8 t -123.94 125.0 70.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.232 177.719 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 159' ' ' TRP . . . . . . . . . . . . . 95.4 m95 -82.74 133.3 35.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.189 179.393 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 160' ' ' SER . . . . . . . . . . . . . 40.5 t -102.31 109.28 20.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.169 178.502 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 161' ' ' CYS . . . . . . . . . . . . . 78.6 m -125.04 -175.22 3.24 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.216 -175.165 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -100.11 146.43 31.92 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.262 178.195 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 163' ' ' PRO . . . . . . . . . . . . . 89.3 Cg_endo -77.24 64.79 7.92 Favored 'Trans proline' 0 N--CA 1.457 -0.636 0 C-N-CA 121.801 1.667 . . . . 0.0 111.143 179.723 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 164' ' ' THR . . . . . . . . . . . . . 14.6 t -162.49 175.77 11.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.151 179.557 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 165' ' ' GLU . . . . . . . . . . . . . 89.3 tt0 -53.99 -45.95 71.57 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.156 -175.804 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 166' ' ' THR . . . . . . . . . . . . . 95.0 m -64.55 -48.9 73.32 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.177 -176.701 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 167' ' ' GLY . . . . . . . . . . . . . . . -66.21 -35.2 90.06 Favored Glycine 0 CA--C 1.523 0.571 0 N-CA-C 111.224 -0.75 . . . . 0.0 111.224 -177.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 168' ' ' LEU . . . . . . . . . . . . . 64.6 mt -69.36 -45.2 69.96 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.846 0.355 . . . . 0.0 111.229 -176.256 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 9.4 tp -75.11 -27.12 19.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.219 178.465 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 170' ' ' ALA . . . . . . . . . . . . . . . -69.55 -35.54 75.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.22 174.179 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 171' ' ' GLY . . . . . . . . . . . . . . . -63.63 -42.2 98.83 Favored Glycine 0 CA--C 1.524 0.609 0 N-CA-C 111.209 -0.757 . . . . 0.0 111.209 175.532 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 62.7 mt -61.4 -42.65 99.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.859 0.361 . . . . 0.0 111.195 175.698 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 173' ' ' ARG . . . . . . . . . . . . . 37.0 ttm180 -57.51 -46.41 83.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.202 174.511 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -64.99 -40.26 94.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.255 -177.382 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 60.7 p -65.05 -24.93 67.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.217 -178.18 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 176' ' ' GLN . . . . . . . . . . . . . 87.5 mm-40 -99.66 -18.56 17.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.162 -179.183 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 177' ' ' THR . . . . . . . . . . . . . 81.7 m -72.6 -46.3 54.88 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.252 175.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 178' ' ' GLU . . . . . . . . . . . . . 93.8 mt-10 -121.71 140.7 51.98 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.217 179.625 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 179' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -91.96 129.88 37.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.23 -178.225 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 180' ' ' LEU . . . . . . . . . . . . . 86.3 mt -95.1 154.97 16.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.167 176.256 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 181' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -122.25 163.08 34.16 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.195 -174.504 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 182' ' ' PRO . . . . . . . . . . . . . 68.7 Cg_exo -53.48 148.75 33.02 Favored 'Trans proline' 0 N--CA 1.458 -0.588 0 C-N-CA 121.714 1.609 . . . . 0.0 111.193 178.103 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 183' ' ' PHE . . . . . . . . . . . . . 38.9 m-85 -77.78 144.49 68.88 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.198 -171.442 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 184' ' ' PRO . . . . . . . . . . . . . 50.1 Cg_exo -54.46 -35.07 84.05 Favored 'Trans proline' 0 N--CA 1.457 -0.625 0 C-N-CA 121.692 1.595 . . . . 0.0 111.171 172.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 185' ' ' VAL . . . . . . . . . . . . . 89.2 t -70.91 129.39 34.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.161 179.083 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 186' ' ' SER . . . . . . . . . . . . . 84.0 p -117.11 4.61 12.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.217 -176.061 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 187' ' ' HIS . . . . . . . . . . . . . 91.4 m-70 -119.98 138.41 53.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.159 -178.401 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 188' ' ' ASN . . . . . 0.577 ' HB2' ' HD3' ' A' ' 189' ' ' PRO . 99.5 m-20 -66.85 -46.25 54.95 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.168 -177.511 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 189' ' ' PRO . . . . . 0.577 ' HD3' ' HB2' ' A' ' 188' ' ' ASN . 52.2 Cg_exo -55.11 -37.65 93.94 Favored 'Trans proline' 0 N--CA 1.457 -0.627 0 C-N-CA 121.713 1.608 . . . . 0.0 111.189 176.135 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 190' ' ' SER . . . . . . . . . . . . . 67.3 m -69.9 -40.63 75.5 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.167 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 191' ' ' PHE . . . . . . . . . . . . . 21.4 m-85 -54.75 -44.39 73.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.176 174.589 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 192' ' ' GLU . . . . . . . . . . . . . 89.2 tt0 -65.88 -45.95 80.16 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.193 179.608 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 193' ' ' ARG . . . . . . . . . . . . . 36.0 mmt180 -99.99 -49.95 4.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.189 -165.579 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 194' ' ' LEU . . . . . . . . . . . . . 4.9 tt -58.8 -52.55 65.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.227 -179.904 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 195' ' ' LEU . . . . . 0.417 HD22 HD13 ' A' ' 155' ' ' LEU . 88.3 mt -96.88 -64.29 1.06 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.218 -171.591 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 196' ' ' VAL . . . . . . . . . . . . . 55.7 t -66.4 -47.44 83.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.209 -166.134 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 197' ' ' GLU . . . . . . . . . . . . . 42.2 tt0 -55.6 -40.6 72.28 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.202 179.624 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 198' ' ' THR . . . . . . . . . . . . . 71.0 p -77.82 -24.55 48.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.199 -175.839 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 199' ' ' ILE . . . . . 0.45 HG12 ' HB3' ' A' ' 151' ' ' LYS . 83.8 mt -68.38 -43.92 83.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.183 172.06 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 200' ' ' TYR . . . . . . . . . . . . . 79.5 m-85 -106.47 35.54 2.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.2 179.658 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 201' ' ' SER . . . . . . . . . . . . . 40.9 t . . . . . 0 C--O 1.2 -1.529 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.211 179.377 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.606 0 N-CA-C 111.16 -0.776 . . . . 0.0 111.16 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 98.0 mt -99.93 -55.05 6.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.838 0.352 . . . . 0.0 111.224 -179.212 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 96.8 mt -73.32 -48.02 44.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.163 -178.397 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 75.1 mm-40 -91.11 154.98 18.98 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.172 -176.604 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 17.7 mt-10 -77.58 154.36 32.41 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.188 179.745 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.535 ' HB2' ' HA ' ' A' ' 39' ' ' PHE . 90.8 mttt -67.53 136.52 54.67 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.169 178.773 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -127.87 135.29 49.82 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.183 -174.127 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 97.1 mt -86.4 140.63 29.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.226 167.663 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 47.4 t80 -116.86 102.71 9.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.194 175.39 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 71.6 t -104.81 123.58 58.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.176 -172.316 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 69.8 p -115.32 141.43 48.04 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.267 174.814 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 82.5 m -113.48 144.94 41.99 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.186 -174.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -111.71 168.58 12.82 Favored Glycine 0 CA--C 1.523 0.556 0 N-CA-C 111.214 -0.754 . . . . 0.0 111.214 -179.299 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -87.35 54.76 3.26 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.827 0.346 . . . . 0.0 111.166 -173.133 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . 0.401 ' OG1' ' NE2' ' A' ' 116' ' ' HIS . 29.4 p -128.5 -72.66 0.6 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.182 178.386 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 84.8 t -84.1 133.16 46.0 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.168 172.58 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 86.9 Cg_exo -51.36 141.8 39.48 Favored 'Trans proline' 0 N--CA 1.457 -0.627 0 C-N-CA 121.643 1.562 . . . . 0.0 111.222 -179.418 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . 0.542 ' N ' ' CD ' ' A' ' 19' ' ' PRO . 14.4 m-30 -63.39 -43.13 78.41 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.203 -173.089 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.542 ' CD ' ' N ' ' A' ' 18' ' ' PHE . 71.1 Cg_exo -54.91 -31.99 76.0 Favored 'Trans proline' 0 N--CA 1.459 -0.556 0 C-N-CA 121.636 1.558 . . . . 0.0 111.252 178.441 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -82.09 -24.66 35.06 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.157 -179.909 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 83.4 mt -75.8 -23.91 55.89 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.204 -179.135 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 27.3 m -99.34 -11.34 8.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.217 -176.854 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 72.9 p -63.48 -31.96 73.28 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.244 -178.26 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 26.1 p -80.58 -41.95 23.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.213 178.615 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 1.4 p -74.4 -19.97 17.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.215 -174.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 92.1 mt -100.1 5.41 44.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.171 -178.81 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 55.0 p -68.03 152.66 45.17 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.264 -178.073 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 94.7 m-20 -64.94 -34.96 79.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.222 179.059 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -69.87 -45.67 67.21 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.269 -179.567 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 78.7 t80 -59.65 -49.44 77.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.184 178.858 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 90.1 m -69.13 -39.87 78.63 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.187 -176.006 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 66.8 tt0 -55.74 -41.89 74.58 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.159 176.619 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 65.6 mm-40 -76.44 -38.2 55.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.224 176.793 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 36.7 tp -57.45 -42.53 82.68 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.16 -173.768 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 42.7 pt -73.61 -7.91 10.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.258 -174.811 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 68.4 mt-30 -93.92 -0.67 55.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.166 178.164 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 72.1 m-85 -109.34 -2.46 17.81 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.266 176.285 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 99.56 -5.86 58.8 Favored Glycine 0 CA--C 1.523 0.579 0 N-CA-C 111.224 -0.75 . . . . 0.0 111.224 178.586 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.535 ' HA ' ' HB2' ' A' ' 6' ' ' LYS . 51.8 m-85 -80.73 124.64 29.21 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.888 0.375 . . . . 0.0 111.208 -178.809 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 85.4 t -122.17 -42.23 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.156 -177.713 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 85.9 mtt180 -91.26 137.95 31.97 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.185 -172.082 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 56.7 tp -129.48 109.24 10.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.224 -176.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 3.0 mp -94.65 106.25 17.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.14 179.167 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 45.6 mm -101.99 102.39 13.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.171 -179.715 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 21.4 tm0? -77.53 127.7 32.95 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.197 174.02 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 47.3 p90 -155.05 158.66 39.43 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.178 171.879 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -111.09 -5.51 26.79 Favored Glycine 0 CA--C 1.524 0.629 0 N-CA-C 111.15 -0.78 . . . . 0.0 111.15 178.723 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -101.9 124.13 47.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.853 0.359 . . . . 0.0 111.231 -179.606 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 56.5 t30 -77.37 68.52 3.49 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.214 -175.782 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 53.8 p90 -98.6 30.49 3.24 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.193 167.917 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 91.5 p -66.36 -15.44 63.27 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.146 -173.42 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 87.5 p -65.12 -25.04 67.6 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.192 175.154 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 77.2 mm-40 -71.16 -35.17 71.54 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.163 176.343 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 52.2 m-85 -65.47 -38.77 90.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.214 171.712 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.441 ' HG3' ' HE ' ' A' ' 65' ' ' ARG . 79.0 tt0 -66.99 -36.58 82.48 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.15 178.121 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 34.7 m-70 -70.1 -30.0 67.11 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.192 175.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 57.3 tp -64.55 -46.77 81.38 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.2 179.182 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 28.1 m -72.29 -23.99 21.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.212 -179.515 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 82.6 mt-30 -68.51 -38.73 81.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.179 172.704 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -68.6 -32.3 72.09 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.224 177.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 74.7 mmt-85 -95.0 -16.58 22.64 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.238 -174.037 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 82.7 32.2 27.84 Favored Glycine 0 CA--C 1.523 0.575 0 N-CA-C 111.228 -0.749 . . . . 0.0 111.228 176.193 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -102.81 -164.67 26.02 Favored Glycine 0 CA--C 1.522 0.528 0 N-CA-C 111.216 -0.753 . . . . 0.0 111.216 -179.509 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 95.4 mm-40 -119.72 177.39 4.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.811 0.339 . . . . 0.0 111.151 179.834 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.441 ' HE ' ' HG3' ' A' ' 55' ' ' GLU . 0.0 OUTLIER -167.03 150.08 6.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.176 178.401 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 41.3 tt0 -152.83 131.96 12.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.179 -177.593 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 35.3 t -78.75 131.17 36.46 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.205 172.697 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 84.9 mt-30 -136.56 145.01 44.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.202 -175.352 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -84.73 124.98 32.13 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.258 172.908 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.486 ' HB ' ' HB2' ' A' ' 77' ' ' CYS . 48.0 mm -112.39 134.82 21.47 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.273 -171.561 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 76.9 Cg_exo -55.44 155.52 20.49 Favored 'Trans proline' 0 N--CA 1.457 -0.62 0 C-N-CA 121.68 1.586 . . . . 0.0 111.239 -176.375 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 96.6 mt -93.09 -47.35 13.77 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.235 176.748 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 99.5 m-20 -64.97 -43.27 93.17 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.147 -177.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 61.9 tp60 -78.17 -31.87 49.88 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.207 -176.163 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 95.7 m-85 -124.93 -59.96 1.39 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.189 -174.507 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 119.98 23.21 3.06 Favored Glycine 0 CA--C 1.523 0.552 0 N-CA-C 111.208 -0.757 . . . . 0.0 111.208 179.587 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' CYS . . . . . 0.486 ' HB2' ' HB ' ' A' ' 70' ' ' ILE . 66.4 m -115.1 165.96 12.34 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.766 0.317 . . . . 0.0 111.202 -172.168 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -104.3 -140.44 10.54 Favored Glycine 0 CA--C 1.523 0.588 0 N-CA-C 111.196 -0.762 . . . . 0.0 111.196 175.859 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 52.8 p-10 -106.61 22.94 15.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.823 0.344 . . . . 0.0 111.192 178.724 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . 0.432 ' HB ' ' HB3' ' A' ' 97' ' ' ASP . 68.2 p -115.65 38.46 3.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.155 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -109.95 138.27 46.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.175 174.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 82.9 mtp180 -128.96 122.0 29.22 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.229 -177.766 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 63.9 tt0 -87.33 135.62 33.25 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.118 -179.89 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 95.1 m-85 -129.54 132.71 46.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.218 -177.635 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 96.0 t -103.55 117.92 49.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.187 -174.689 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 80.7 mt -129.61 167.55 17.78 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.157 -177.155 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 94.7 mmm 59.63 30.43 20.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.16 177.225 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 96.4 m-20 64.97 33.76 9.51 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.201 178.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 95.45 -2.16 64.89 Favored Glycine 0 CA--C 1.523 0.551 0 N-CA-C 111.238 -0.745 . . . . 0.0 111.238 176.164 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 99.7 mttt -83.6 -14.63 51.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.831 0.348 . . . . 0.0 111.21 -178.902 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.432 ' HG ' HG23 ' A' ' 93' ' ' VAL . 39.4 tp -126.02 126.21 43.91 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.218 178.634 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -112.13 92.57 4.08 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.242 -179.093 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . 0.432 HG23 ' HG ' ' A' ' 91' ' ' LEU . 99.2 t -97.86 119.65 46.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.218 -177.609 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 72.0 mt -118.74 119.88 62.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.122 179.638 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -87.29 134.61 12.59 Favored Glycine 0 CA--C 1.522 0.497 0 N-CA-C 111.253 -0.739 . . . . 0.0 111.253 178.842 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 96.9 m-85 -120.17 101.58 7.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.801 0.334 . . . . 0.0 111.186 -178.652 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . 0.432 ' HB3' ' HB ' ' A' ' 80' ' ' THR . 55.4 t0 -84.91 75.22 10.39 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.17 -175.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 45.7 p90 -176.17 172.97 2.26 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.142 174.276 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 86.6 p -64.85 -176.88 0.29 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.198 -177.398 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 47.4 p -75.05 70.35 2.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.147 -177.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -97.93 -3.12 39.09 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.2 179.431 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 71.8 mtm -82.15 65.05 7.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.243 -174.285 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 97.7 mm-40 -90.01 -4.86 57.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.257 -169.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 38.3 m -98.3 -38.38 9.28 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.182 173.046 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 90.1 mt -58.57 -48.66 84.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.258 171.613 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 13.1 tt -63.96 -13.88 14.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.232 -175.39 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 78.7 ttt-85 -87.13 -63.66 1.27 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.253 -178.415 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 58.5 m-20 -106.17 -34.77 7.42 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.209 -167.515 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' TYR . . . . . . . . . . . . . 76.5 m-85 -80.4 -41.9 23.75 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.192 -173.251 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 39.4 t -61.76 136.08 57.85 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.219 178.397 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 30.5 m-20 -116.09 -28.37 6.63 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.174 176.136 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 10.0 tt -138.62 130.92 28.6 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.166 172.38 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 84.3 t -95.1 126.65 47.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.212 -173.551 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 114' ' ' ILE . . . . . 0.43 HG12 ' HB ' ' A' ' 133' ' ' ILE . 84.1 mt -121.24 121.53 65.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.164 174.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 40.0 m -127.04 138.37 53.22 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.203 -179.72 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 116' ' ' HIS . . . . . 0.401 ' NE2' ' OG1' ' A' ' 15' ' ' THR . 74.8 t60 -93.58 131.48 38.81 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.204 173.041 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -61.22 126.3 26.86 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.257 179.057 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 121.12 21.6 3.09 Favored Glycine 0 CA--C 1.523 0.533 0 N-CA-C 111.234 -0.746 . . . . 0.0 111.234 -175.772 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 60.3 m -114.61 -48.23 2.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.745 0.307 . . . . 0.0 111.209 -175.441 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 102.07 -39.11 2.88 Favored Glycine 0 CA--C 1.522 0.514 0 N-CA-C 111.252 -0.739 . . . . 0.0 111.252 -177.04 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 82.4 p -70.48 -15.01 62.76 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.771 0.32 . . . . 0.0 111.183 179.669 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 122' ' ' ILE . . . . . . . . . . . . . 19.6 tt -51.13 -30.04 9.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.195 173.463 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 97.4 mt -65.0 -27.97 69.19 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.224 -176.333 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 68.6 m-20 -104.07 -23.32 13.32 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.164 -178.075 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 52.4 p -75.35 -18.05 60.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.222 -176.146 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . 0.423 HD12 HD11 ' A' ' 195' ' ' LEU . 85.4 mt -93.87 -0.48 55.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.229 -178.065 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 51.6 ptt85 -118.1 40.08 3.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.157 178.762 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 90.6 mt -107.67 5.08 26.48 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.196 -176.07 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 96.4 m-20 64.97 35.31 8.3 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.197 -178.393 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 50.8 mttm -127.54 158.2 70.61 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.225 177.062 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_exo -53.82 138.75 68.97 Favored 'Trans proline' 0 N--CA 1.458 -0.614 0 C-N-CA 121.722 1.615 . . . . 0.0 111.255 173.444 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 64.2 mt -122.54 124.46 43.59 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.187 -165.493 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 133' ' ' ILE . . . . . 0.43 ' HB ' HG12 ' A' ' 114' ' ' ILE . 82.7 mt -123.71 129.6 74.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.203 167.93 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 71.9 t -124.91 131.75 72.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.136 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 135' ' ' CYS . . . . . . . . . . . . . 52.7 t -108.25 124.75 50.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.174 179.198 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 28.7 m -78.63 168.86 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.204 -179.812 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 25.2 p30 -120.14 -176.19 3.15 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.206 -174.297 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 70.7 m-20 -95.32 -18.08 21.1 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.232 -174.202 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 66.8 p -75.93 -20.87 57.63 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.246 -178.213 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 92.1 mt -61.48 144.76 53.66 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.248 169.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 141' ' ' MET . . . . . . . . . . . . . 98.9 mtp -72.5 163.1 28.57 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.163 176.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 98.9 m-20 -54.7 -39.53 68.25 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.179 177.335 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 98.7 m-20 -69.51 -34.69 74.64 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.206 177.4 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 144' ' ' HIS . . . . . . . . . . . . . 57.7 m170 -64.11 -50.15 69.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.173 178.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 145' ' ' GLN . . . . . . . . . . . . . 92.7 mt-30 -61.82 -38.33 87.76 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.175 -178.464 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 146' ' ' GLN . . . . . . . . . . . . . 73.0 tp60 -66.54 -51.63 54.5 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.17 179.085 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 147' ' ' GLN . . . . . . . . . . . . . 99.5 mm-40 -73.73 -37.66 65.02 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.182 -172.168 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 148' ' ' ILE . . . . . . . . . . . . . 85.9 mt -64.82 -44.9 96.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.177 179.386 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -63.99 -39.44 94.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.197 177.04 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 93.4 m-20 -66.58 -37.64 85.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.217 178.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 151' ' ' LYS . . . . . . . . . . . . . 96.9 mttt -67.65 -40.63 84.55 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.198 176.749 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 152' ' ' PHE . . . . . . . . . . . . . 12.1 m-30 -59.91 -46.53 89.05 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.228 179.007 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 153' ' ' VAL . . . . . . . . . . . . . 75.3 t -73.63 -41.97 55.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.211 -179.286 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -55.58 -44.29 76.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.189 178.924 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 155' ' ' LEU . . . . . . . . . . . . . 95.4 mt -73.83 -41.43 62.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.128 178.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . 81.17 19.5 66.85 Favored Glycine 0 CA--C 1.523 0.555 0 N-CA-C 111.236 -0.746 . . . . 0.0 111.236 166.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 157' ' ' TYR . . . . . . . . . . . . . 79.8 m-85 -116.63 12.09 14.89 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.768 0.318 . . . . 0.0 111.216 179.126 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 158' ' ' VAL . . . . . . . . . . . . . 9.0 p -160.0 134.12 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.2 178.639 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 159' ' ' TRP . . . . . 0.495 ' HA ' ' CE3' ' A' ' 159' ' ' TRP . 3.7 m95 -79.31 139.99 37.67 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.216 176.511 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 160' ' ' SER . . . . . . . . . . . . . 46.7 t -100.7 110.74 22.88 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.199 177.91 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 161' ' ' CYS . . . . . . . . . . . . . 85.5 m -110.14 149.5 29.98 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.162 -179.415 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -93.6 158.4 36.79 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.188 175.695 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 163' ' ' PRO . . . . . . . . . . . . . 85.5 Cg_endo -74.94 66.1 5.98 Favored 'Trans proline' 0 N--CA 1.458 -0.585 0 C-N-CA 121.687 1.592 . . . . 0.0 111.229 176.863 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 164' ' ' THR . . . . . . . . . . . . . 13.7 t -150.73 179.25 8.36 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.208 -177.02 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 165' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -66.19 -32.5 73.96 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.267 -168.399 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 166' ' ' THR . . . . . . . . . . . . . 75.2 p -106.77 15.96 24.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.176 -176.413 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 167' ' ' GLY . . . . . . . . . . . . . . . -64.67 -51.75 48.95 Favored Glycine 0 CA--C 1.523 0.551 0 N-CA-C 111.21 -0.756 . . . . 0.0 111.21 179.666 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 168' ' ' LEU . . . . . . . . . . . . . 79.3 mt -80.32 -24.08 40.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.817 0.341 . . . . 0.0 111.192 -178.554 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 93.0 mt -64.62 -41.92 93.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.177 175.513 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 170' ' ' ALA . . . . . . . . . . . . . . . -62.53 -44.37 96.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.144 176.636 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 171' ' ' GLY . . . . . . . . . . . . . . . -66.61 -38.78 93.55 Favored Glycine 0 CA--C 1.522 0.53 0 N-CA-C 111.153 -0.779 . . . . 0.0 111.153 178.792 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 62.7 tp -63.0 -43.42 98.85 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.761 0.315 . . . . 0.0 111.184 179.095 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 173' ' ' ARG . . . . . . . . . . . . . 97.1 mtt180 -75.19 -28.28 59.95 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.185 178.112 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -64.04 -34.63 78.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.201 177.121 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 75.4 m -61.63 -30.12 70.5 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.214 176.559 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 176' ' ' GLN . . . . . . . . . . . . . 66.6 tt0 -75.2 -39.18 60.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.213 175.572 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 177' ' ' THR . . . . . . . . . . . . . 92.4 m -64.6 -53.82 41.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.235 -179.761 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 178' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -129.25 144.55 51.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.306 176.891 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 179' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -62.12 124.96 22.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.265 -178.759 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 180' ' ' LEU . . . . . . . . . . . . . 66.0 tp -89.37 114.39 25.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.234 -177.36 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 181' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -115.19 152.72 47.04 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.245 -176.135 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 182' ' ' PRO . . . . . . . . . . . . . 70.0 Cg_endo -72.67 164.55 35.26 Favored 'Trans proline' 0 N--CA 1.458 -0.576 0 C-N-CA 121.749 1.632 . . . . 0.0 111.171 178.758 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 183' ' ' PHE . . . . . . . . . . . . . 33.6 m-85 -68.69 137.54 90.51 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.171 175.786 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 184' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_endo -69.66 169.79 17.96 Favored 'Trans proline' 0 N--CA 1.458 -0.581 0 C-N-CA 121.765 1.643 . . . . 0.0 111.178 173.761 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 185' ' ' VAL . . . . . . . . . . . . . 33.3 m -67.67 -16.54 21.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.249 -177.902 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 186' ' ' SER . . . . . . . . . . . . . 95.4 p -80.89 -16.88 52.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.164 178.283 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 187' ' ' HIS . . . . . . . . . . . . . 60.4 m170 -106.92 2.57 25.41 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.175 -176.899 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 188' ' ' ASN . . . . . 0.463 ' HB2' ' HD3' ' A' ' 189' ' ' PRO . 98.4 m-20 -69.92 -50.94 15.85 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.248 173.675 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 189' ' ' PRO . . . . . 0.463 ' HD3' ' HB2' ' A' ' 188' ' ' ASN . 84.9 Cg_endo -76.61 -12.59 18.4 Favored 'Trans proline' 0 N--CA 1.458 -0.578 0 C-N-CA 121.733 1.622 . . . . 0.0 111.156 177.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 190' ' ' SER . . . . . . . . . . . . . 71.1 m -78.1 -5.76 52.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.195 178.209 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 191' ' ' PHE . . . . . . . . . . . . . 17.9 m-30 -63.64 -20.32 65.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.154 176.527 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 192' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -58.18 -49.85 75.58 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.188 175.043 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 193' ' ' ARG . . . . . . . . . . . . . 39.2 mmt180 -89.85 -17.4 28.16 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.203 -175.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 194' ' ' LEU . . . . . . . . . . . . . 62.8 tp -80.73 -57.56 3.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.23 177.721 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 195' ' ' LEU . . . . . 0.423 HD11 HD12 ' A' ' 126' ' ' LEU . 71.3 mt -108.81 -44.88 3.92 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.195 -167.302 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 196' ' ' VAL . . . . . . . . . . . . . 74.7 t -70.81 -40.76 77.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.203 -174.58 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 197' ' ' GLU . . . . . . . . . . . . . 43.8 tt0 -64.2 -41.1 97.21 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.216 179.822 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 198' ' ' THR . . . . . . . . . . . . . 71.0 p -95.65 -56.48 2.67 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.199 -170.543 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 199' ' ' ILE . . . . . . . . . . . . . 95.8 mt -82.34 -50.21 16.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.193 -171.065 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 200' ' ' TYR . . . . . . . . . . . . . 63.7 m-85 -105.77 34.92 3.07 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.214 -172.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 201' ' ' SER . . . . . . . . . . . . . 43.4 t . . . . . 0 C--O 1.2 -1.517 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.191 178.491 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.576 0 N-CA-C 111.169 -0.772 . . . . 0.0 111.169 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 44.8 pt -115.01 15.01 8.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-O 120.766 0.317 . . . . 0.0 111.189 179.852 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 38.7 mm -104.09 127.7 58.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.157 -177.014 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 88.9 tt0 -54.11 140.0 33.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.245 175.074 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 95.2 mt-10 -97.75 80.73 2.81 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.183 -174.355 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -85.25 159.91 19.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.181 166.468 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -100.48 114.1 27.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.201 -171.84 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 49.9 tp -102.45 119.91 39.62 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.218 170.518 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 40.2 t80 -104.68 120.17 40.72 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.174 178.691 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 97.1 t -114.85 128.89 71.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.148 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 11.8 t -138.75 150.2 45.87 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.194 178.776 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 72.4 m -125.11 155.0 40.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.189 -173.824 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -79.24 173.79 55.27 Favored Glycine 0 CA--C 1.524 0.612 0 N-CA-C 111.169 -0.772 . . . . 0.0 111.169 170.914 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -93.37 -9.76 37.62 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.736 0.303 . . . . 0.0 111.152 -178.581 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 98.7 m -65.4 -43.88 89.22 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.189 -177.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 66.1 t -112.68 133.98 21.77 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.17 -178.633 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 88.3 Cg_exo -51.71 142.74 40.11 Favored 'Trans proline' 0 N--CA 1.459 -0.545 0 C-N-CA 121.667 1.578 . . . . 0.0 111.229 -179.194 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . 0.537 ' HB3' ' HD3' ' A' ' 19' ' ' PRO . 81.6 t80 -58.15 -43.82 98.7 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.22 -177.755 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.537 ' HD3' ' HB3' ' A' ' 18' ' ' PHE . 83.0 Cg_exo -53.89 -31.36 62.44 Favored 'Trans proline' 0 N--CA 1.459 -0.532 0 C-N-CA 121.595 1.53 . . . . 0.0 111.224 -179.029 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 97.4 mttt -85.56 -31.66 22.56 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.211 -176.397 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 92.0 mt -82.04 -33.98 29.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.24 -179.294 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 6.6 p -70.96 -17.27 20.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.148 -175.677 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 85.4 p -63.69 -17.21 62.74 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.156 -178.201 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 99.4 m -83.75 -15.01 50.17 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.155 -178.389 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 26.9 m -119.97 12.29 6.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.249 -177.486 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 94.2 mt -108.57 2.3 22.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.188 174.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 3.9 t -60.1 140.0 57.15 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.174 177.282 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 98.1 m-20 -63.24 -35.11 79.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.22 175.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 77.8 mm-40 -75.12 -36.67 61.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.156 177.662 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.412 ' CE2' HD11 ' A' ' 34' ' ' LEU . 82.6 t80 -55.97 -51.09 68.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.206 175.71 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 98.5 m -76.45 -29.06 56.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.19 -176.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 68.9 tp60 -65.1 -31.49 72.72 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.153 177.688 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 69.6 mm-40 -79.7 -38.25 33.91 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.244 179.05 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.412 HD11 ' CE2' ' A' ' 30' ' ' PHE . 36.3 mt -54.54 -41.26 69.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.232 -178.761 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 48.1 pt -76.41 -7.57 10.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.203 -177.168 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 65.6 mt-30 -94.86 -5.67 44.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.258 173.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 30.1 m-85 -110.99 -10.36 14.38 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.179 172.166 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 94.66 33.55 6.69 Favored Glycine 0 CA--C 1.524 0.631 0 N-CA-C 111.228 -0.749 . . . . 0.0 111.228 173.488 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 84.4 m-85 -99.19 130.2 45.48 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.822 0.344 . . . . 0.0 111.208 174.594 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 81.7 t -133.15 -40.03 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.233 177.288 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 97.1 mtt180 -82.97 109.95 17.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.184 -173.164 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.455 HD23 HG22 ' A' ' 93' ' ' VAL . 63.3 tp -107.68 111.28 23.41 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.187 -178.42 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 84.3 mt -101.83 117.96 47.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.135 176.815 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 92.8 mt -112.8 123.33 68.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.22 -173.895 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 66.5 tt0 -98.75 145.04 27.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.219 176.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 46.6 p90 -153.66 163.73 39.5 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.224 172.161 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -106.28 -135.77 8.16 Favored Glycine 0 CA--C 1.523 0.58 0 N-CA-C 111.197 -0.761 . . . . 0.0 111.197 -173.485 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 98.1 mtt180 -109.09 -32.52 7.2 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.813 0.339 . . . . 0.0 111.21 179.206 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 99.3 m-20 -72.4 -17.02 61.84 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.188 177.328 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 33.1 p90 -149.02 155.03 40.19 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.157 178.268 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 91.4 p -144.39 160.31 41.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.173 -171.795 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 40.8 t -107.62 119.33 39.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.214 179.167 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 88.1 tt0 -144.89 120.67 10.55 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.154 -179.605 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 76.5 m-85 -121.41 26.8 8.65 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.186 -177.503 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 69.1 mm-40 -54.35 -52.89 60.16 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.178 -179.583 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 86.3 t60 -66.11 -42.63 88.96 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.251 -179.402 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 66.4 tp -53.98 -51.95 62.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.206 -179.585 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 54.8 t -69.46 -40.04 79.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.228 -177.484 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 71.6 tp60 -64.67 -35.06 79.82 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.185 179.509 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -69.62 -42.33 74.49 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.185 177.008 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 94.9 mtt-85 -73.52 -24.27 60.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.196 179.65 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 84.99 31.94 22.1 Favored Glycine 0 CA--C 1.523 0.563 0 N-CA-C 111.262 -0.735 . . . . 0.0 111.262 -179.859 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -94.9 -162.2 34.63 Favored Glycine 0 CA--C 1.522 0.516 0 N-CA-C 111.25 -0.74 . . . . 0.0 111.25 -179.216 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 97.3 mm-40 -113.73 161.8 17.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.738 0.304 . . . . 0.0 111.241 179.511 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 33.2 ptt-85 -160.01 144.78 14.88 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.226 176.046 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -162.45 143.49 10.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.24 -171.519 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 75.0 m -83.19 124.96 31.04 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.175 171.805 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 80.1 mt-30 -133.47 153.32 51.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.202 -175.063 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -113.05 104.85 12.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.182 -174.151 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 65.9 mt -119.97 128.86 25.64 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.215 -175.034 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 77.7 Cg_exo -52.47 117.92 4.14 Favored 'Trans proline' 0 N--CA 1.458 -0.568 0 C-N-CA 121.658 1.572 . . . . 0.0 111.22 179.899 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 94.6 mt -63.83 -41.88 94.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.21 176.025 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 16.0 p-10 -76.53 -11.4 59.87 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.205 -169.303 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 98.6 mm-40 -110.06 -30.86 7.59 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.217 -177.411 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 99.0 m-85 -121.12 -35.03 3.38 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.262 -174.149 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 97.95 -1.37 59.45 Favored Glycine 0 CA--C 1.524 0.602 0 N-CA-C 111.199 -0.761 . . . . 0.0 111.199 -176.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 72.3 m -94.08 158.07 15.79 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.796 0.331 . . . . 0.0 111.203 177.86 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -65.0 140.6 42.21 Favored Glycine 0 CA--C 1.524 0.632 0 N-CA-C 111.215 -0.754 . . . . 0.0 111.215 -168.039 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 92.7 m-20 -65.53 -26.22 67.79 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.783 0.325 . . . . 0.0 111.175 177.11 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 66.6 p -135.01 69.94 1.44 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.185 169.303 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -95.93 156.11 16.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.18 -168.634 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 22.3 tpt180 -100.04 112.14 24.44 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.229 173.795 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . 0.459 ' HA ' ' O ' ' A' ' 93' ' ' VAL . 32.9 tt0 -93.13 133.13 36.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.21 -176.427 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . 0.483 ' HB2' ' HB ' ' A' ' 93' ' ' VAL . 98.5 m-85 -121.14 139.99 52.6 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.185 173.892 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 91.6 t -102.5 113.97 40.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.211 -179.511 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 93.5 mt -123.88 166.36 15.77 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.245 179.197 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 98.6 mmm 60.52 30.02 19.44 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.246 176.503 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 96.4 m-20 64.98 34.24 9.1 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.246 177.929 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 94.84 -3.56 67.69 Favored Glycine 0 CA--C 1.523 0.555 0 N-CA-C 111.192 -0.763 . . . . 0.0 111.192 176.248 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 99.7 mttt -80.08 -19.87 46.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.872 0.367 . . . . 0.0 111.21 -178.897 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 69.0 tp -119.73 118.8 31.85 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.184 174.379 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -104.06 99.2 8.94 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.151 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . 0.483 ' HB ' ' HB2' ' A' ' 84' ' ' TYR . 58.1 t -88.11 127.59 41.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.172 -171.839 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 67.8 mt -124.96 95.59 3.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.22 -178.073 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -89.7 131.18 10.59 Favored Glycine 0 CA--C 1.524 0.628 0 N-CA-C 111.184 -0.766 . . . . 0.0 111.184 179.78 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 82.8 t80 -166.34 143.43 5.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.822 0.344 . . . . 0.0 111.155 176.756 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 60.3 t0 -77.79 103.71 7.89 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.2 177.631 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 95.3 m-85 -95.91 149.98 20.94 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.208 -179.353 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 82.3 p -96.1 175.34 6.5 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.211 172.701 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 87.0 m -63.18 -33.62 75.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.192 176.201 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -65.03 -29.17 70.05 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.168 173.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 64.6 mtt -84.42 -21.78 30.63 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.182 177.598 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 93.5 mt-30 -66.69 -39.14 87.97 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.216 171.481 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 86.7 p -69.37 -15.05 63.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.188 177.328 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 96.6 mt -88.91 -46.77 15.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.22 173.648 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 87.2 mt -65.2 -30.24 49.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.249 -176.41 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 39.2 ptt180 -61.07 -19.32 61.27 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.209 179.124 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 71.5 m-20 -89.75 -18.72 25.8 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.152 176.913 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' TYR . . . . . . . . . . . . . 59.5 m-85 -119.97 67.23 0.82 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.225 -179.84 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 43.4 t -156.69 143.25 18.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.223 -177.418 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 60.9 m-20 -109.73 -31.66 7.37 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.192 174.756 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 54.7 tp -141.44 135.58 30.45 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.261 174.561 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 97.7 t -112.81 138.67 41.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.156 175.699 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 93.9 mt -121.84 129.53 75.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.23 171.42 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 32.4 t -118.94 119.78 35.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.217 -174.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 98.5 m-70 -98.07 119.64 37.06 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.24 -179.057 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . 54.19 44.25 29.41 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.207 175.283 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -166.7 157.46 29.95 Favored Glycine 0 CA--C 1.524 0.596 0 N-CA-C 111.181 -0.768 . . . . 0.0 111.181 178.857 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 69.4 p -131.83 -6.55 3.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.726 0.298 . . . . 0.0 111.168 179.898 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -64.52 -29.62 75.63 Favored Glycine 0 CA--C 1.523 0.564 0 N-CA-C 111.159 -0.776 . . . . 0.0 111.159 -178.663 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 82.6 p -71.32 -20.02 62.24 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.793 0.33 . . . . 0.0 111.155 -179.72 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 122' ' ' ILE . . . . . 0.524 ' HA ' HD13 ' A' ' 132' ' ' LEU . 94.8 mt -64.95 -33.44 63.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.169 -177.081 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 61.4 tp -46.49 -52.39 13.36 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.201 -178.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 90.9 m-20 -68.43 -45.66 71.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.146 -176.715 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 23.0 t -61.98 -57.52 11.38 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.208 -169.581 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 73.6 mt -73.66 -26.36 60.71 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.257 -173.634 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 77.2 ttt180 -63.42 -29.99 71.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.136 175.176 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 88.8 mt -97.26 9.47 42.16 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.247 177.345 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 96.3 m-20 65.01 35.06 8.37 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.152 178.047 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 130' ' ' LYS . . . . . 0.422 ' HA ' ' HD3' ' A' ' 131' ' ' PRO . 95.9 mttt -110.41 137.75 20.74 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.191 179.68 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 131' ' ' PRO . . . . . 0.422 ' HD3' ' HA ' ' A' ' 130' ' ' LYS . 50.3 Cg_exo -60.67 143.65 99.44 Favored 'Trans proline' 0 N--CA 1.458 -0.59 0 C-N-CA 121.717 1.611 . . . . 0.0 111.227 -176.732 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 132' ' ' LEU . . . . . 0.524 HD13 ' HA ' ' A' ' 122' ' ' ILE . 9.0 tt -137.57 138.91 40.06 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.177 172.185 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 68.0 mt -116.77 132.14 67.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.164 177.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 89.7 t -95.83 100.12 10.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.159 173.383 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 135' ' ' CYS . . . . . . . . . . . . . 88.1 m -98.2 128.36 44.63 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.228 176.3 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 35.9 m -125.27 157.85 33.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.241 -179.117 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 53.3 p30 -100.57 -166.14 1.29 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.201 179.632 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 57.5 p-10 -95.33 16.31 17.1 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.189 -169.641 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 51.8 p -77.04 -19.27 57.38 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.187 174.785 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 89.4 mt -87.38 152.1 22.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.13 176.764 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 141' ' ' MET . . . . . . . . . . . . . 58.7 ttm -62.52 142.15 58.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.186 174.541 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 98.8 m-20 -50.76 -40.04 53.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.182 -178.748 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 99.5 m-20 -64.94 -35.78 82.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.218 177.078 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 144' ' ' HIS . . . . . . . . . . . . . 57.8 m170 -73.51 -32.88 64.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.17 -179.381 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 145' ' ' GLN . . . . . . . . . . . . . 79.9 mt-30 -65.0 -43.29 93.04 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.193 177.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 146' ' ' GLN . . . . . . . . . . . . . 72.8 tp60 -69.96 -37.11 75.7 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.23 175.778 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 147' ' ' GLN . . . . . 0.459 ' NE2' ' O ' ' A' ' 201' ' ' SER . 29.8 tt0 -57.75 -34.6 69.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.2 -179.033 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 148' ' ' ILE . . . . . 0.466 HG12 ' HA ' ' A' ' 199' ' ' ILE . 84.5 mt -56.79 -58.11 6.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.264 178.08 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -68.2 -31.58 71.21 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.184 -175.831 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 85.4 m-20 -51.18 -45.11 61.68 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.209 -174.737 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 151' ' ' LYS . . . . . 0.457 ' HD3' ' HA ' ' A' ' 151' ' ' LYS . 48.1 mmtt -100.03 -35.03 9.84 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.172 -173.54 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 152' ' ' PHE . . . . . . . . . . . . . 9.8 m-30 -65.72 -32.65 74.31 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.194 -178.637 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 153' ' ' VAL . . . . . . . . . . . . . 90.5 t -94.18 -39.98 11.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.233 -178.329 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 86.7 tt0 -53.44 -44.58 68.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.142 175.387 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 155' ' ' LEU . . . . . . . . . . . . . 96.4 mt -75.44 -24.84 57.09 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.306 -0.407 . . . . 0.0 111.191 177.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . 75.34 41.89 29.55 Favored Glycine 0 CA--C 1.524 0.625 0 N-CA-C 111.179 -0.768 . . . . 0.0 111.179 179.335 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 157' ' ' TYR . . . . . . . . . . . . . 13.6 m-30 -108.61 -39.9 5.25 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.865 0.364 . . . . 0.0 111.257 -172.566 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 158' ' ' VAL . . . . . . . . . . . . . 10.4 p -156.3 146.39 11.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.16 -178.243 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 159' ' ' TRP . . . . . . . . . . . . . 51.7 m95 -82.85 162.56 21.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.183 -176.648 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 160' ' ' SER . . . . . . . . . . . . . 40.8 t -140.6 138.87 34.73 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.213 -177.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 161' ' ' CYS . . . . . . . . . . . . . 62.0 m -128.37 130.8 48.25 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.199 -177.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -86.42 159.14 53.72 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.168 171.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 163' ' ' PRO . . . . . . . . . . . . . 98.5 Cg_endo -76.38 65.36 7.25 Favored 'Trans proline' 0 N--CA 1.458 -0.586 0 C-N-CA 121.746 1.63 . . . . 0.0 111.144 -179.237 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 164' ' ' THR . . . . . . . . . . . . . 35.9 p -134.97 174.77 10.23 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.231 176.441 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 165' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -64.96 -31.08 72.14 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.172 -174.348 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 166' ' ' THR . . . . . . . . . . . . . 82.3 p -106.92 -24.27 12.08 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.215 -179.066 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 167' ' ' GLY . . . . . . . . . . . . . . . -67.81 -35.63 85.48 Favored Glycine 0 CA--C 1.523 0.55 0 N-CA-C 111.236 -0.746 . . . . 0.0 111.236 -177.573 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 168' ' ' LEU . . . . . . . . . . . . . 95.7 mt -77.02 -10.58 59.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.794 0.33 . . . . 0.0 111.197 -176.872 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 46.1 pt -120.63 -3.77 9.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.191 179.723 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 170' ' ' ALA . . . . . . . . . . . . . . . -62.18 -42.07 98.93 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.17 175.551 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 171' ' ' GLY . . . . . . . . . . . . . . . -70.35 -34.51 68.82 Favored Glycine 0 CA--C 1.523 0.587 0 N-CA-C 111.171 -0.772 . . . . 0.0 111.171 177.7 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 80.3 mt -63.99 -36.17 83.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.814 0.34 . . . . 0.0 111.221 179.141 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 173' ' ' ARG . . . . . . . . . . . . . 17.5 tpp85 -79.82 -36.48 36.85 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.239 175.44 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -66.42 -27.91 68.2 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.162 -178.661 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 41.6 p -60.06 -24.93 64.97 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.198 178.811 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 176' ' ' GLN . . . . . . . . . . . . . 90.6 mm-40 -102.51 7.0 40.27 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.215 -178.765 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 177' ' ' THR . . . . . 0.417 HG22 ' HG3' ' A' ' 178' ' ' GLU . 88.7 m -104.11 -52.1 3.01 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.205 -175.022 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 178' ' ' GLU . . . . . 0.417 ' HG3' HG22 ' A' ' 177' ' ' THR . 96.6 mt-10 -129.63 151.26 50.43 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.233 -178.511 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 179' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -86.67 134.38 33.61 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.15 178.273 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 180' ' ' LEU . . . . . . . . . . . . . 99.2 mt -85.3 147.09 26.72 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.204 -178.697 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 181' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -110.52 150.0 41.05 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.242 172.516 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 182' ' ' PRO . . . . . . . . . . . . . 39.2 Cg_exo -62.49 151.79 81.0 Favored 'Trans proline' 0 N--CA 1.459 -0.549 0 C-N-CA 121.691 1.594 . . . . 0.0 111.185 -178.774 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 183' ' ' PHE . . . . . . . . . . . . . 45.5 m-85 -69.82 150.44 96.52 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.164 169.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 184' ' ' PRO . . . . . . . . . . . . . 60.7 Cg_endo -63.8 -20.36 68.44 Favored 'Trans proline' 0 N--CA 1.458 -0.589 0 C-N-CA 121.734 1.623 . . . . 0.0 111.171 169.461 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 185' ' ' VAL . . . . . . . . . . . . . 90.9 t -74.96 125.02 33.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.238 177.805 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 186' ' ' SER . . . . . . . . . . . . . 82.0 p -117.92 5.94 12.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.19 179.525 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 187' ' ' HIS . . . . . . . . . . . . . 92.3 m-70 -120.71 143.52 48.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.228 -176.715 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 188' ' ' ASN . . . . . 0.58 ' HB2' ' HD3' ' A' ' 189' ' ' PRO . 97.8 m-20 -68.63 -46.55 35.01 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.146 -178.597 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 189' ' ' PRO . . . . . 0.58 ' HD3' ' HB2' ' A' ' 188' ' ' ASN . 53.8 Cg_exo -54.96 -34.38 86.32 Favored 'Trans proline' 0 N--CA 1.457 -0.632 0 C-N-CA 121.71 1.607 . . . . 0.0 111.229 177.072 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 190' ' ' SER . . . . . . . . . . . . . 71.9 m -78.62 -31.1 46.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.183 -179.855 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 191' ' ' PHE . . . . . . . . . . . . . 6.7 m-85 -65.99 -33.64 76.27 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.151 172.106 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 192' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -63.89 -36.42 83.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.182 176.091 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 193' ' ' ARG . . . . . . . . . . . . . 80.2 ttt180 -64.93 -45.82 84.22 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.151 173.646 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 194' ' ' LEU . . . . . . . . . . . . . 59.0 tp -57.03 -44.99 83.43 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.161 173.697 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 195' ' ' LEU . . . . . . . . . . . . . 44.3 tp -54.8 -51.25 66.38 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.223 179.362 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 196' ' ' VAL . . . . . . . . . . . . . 62.7 t -66.29 -47.19 85.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.22 -176.443 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 197' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -73.15 -35.12 66.41 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.203 -169.387 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 198' ' ' THR . . . . . . . . . . . . . 96.9 m -97.95 -51.36 4.08 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.185 -171.717 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 199' ' ' ILE . . . . . 0.466 ' HA ' HG12 ' A' ' 148' ' ' ILE . 96.2 mt -87.61 -54.66 7.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.206 -169.917 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 200' ' ' TYR . . . . . . . . . . . . . 16.5 m-30 -69.78 -50.2 45.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.209 -175.119 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 201' ' ' SER . . . . . 0.459 ' O ' ' NE2' ' A' ' 147' ' ' GLN . 41.1 t . . . . . 0 C--O 1.201 -1.482 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.22 178.845 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.608 0 N-CA-C 111.195 -0.762 . . . . 0.0 111.195 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . 0.414 ' HA ' ' HA3' ' A' ' 38' ' ' GLY . 93.2 mt -66.35 -31.78 55.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-O 120.86 0.362 . . . . 0.0 111.253 -177.068 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 46.9 pt -79.04 -11.88 13.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.236 -177.739 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -94.61 155.08 17.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.203 178.589 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 -85.99 97.51 10.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.176 178.814 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 75.0 mmtt -89.06 157.6 18.28 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.167 -177.094 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -122.18 134.57 54.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.155 -175.822 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 95.1 mt -97.93 143.25 28.71 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.238 174.653 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 1.2 t80 -118.06 94.97 4.7 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.196 177.458 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 93.9 t -100.23 122.87 52.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.275 -174.441 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 98.9 m -130.93 130.06 42.97 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.154 173.799 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 81.0 m -114.97 145.02 42.68 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.26 -178.109 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -79.88 172.33 54.8 Favored Glycine 0 CA--C 1.523 0.55 0 N-CA-C 111.179 -0.768 . . . . 0.0 111.179 176.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -93.34 -14.18 27.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.758 0.313 . . . . 0.0 111.141 -177.917 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 98.3 m -57.45 -49.51 76.02 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.223 -179.319 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.472 ' HB ' HD11 ' A' ' 21' ' ' LEU . 87.8 t -96.65 135.4 22.3 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.208 175.239 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 74.5 Cg_exo -46.67 132.21 16.45 Favored 'Trans proline' 0 N--CA 1.457 -0.662 0 C-N-CA 121.644 1.563 . . . . 0.0 111.259 -178.421 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . 0.561 ' N ' ' CD ' ' A' ' 19' ' ' PRO . 41.7 m-85 -63.52 -40.59 59.63 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.209 -175.678 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.561 ' CD ' ' N ' ' A' ' 18' ' ' PHE . 87.4 Cg_exo -51.65 -32.41 44.74 Favored 'Trans proline' 0 N--CA 1.458 -0.588 0 C-N-CA 121.789 1.66 . . . . 0.0 111.165 178.376 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 97.4 mttt -78.49 -28.52 46.4 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.192 177.47 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.472 HD11 ' HB ' ' A' ' 16' ' ' VAL . 89.4 mt -91.6 -5.12 54.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.252 -171.798 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 33.0 m -104.21 -12.74 9.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.244 175.78 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 75.7 p -68.68 -16.33 63.79 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.158 179.83 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 73.2 m -86.93 -15.92 37.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.25 -178.109 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 35.5 m -117.07 -7.97 12.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.238 -175.633 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 97.5 mt -111.99 5.2 18.63 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.203 -178.245 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 52.4 p -73.69 151.51 40.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.141 -178.407 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 98.8 m-20 -66.01 -35.24 80.02 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.185 -176.542 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 77.2 mm-40 -70.25 -42.65 71.91 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.213 178.1 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.423 ' CE2' HD11 ' A' ' 34' ' ' LEU . 90.0 t80 -59.68 -51.4 69.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.152 -178.598 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 84.4 m -63.0 -31.67 72.86 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.165 -173.93 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 65.4 tt0 -76.58 -39.66 51.96 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.178 179.832 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 65.6 mm-40 -64.66 -30.93 71.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.226 -177.528 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.423 HD11 ' CE2' ' A' ' 30' ' ' PHE . 86.2 mt -56.11 -33.0 64.7 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.224 178.866 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 95.8 mt -61.25 -39.87 84.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.183 -175.442 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 86.5 mt-30 -84.07 -13.37 53.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.131 -178.371 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 14.9 m-30 -87.9 -26.08 22.92 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.229 177.725 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . 0.414 ' HA3' ' HA ' ' A' ' 2' ' ' ILE . . . 101.53 13.78 31.76 Favored Glycine 0 CA--C 1.524 0.595 0 N-CA-C 111.142 -0.783 . . . . 0.0 111.142 179.715 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 64.8 m-85 -94.62 124.84 38.9 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.754 0.311 . . . . 0.0 111.18 179.893 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 98.4 t -120.11 -40.04 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.179 -176.883 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 43.5 ttp180 -96.04 129.93 43.18 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.203 179.865 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 64.0 tp -123.65 107.05 11.07 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.284 175.283 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 91.3 mt -103.58 122.59 56.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.175 -178.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 80.6 mt -114.84 116.1 51.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.189 -178.369 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 14.2 tm0? -109.98 104.06 12.91 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.18 -172.694 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 19.3 m-30 -110.72 178.22 4.43 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.284 178.123 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -83.91 -136.48 3.11 Favored Glycine 0 CA--C 1.524 0.639 0 N-CA-C 111.194 -0.763 . . . . 0.0 111.194 -172.685 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . 0.651 ' O ' ' HB2' ' A' ' 49' ' ' ASN . 79.4 ttt180 -74.03 88.32 1.89 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.783 0.325 . . . . 0.0 111.231 -168.393 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . 0.651 ' HB2' ' O ' ' A' ' 48' ' ' ARG . 97.0 m-20 87.12 86.15 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.162 167.24 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 97.3 m-85 -138.76 -21.71 0.98 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.23 171.692 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 50.0 m -55.97 -31.02 62.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.188 175.422 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 90.8 p -74.27 -19.68 60.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.218 179.176 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 76.6 mm-40 -81.36 -31.98 33.11 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.213 174.606 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.407 ' HA ' ' HB2' ' A' ' 57' ' ' LEU . 37.2 m-85 -65.18 -20.43 66.44 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.197 175.72 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -59.78 -29.4 68.17 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.201 176.162 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 97.5 m-70 -104.43 -21.36 13.48 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.196 -177.801 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.407 ' HB2' ' HA ' ' A' ' 54' ' ' PHE . 87.5 mt -66.45 -39.93 89.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.211 174.207 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 6.4 p -69.17 -25.47 29.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.173 177.314 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 91.2 mt-30 -72.03 -35.57 69.42 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.202 175.37 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -71.52 -31.28 66.89 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.231 173.227 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 5.7 mmp_? -79.99 -25.9 40.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.235 179.572 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 86.87 30.64 20.16 Favored Glycine 0 CA--C 1.524 0.594 0 N-CA-C 111.224 -0.751 . . . . 0.0 111.224 177.339 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -95.3 -165.83 35.17 Favored Glycine 0 CA--C 1.523 0.583 0 N-CA-C 111.254 -0.738 . . . . 0.0 111.254 178.871 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . 0.415 ' HG3' ' HG3' ' A' ' 66' ' ' GLU . 64.3 tp60 -125.12 120.03 30.26 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.769 0.318 . . . . 0.0 111.211 177.503 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 67.1 ttp85 -80.08 128.82 33.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.208 174.428 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.415 ' HG3' ' HG3' ' A' ' 64' ' ' GLN . 56.7 mt-10 -141.92 60.9 1.47 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.203 177.585 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 30.8 t -60.93 129.89 43.7 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.149 -176.556 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 92.4 mm-40 -112.99 165.01 12.75 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.221 177.261 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -84.95 81.64 8.81 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.214 176.018 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 97.4 mt -61.91 122.6 73.05 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.218 -173.336 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_exo -59.95 146.4 95.98 Favored 'Trans proline' 0 N--CA 1.458 -0.574 0 C-N-CA 121.69 1.593 . . . . 0.0 111.201 -179.163 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 96.7 mt -74.03 -42.09 52.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.247 173.147 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 98.9 m-20 -67.05 -35.02 78.96 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.139 -177.512 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 64.8 tp60 -77.38 -61.09 2.1 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.212 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 56.0 t80 -101.56 -59.72 1.65 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.234 -178.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 123.15 39.53 0.51 Allowed Glycine 0 CA--C 1.523 0.556 0 N-CA-C 111.167 -0.773 . . . . 0.0 111.167 -173.718 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 12.0 t -140.05 -174.7 4.0 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.821 0.343 . . . . 0.0 111.149 179.464 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -127.16 -134.0 3.89 Favored Glycine 0 CA--C 1.523 0.552 0 N-CA-C 111.194 -0.763 . . . . 0.0 111.194 176.538 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 53.3 p-10 -104.96 23.76 13.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.77 0.319 . . . . 0.0 111.219 177.669 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 59.5 p -93.8 -18.25 22.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.233 179.72 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -77.3 159.52 29.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.196 178.034 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 90.1 mmt-85 -131.35 120.02 22.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.146 -179.837 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 81.7 mt-30 -95.71 140.91 29.83 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.221 -179.352 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 76.9 m-85 -136.21 135.89 39.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.243 -175.661 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 97.5 t -103.27 117.7 49.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.24 178.621 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 91.2 mt -122.73 160.35 26.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.214 177.869 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 84.6 mmm 61.96 29.96 17.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.21 175.177 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 96.5 m-20 65.02 34.71 8.62 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.218 177.185 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 96.17 -0.88 62.36 Favored Glycine 0 CA--C 1.523 0.584 0 N-CA-C 111.213 -0.755 . . . . 0.0 111.213 174.599 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -82.1 -20.85 37.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.814 0.34 . . . . 0.0 111.157 -178.843 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 67.2 tp -127.45 120.51 28.56 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.168 175.871 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 47.1 tptt -104.1 111.06 23.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.151 176.78 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 57.7 t -110.14 124.99 67.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.162 -177.588 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 60.0 mt -126.41 122.84 62.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.207 -179.625 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -93.22 140.07 14.89 Favored Glycine 0 CA--C 1.524 0.619 0 N-CA-C 111.182 -0.767 . . . . 0.0 111.182 178.519 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 91.5 m-85 -125.56 149.76 48.06 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.828 0.347 . . . . 0.0 111.168 176.655 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 96.2 m-20 -104.31 32.25 4.14 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.208 173.433 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 7.5 m-30 -64.97 147.22 53.84 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.223 -173.565 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 60.3 p -74.9 -177.27 3.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.262 177.823 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 75.8 p -73.81 -7.23 51.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.238 174.149 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 96.4 mttt -98.75 -40.51 8.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.235 173.586 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 92.2 mtp -74.96 -15.28 60.68 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.168 -176.729 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 29.7 pt20 -63.65 -20.01 65.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.198 -179.679 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 93.3 p -66.16 -22.05 66.35 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.269 176.508 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 96.0 mt -66.6 -55.37 18.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.139 173.518 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 82.2 mt -61.77 -33.31 57.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.21 179.61 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 61.1 ttp180 -48.01 -39.64 20.28 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.211 177.161 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 98.0 m-20 -77.05 -9.85 58.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.149 -173.523 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' TYR . . . . . . . . . . . . . 77.6 m-85 -115.27 40.72 2.61 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.14 -175.723 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 87.2 p -140.02 154.82 47.23 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.176 -173.384 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 54.3 m-20 -116.7 -31.09 5.6 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.165 175.819 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . 0.406 ' C ' HD23 ' A' ' 112' ' ' LEU . 10.4 tt -138.22 130.06 28.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.181 177.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 95.8 t -103.6 135.36 41.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.191 -172.698 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 80.7 mt -126.9 116.77 45.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.19 -176.355 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 21.1 t -107.69 116.25 31.6 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.172 -176.03 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 116' ' ' HIS . . . . . 0.411 ' HB3' HD22 ' A' ' 21' ' ' LEU . 43.4 m170 -101.35 123.71 45.86 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.2 178.596 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . 52.86 47.8 23.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.214 172.499 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 178.37 171.35 41.59 Favored Glycine 0 CA--C 1.522 0.516 0 N-CA-C 111.17 -0.772 . . . . 0.0 111.17 179.603 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 70.9 p -132.21 -2.84 3.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.853 0.359 . . . . 0.0 111.178 -176.871 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -60.8 -34.1 85.61 Favored Glycine 0 CA--C 1.523 0.549 0 N-CA-C 111.176 -0.77 . . . . 0.0 111.176 -174.778 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 87.5 p -87.1 -10.13 53.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.775 0.321 . . . . 0.0 111.19 -174.453 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 122' ' ' ILE . . . . . . . . . . . . . 84.8 mt -74.33 -41.85 50.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.211 -173.776 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 50.5 tp -63.73 -35.38 80.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.22 176.274 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 99.6 m-20 -66.48 -38.9 88.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.182 176.005 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 31.8 t -63.98 -37.77 88.64 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.248 174.359 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 61.5 tp -63.71 -44.04 94.8 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.236 177.508 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -67.99 -33.74 75.21 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.197 176.72 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . 0.411 ' O ' ' HB2' ' A' ' 129' ' ' ASN . 18.0 tp -72.91 -24.67 60.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.192 174.582 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 129' ' ' ASN . . . . . 0.411 ' HB2' ' O ' ' A' ' 128' ' ' LEU . 78.5 m-20 69.57 42.32 1.14 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.199 179.711 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 39.7 mmtm -119.95 157.46 52.66 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.186 179.176 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_exo -54.4 148.82 40.67 Favored 'Trans proline' 0 N--CA 1.457 -0.622 0 C-N-CA 121.68 1.587 . . . . 0.0 111.242 178.12 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 132' ' ' LEU . . . . . 0.526 ' C ' HD13 ' A' ' 132' ' ' LEU . 3.3 tm? -139.1 114.72 9.89 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.201 -166.721 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 133' ' ' ILE . . . . . 0.426 ' HA ' ' HB2' ' A' ' 159' ' ' TRP . 76.4 mt -104.71 139.28 26.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.218 177.037 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 98.0 t -118.55 123.91 72.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.224 175.316 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 135' ' ' CYS . . . . . 0.407 ' HB3' ' HA ' ' A' ' 116' ' ' HIS . 52.6 t -103.16 127.43 50.46 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.207 177.194 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 136' ' ' VAL . . . . . 0.434 ' HA ' HG23 ' A' ' 199' ' ' ILE . 30.6 m -88.44 170.23 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.14 179.211 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 36.6 p30 -82.13 -174.97 5.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.238 179.895 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 55.2 p-10 -102.89 20.15 17.99 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.222 -169.79 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 88.4 p -103.21 -7.22 21.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.26 177.558 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 51.1 tp -79.0 122.2 25.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.255 -176.578 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 141' ' ' MET . . . . . . . . . . . . . 58.0 ttm -65.17 142.44 58.34 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.232 -179.289 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 96.8 m-20 -53.64 -35.16 60.67 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.139 -177.091 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 99.4 m-20 -65.06 -29.12 69.99 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.195 -178.916 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 144' ' ' HIS . . . . . . . . . . . . . 92.5 m-70 -100.09 -10.71 21.21 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.19 -175.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 145' ' ' GLN . . . . . . . . . . . . . 80.0 mt-30 -64.91 -44.0 91.01 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.221 176.397 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 146' ' ' GLN . . . . . . . . . . . . . 72.8 tp60 -69.67 -36.99 76.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.144 178.861 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 147' ' ' GLN . . . . . . . . . . . . . 89.3 mt-30 -64.61 -47.24 79.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.16 -178.653 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 148' ' ' ILE . . . . . . . . . . . . . 85.7 mt -70.31 -36.54 67.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.201 178.845 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -58.57 -41.78 86.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.185 174.098 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 94.0 m-20 -62.92 -38.78 92.32 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.23 176.793 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 151' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -69.38 -33.97 73.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.166 179.172 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 152' ' ' PHE . . . . . . . . . . . . . 12.2 m-30 -63.18 -36.92 85.24 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.208 174.588 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 153' ' ' VAL . . . . . . . . . . . . . 65.2 t -65.87 -38.95 83.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.207 173.289 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -64.44 -31.32 72.48 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.267 178.68 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 155' ' ' LEU . . . . . . . . . . . . . 85.1 mt -64.78 -41.89 95.51 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.188 176.681 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . 95.43 3.91 61.11 Favored Glycine 0 CA--C 1.523 0.59 0 N-CA-C 111.223 -0.751 . . . . 0.0 111.223 166.172 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 157' ' ' TYR . . . . . 0.434 ' CD2' ' O ' ' A' ' 157' ' ' TYR . 67.6 t80 -146.0 25.05 1.3 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.785 0.326 . . . . 0.0 111.173 178.826 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 158' ' ' VAL . . . . . . . . . . . . . 60.7 t -136.77 118.06 18.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.215 -177.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 159' ' ' TRP . . . . . 0.426 ' HB2' ' HA ' ' A' ' 133' ' ' ILE . 22.1 m95 -87.66 144.06 26.85 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.211 168.276 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 160' ' ' SER . . . . . . . . . . . . . 45.6 t -101.73 108.91 20.57 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.207 -176.446 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 161' ' ' CYS . . . . . . . . . . . . . 15.7 t -99.94 125.08 45.9 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.183 175.713 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -72.36 155.04 91.74 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.234 176.712 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 163' ' ' PRO . . . . . . . . . . . . . 86.9 Cg_endo -78.35 60.01 7.32 Favored 'Trans proline' 0 N--CA 1.458 -0.577 0 C-N-CA 121.76 1.64 . . . . 0.0 111.136 -179.241 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 164' ' ' THR . . . . . . . . . . . . . 24.1 p -133.76 -176.92 4.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.224 177.338 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 165' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -82.82 -4.09 57.58 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.155 176.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 166' ' ' THR . . . . . . . . . . . . . 75.4 p -127.09 -8.6 5.94 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.19 -176.331 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 167' ' ' GLY . . . . . . . . . . . . . . . -61.81 -38.59 96.22 Favored Glycine 0 CA--C 1.523 0.567 0 N-CA-C 111.177 -0.769 . . . . 0.0 111.177 -179.087 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 168' ' ' LEU . . . . . . . . . . . . . 26.5 tp -70.83 -31.17 67.8 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.793 0.33 . . . . 0.0 111.158 -179.428 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 96.7 mt -57.58 -44.86 85.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.188 175.598 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 170' ' ' ALA . . . . . . . . . . . . . . . -64.66 -35.08 79.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.229 178.913 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 171' ' ' GLY . . . . . . . . . . . . . . . -62.82 -42.27 99.71 Favored Glycine 0 CA--C 1.523 0.575 0 N-CA-C 111.182 -0.767 . . . . 0.0 111.182 176.855 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 85.2 mt -66.95 -34.88 78.73 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.878 0.37 . . . . 0.0 111.183 177.703 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 173' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -65.23 -38.46 90.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.254 173.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -66.49 -36.76 83.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.227 -179.379 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 60.0 p -65.04 -22.58 67.0 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.139 -179.274 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 176' ' ' GLN . . . . . . . . . . . . . 92.5 mm-40 -100.21 -27.21 13.63 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.122 -177.423 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 177' ' ' THR . . . . . . . . . . . . . 95.7 m -73.6 -47.25 41.8 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.197 178.435 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 178' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -127.75 156.93 41.66 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.152 -176.439 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 179' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -105.0 135.42 46.38 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.274 -177.468 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 180' ' ' LEU . . . . . . . . . . . . . 97.7 mt -83.2 157.82 22.57 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.186 178.806 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 181' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -109.5 158.75 33.78 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.245 176.671 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 182' ' ' PRO . . . . . . . . . . . . . 75.5 Cg_exo -52.66 117.61 3.86 Favored 'Trans proline' 0 N--CA 1.457 -0.618 0 C-N-CA 121.712 1.608 . . . . 0.0 111.211 178.44 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 183' ' ' PHE . . . . . 0.462 ' CE2' ' HB ' ' A' ' 185' ' ' VAL . 2.7 t80 -70.0 113.05 14.71 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.189 -175.103 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 184' ' ' PRO . . . . . . . . . . . . . 76.6 Cg_exo -54.97 -35.87 90.92 Favored 'Trans proline' 0 N--CA 1.458 -0.576 0 C-N-CA 121.724 1.616 . . . . 0.0 111.15 -178.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 185' ' ' VAL . . . . . 0.462 ' HB ' ' CE2' ' A' ' 183' ' ' PHE . 69.7 t -80.64 129.49 37.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.148 -176.361 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 186' ' ' SER . . . . . . . . . . . . . 89.6 p -135.01 5.88 3.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.146 176.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 187' ' ' HIS . . . . . . . . . . . . . 96.0 m-70 -94.35 138.57 32.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.138 -175.66 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 188' ' ' ASN . . . . . 0.597 ' HB2' ' HD3' ' A' ' 189' ' ' PRO . 99.1 m-20 -62.99 -46.58 87.16 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.259 -177.516 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 189' ' ' PRO . . . . . 0.597 ' HD3' ' HB2' ' A' ' 188' ' ' ASN . 56.1 Cg_exo -54.94 -36.84 93.13 Favored 'Trans proline' 0 N--CA 1.457 -0.64 0 C-N-CA 121.704 1.602 . . . . 0.0 111.215 177.308 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 190' ' ' SER . . . . . . . . . . . . . 74.6 m -71.87 -39.77 69.43 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.263 179.082 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 191' ' ' PHE . . . . . . . . . . . . . 33.4 m-85 -60.66 -33.29 72.6 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.174 174.669 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 192' ' ' GLU . . . . . 0.407 ' HA ' ' HB ' ' A' ' 196' ' ' VAL . 88.3 tt0 -67.98 -49.84 59.25 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.183 179.658 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 193' ' ' ARG . . . . . . . . . . . . . 41.9 mmt180 -75.57 -26.64 58.1 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.232 -172.603 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 194' ' ' LEU . . . . . . . . . . . . . 97.2 mt -88.39 -53.82 4.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.269 -177.73 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 195' ' ' LEU . . . . . . . . . . . . . 92.4 mt -101.85 -59.0 1.77 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.195 -169.067 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 196' ' ' VAL . . . . . 0.407 ' HB ' ' HA ' ' A' ' 192' ' ' GLU . 61.9 t -51.11 -48.17 30.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.193 -170.48 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 197' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -61.2 -33.25 73.16 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.174 179.912 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 198' ' ' THR . . . . . . . . . . . . . 72.5 p -91.99 -14.29 29.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.19 -176.33 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 199' ' ' ILE . . . . . 0.434 HG23 ' HA ' ' A' ' 136' ' ' VAL . 90.7 mt -80.61 -40.21 19.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.205 175.135 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 200' ' ' TYR . . . . . . . . . . . . . 22.3 m-30 -91.15 -12.8 34.37 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.104 -175.814 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 201' ' ' SER . . . . . . . . . . . . . 40.7 t . . . . . 0 C--O 1.199 -1.568 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.249 179.925 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.605 0 N-CA-C 111.204 -0.758 . . . . 0.0 111.204 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 48.0 pt -102.0 -9.74 9.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.846 0.355 . . . . 0.0 111.201 -179.495 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 97.5 mt -104.95 -55.07 5.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.235 177.279 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 87.9 tt0 -91.9 147.51 22.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.192 177.109 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 61.3 mt-10 -52.8 110.0 0.47 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.223 178.115 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 36.4 ttmt -54.72 120.18 6.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.127 -178.388 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.431 ' HA ' ' O ' ' A' ' 41' ' ' ARG . . . -107.83 131.47 54.45 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.185 -165.92 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 59.5 tp -118.17 115.69 25.3 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.237 -177.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 86.8 t80 -93.93 125.18 38.4 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.194 -175.372 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 72.7 t -107.17 109.55 28.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.215 174.109 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 88.2 m -69.11 134.28 49.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.232 -179.651 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 77.9 m -131.66 65.41 1.57 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.197 171.556 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -85.44 -164.92 39.62 Favored Glycine 0 CA--C 1.522 0.503 0 N-CA-C 111.195 -0.762 . . . . 0.0 111.195 -175.304 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -67.52 -25.81 66.02 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.816 0.341 . . . . 0.0 111.206 -175.89 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 71.4 p -105.48 4.79 30.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.204 -176.157 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 59.9 t -124.73 104.24 30.7 Favored Pre-proline 0 C--N 1.328 -0.36 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.18 179.52 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.416 ' HB2' ' HB2' ' A' ' 20' ' ' LYS . 50.4 Cg_exo -55.77 141.7 84.37 Favored 'Trans proline' 0 N--CA 1.458 -0.573 0 C-N-CA 121.708 1.605 . . . . 0.0 111.187 177.893 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . 0.556 ' HB3' ' HD3' ' A' ' 19' ' ' PRO . 51.1 t80 -65.8 -52.23 43.41 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.216 -173.229 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.556 ' HD3' ' HB3' ' A' ' 18' ' ' PHE . 70.3 Cg_endo -75.48 -21.67 14.75 Favored 'Trans proline' 0 N--CA 1.457 -0.639 0 C-N-CA 121.699 1.599 . . . . 0.0 111.251 -172.556 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.416 ' HB2' ' HB2' ' A' ' 17' ' ' PRO . 87.6 tttt -55.17 -44.01 74.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.216 -175.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 75.3 mt -109.85 -34.44 6.44 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.24 -174.023 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 53.7 t -69.1 -45.88 79.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.177 -173.197 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 59.6 p -66.98 -16.42 64.34 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.192 -176.435 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . 0.475 ' SG ' ' HB3' ' A' ' 165' ' ' GLU . 80.9 m -90.96 -45.85 8.5 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.217 177.882 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 55.4 t -60.78 -29.87 46.03 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.229 177.085 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 77.6 mt -98.96 16.31 22.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.163 -178.344 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 48.8 p -73.37 163.69 27.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.216 175.46 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 99.2 m-20 -62.01 -31.36 71.74 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.177 178.449 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -76.65 -47.36 22.41 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.262 -178.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 7.6 m-85 -65.7 -44.94 84.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.215 -177.406 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 63.9 m -60.65 -41.79 95.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.223 -178.779 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 66.6 tt0 -61.63 -45.98 91.74 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.154 176.419 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 73.1 mm-40 -64.74 -37.85 88.99 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.165 179.17 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 69.5 mt -65.78 -41.42 92.03 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.233 -177.24 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 35.8 mm -57.91 -38.04 64.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.25 173.729 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 99.3 mm-40 -75.0 -25.76 59.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.193 177.643 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 21.9 m-30 -87.8 -8.9 55.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.219 179.809 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 100.95 -3.66 55.8 Favored Glycine 0 CA--C 1.524 0.598 0 N-CA-C 111.218 -0.753 . . . . 0.0 111.218 174.044 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 83.2 m-85 -81.92 117.85 22.49 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.843 0.354 . . . . 0.0 111.164 -178.346 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 30.2 m -131.49 -6.78 2.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.112 -173.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.431 ' O ' ' HA ' ' A' ' 7' ' ' ALA . 35.6 ttm180 -123.05 92.42 3.7 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.138 178.861 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.416 ' HB2' HG22 ' A' ' 93' ' ' VAL . 30.2 mt -92.57 135.15 34.32 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.21 -176.232 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 86.0 mt -115.37 113.4 43.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.152 -176.267 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 47.6 mm -112.74 113.76 45.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.23 -174.189 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 59.9 tt0 -76.14 126.91 31.86 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.176 174.38 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 8.6 m-30 -73.25 140.44 46.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.246 175.088 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -95.1 -146.69 21.32 Favored Glycine 0 CA--C 1.524 0.619 0 N-CA-C 111.126 -0.79 . . . . 0.0 111.126 178.32 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . 0.663 ' O ' ' CB ' ' A' ' 49' ' ' ASN . 59.0 ttt85 -81.81 60.07 4.54 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.833 0.349 . . . . 0.0 111.267 178.595 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . 0.663 ' CB ' ' O ' ' A' ' 48' ' ' ARG . 60.7 t30 106.92 67.99 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.189 172.157 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 98.5 m-85 -134.83 14.12 3.64 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.143 178.512 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 74.3 m -61.13 -47.56 85.67 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.196 176.423 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 93.9 p -82.5 -20.85 35.97 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.241 179.468 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 77.0 mm-40 -69.12 -42.96 75.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.186 177.718 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.508 ' CD1' ' O ' ' A' ' 54' ' ' PHE . 1.1 t80 -68.1 -39.83 82.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.213 173.014 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 83.0 tt0 -52.94 -39.86 63.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.198 173.68 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 62.8 m170 -66.93 -34.85 78.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.222 -179.156 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 91.7 mt -63.06 -33.7 76.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.226 -176.908 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.401 HG21 ' HB3' ' A' ' 84' ' ' TYR . 96.2 t -96.67 -36.73 6.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.17 -176.13 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 72.8 tp60 -64.9 -37.9 89.19 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.193 179.554 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -71.23 -30.82 66.82 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.2 177.245 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -71.98 -28.89 63.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.257 174.114 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 89.78 29.31 16.18 Favored Glycine 0 CA--C 1.523 0.541 0 N-CA-C 111.157 -0.777 . . . . 0.0 111.157 179.377 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -86.1 -168.28 44.59 Favored Glycine 0 CA--C 1.523 0.554 0 N-CA-C 111.268 -0.733 . . . . 0.0 111.268 179.058 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 97.7 mm-40 -109.69 165.28 11.8 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.838 0.351 . . . . 0.0 111.225 178.439 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 47.6 ptt85 -167.31 154.71 8.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.179 -176.087 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 88.3 tt0 -159.7 130.9 5.96 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.234 177.8 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 74.6 m -69.89 145.29 52.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.141 -178.665 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 91.8 mm-40 -124.89 145.11 49.98 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.169 -173.625 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -93.41 70.29 4.31 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.221 176.464 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 41.4 mm -71.28 131.17 86.98 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.202 -176.007 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -72.71 139.81 31.41 Favored 'Trans proline' 0 N--CA 1.458 -0.586 0 C-N-CA 121.706 1.604 . . . . 0.0 111.17 -176.464 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 96.4 mt -82.88 -43.03 18.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.191 178.438 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 99.1 m-20 -68.09 -40.09 82.73 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.168 -177.681 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 71.3 tp60 -85.03 -65.35 1.02 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.213 -176.909 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 48.2 t80 -80.73 -45.72 16.63 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.212 -171.195 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 115.68 16.0 7.17 Favored Glycine 0 CA--C 1.522 0.528 0 N-CA-C 111.205 -0.758 . . . . 0.0 111.205 170.761 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' CYS . . . . . 0.469 ' SG ' HD12 ' A' ' 106' ' ' ILE . 86.9 m -131.27 160.09 35.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.76 0.314 . . . . 0.0 111.192 179.599 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -77.22 178.93 50.97 Favored Glycine 0 CA--C 1.523 0.558 0 N-CA-C 111.187 -0.765 . . . . 0.0 111.187 -178.4 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 58.8 p-10 -92.31 15.12 14.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.797 0.332 . . . . 0.0 111.175 -176.654 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 73.4 p -92.75 2.63 56.64 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.159 174.539 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -66.46 154.56 39.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.173 176.221 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 41.4 ttm180 -145.88 132.73 20.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.216 -176.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 59.8 tt0 -84.72 135.59 34.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.166 176.353 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . 0.401 ' HB3' HG21 ' A' ' 58' ' ' VAL . 97.0 m-85 -120.15 147.28 45.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.21 174.62 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 92.8 t -113.76 118.78 59.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.163 -174.513 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 94.9 mt -125.13 169.64 11.99 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.19 179.724 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 97.3 mmm 60.03 30.01 19.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.172 176.834 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 96.4 m-20 64.88 34.58 9.08 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.194 176.019 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 97.32 -5.06 62.65 Favored Glycine 0 CA--C 1.523 0.547 0 N-CA-C 111.247 -0.741 . . . . 0.0 111.247 175.102 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -80.01 -25.7 40.15 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.781 0.324 . . . . 0.0 111.219 -178.713 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 46.1 tp -119.91 123.84 44.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.142 -176.765 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -105.13 116.34 31.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.166 176.099 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . 0.416 HG22 ' HB2' ' A' ' 42' ' ' LEU . 39.2 t -121.76 114.58 43.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.134 -179.501 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 67.3 mt -113.1 125.71 70.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.17 -174.921 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -88.48 132.02 10.99 Favored Glycine 0 CA--C 1.524 0.619 0 N-CA-C 111.228 -0.749 . . . . 0.0 111.228 174.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 95.9 m-85 -119.4 145.65 46.04 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.773 0.32 . . . . 0.0 111.151 -174.665 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 65.8 t0 -105.9 102.74 12.16 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.233 176.646 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 39.0 p90 -159.53 155.04 25.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.209 -178.422 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 59.8 p -85.58 -178.53 6.69 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.243 -173.225 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 82.7 p -73.5 -14.65 61.26 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.2 179.6 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -85.39 -10.69 55.92 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.128 177.905 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 67.5 mtt -105.0 3.05 30.19 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.164 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 90.0 mt-30 -65.77 -41.89 91.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.167 179.449 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 65.1 m -61.47 -32.47 72.48 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.188 178.212 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 96.5 mt -71.74 -50.3 39.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.256 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . 0.469 HD12 ' SG ' ' A' ' 77' ' ' CYS . 17.8 tt -70.37 -21.29 23.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.143 -177.104 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 96.1 mtt180 -72.08 -10.49 59.85 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.113 178.889 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -75.55 -12.49 60.23 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.144 170.718 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 109' ' ' TYR . . . . . . . . . . . . . 94.0 m-85 -112.44 36.99 3.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.22 179.886 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . 0.4 ' HA ' ' HB3' ' A' ' 7' ' ' ALA . 91.7 p -145.11 160.05 42.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.213 -177.434 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 64.7 m-20 -110.56 -39.66 4.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.213 -179.225 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 59.4 tp -125.99 121.98 34.61 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.207 177.118 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 99.1 t -94.86 136.05 27.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.219 -179.295 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 86.3 mt -112.24 124.75 69.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.232 172.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 43.1 t -140.06 143.12 36.19 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.215 174.408 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 52.3 t-80 -76.72 153.19 35.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.191 161.656 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -61.41 135.44 57.69 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.2 176.014 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 111.7 32.74 2.4 Favored Glycine 0 CA--C 1.524 0.636 0 N-CA-C 111.196 -0.762 . . . . 0.0 111.196 177.15 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 43.8 p -125.03 -26.69 3.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.773 0.321 . . . . 0.0 111.199 -179.536 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 79.73 10.05 86.16 Favored Glycine 0 CA--C 1.523 0.536 0 N-CA-C 111.18 -0.768 . . . . 0.0 111.18 -175.922 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 68.9 m -70.59 -20.14 62.8 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.821 0.343 . . . . 0.0 111.19 -173.937 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 122' ' ' ILE . . . . . . . . . . . . . 7.8 tp -53.11 -30.84 17.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.146 176.115 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 98.2 mt -82.25 -24.4 34.81 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.208 178.915 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 35.8 t70 -74.65 -42.37 58.64 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.247 174.941 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 83.0 p -65.16 -25.4 67.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.23 177.125 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 65.7 tp -64.76 -55.37 20.24 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.175 175.81 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 37.6 ptt180 -68.52 -20.32 64.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.209 -179.861 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 97.7 mt -83.65 -26.79 29.6 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.187 172.178 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 77.7 m-20 61.41 39.23 15.4 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.132 -174.458 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 96.6 mttt -121.03 145.68 42.28 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.191 -172.204 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 77.2 Cg_exo -55.0 143.68 72.0 Favored 'Trans proline' 0 N--CA 1.457 -0.631 0 C-N-CA 121.673 1.582 . . . . 0.0 111.296 -179.266 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 58.1 tp -139.32 120.25 14.46 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.229 -176.357 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 89.9 mt -81.71 124.92 39.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.227 166.931 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 95.4 t -116.64 111.57 35.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.221 179.405 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 135' ' ' CYS . . . . . . . . . . . . . 50.0 t -92.51 115.52 28.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.201 176.035 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 25.5 m -77.18 161.11 4.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.167 -171.603 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 46.3 p30 -85.1 -174.95 5.53 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.149 177.857 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 57.0 p-10 -97.88 10.74 39.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.219 -172.748 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 78.5 p -91.83 -16.12 27.21 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.218 176.887 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 48.7 tp -80.74 129.43 34.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.203 -179.583 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 141' ' ' MET . . . . . . . . . . . . . 59.5 ttm -60.77 139.85 57.77 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.145 -178.726 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 98.8 m-20 -53.52 -39.19 64.44 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.267 -176.882 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 99.6 m-20 -68.42 -29.11 67.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.225 177.69 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 144' ' ' HIS . . . . . . . . . . . . . 64.2 m170 -86.12 -16.41 38.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.226 -178.831 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 145' ' ' GLN . . . . . . . . . . . . . 80.9 mt-30 -69.12 -32.86 72.55 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.198 175.791 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 146' ' ' GLN . . . . . . . . . . . . . 90.1 mt-30 -82.91 -36.22 25.45 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.223 176.555 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 147' ' ' GLN . . . . . . . . . . . . . 72.1 tp60 -67.52 -43.05 81.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.13 179.221 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 148' ' ' ILE . . . . . 0.404 HG12 ' CE1' ' A' ' 152' ' ' PHE . 12.9 tt -69.93 -25.38 27.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.25 -179.139 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -64.91 -41.89 95.19 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.203 175.451 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 99.5 m-20 -64.99 -30.93 71.95 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.174 176.515 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 151' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -71.39 -33.04 69.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.232 175.603 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 152' ' ' PHE . . . . . 0.404 ' CE1' HG12 ' A' ' 148' ' ' ILE . 11.8 m-30 -72.97 -28.17 62.25 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.259 176.826 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 153' ' ' VAL . . . . . . . . . . . . . 53.6 t -61.09 -35.73 67.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.245 169.771 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 76.6 mm-40 -69.31 -30.14 68.14 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.154 177.2 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 155' ' ' LEU . . . . . 0.419 HD11 ' HB2' ' A' ' 195' ' ' LEU . 82.9 mt -64.71 -26.82 68.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.173 177.468 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . 105.34 -31.39 8.56 Favored Glycine 0 CA--C 1.523 0.586 0 N-CA-C 111.192 -0.763 . . . . 0.0 111.192 164.143 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 157' ' ' TYR . . . . . 0.422 ' HA ' ' HB3' ' A' ' 180' ' ' LEU . 17.4 p90 -139.08 8.14 2.48 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.839 0.352 . . . . 0.0 111.194 -173.24 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 158' ' ' VAL . . . . . . . . . . . . . 58.7 t -109.06 140.07 29.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.226 -178.75 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 159' ' ' TRP . . . . . . . . . . . . . 66.2 t-105 -133.45 133.09 41.86 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.206 177.709 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 160' ' ' SER . . . . . . . . . . . . . 30.0 t -83.22 130.19 35.07 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.206 177.686 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 161' ' ' CYS . . . . . . . . . . . . . 88.6 m -115.02 149.09 38.0 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.211 172.01 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -60.28 156.34 40.83 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.178 -175.575 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 163' ' ' PRO . . . . . . . . . . . . . 78.3 Cg_endo -74.95 70.27 5.3 Favored 'Trans proline' 0 N--CA 1.459 -0.555 0 C-N-CA 121.675 1.583 . . . . 0.0 111.204 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 164' ' ' THR . . . . . . . . . . . . . 14.8 t -152.63 169.07 23.6 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.217 178.89 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 165' ' ' GLU . . . . . 0.475 ' HB3' ' SG ' ' A' ' 24' ' ' CYS . 98.6 mt-10 -71.25 -32.68 69.02 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.156 -168.363 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 166' ' ' THR . . . . . . . . . . . . . 62.2 p -112.17 24.33 12.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.175 -174.647 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 167' ' ' GLY . . . . . . . . . . . . . . . -79.97 -9.67 86.44 Favored Glycine 0 CA--C 1.523 0.542 0 N-CA-C 111.167 -0.773 . . . . 0.0 111.167 -179.679 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 168' ' ' LEU . . . . . . . . . . . . . 93.5 mt -64.25 -25.89 68.26 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.782 0.325 . . . . 0.0 111.177 -175.149 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 169' ' ' ILE . . . . . 0.4 HD12 ' HA ' ' A' ' 169' ' ' ILE . 10.4 tp -62.92 -22.83 31.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.147 -175.788 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 170' ' ' ALA . . . . . . . . . . . . . . . -64.99 -42.59 94.39 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.194 177.503 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 171' ' ' GLY . . . . . . . . . . . . . . . -76.49 -33.29 48.43 Favored Glycine 0 CA--C 1.522 0.531 0 N-CA-C 111.222 -0.751 . . . . 0.0 111.222 179.129 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 98.1 mt -65.78 -36.6 83.98 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.855 0.36 . . . . 0.0 111.271 177.233 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 173' ' ' ARG . . . . . . . . . . . . . 79.4 ttt180 -72.83 -38.57 67.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.157 173.504 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -61.3 -35.54 77.62 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.182 -178.358 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 52.5 p -63.17 -23.72 67.56 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.216 179.18 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 176' ' ' GLN . . . . . . . . . . . . . 92.5 mm-40 -100.88 -25.7 14.0 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.236 -178.453 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 177' ' ' THR . . . . . . . . . . . . . 90.5 m -65.98 -41.21 91.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.24 177.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 178' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -148.16 135.79 20.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.196 -179.881 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 179' ' ' LYS . . . . . . . . . . . . . 88.9 tttt -58.03 121.18 9.99 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.138 178.121 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 180' ' ' LEU . . . . . 0.422 ' HB3' ' HA ' ' A' ' 157' ' ' TYR . 97.4 mt -84.86 137.42 33.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.181 -179.579 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 181' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -131.99 154.14 81.61 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.158 -172.339 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 182' ' ' PRO . . . . . . . . . . . . . 50.1 Cg_exo -55.76 148.92 52.97 Favored 'Trans proline' 0 N--CA 1.458 -0.604 0 C-N-CA 121.606 1.537 . . . . 0.0 111.252 177.915 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 183' ' ' PHE . . . . . 0.433 ' CE2' ' HB ' ' A' ' 185' ' ' VAL . 15.8 t80 -55.64 115.08 8.54 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.271 178.658 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 184' ' ' PRO . . . . . . . . . . . . . 82.0 Cg_exo -58.54 -39.01 86.97 Favored 'Trans proline' 0 N--CA 1.459 -0.543 0 C-N-CA 121.637 1.558 . . . . 0.0 111.198 -172.143 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 185' ' ' VAL . . . . . 0.433 ' HB ' ' CE2' ' A' ' 183' ' ' PHE . 88.5 t -82.96 124.19 39.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.196 -174.196 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 186' ' ' SER . . . . . . . . . . . . . 96.4 p -76.67 -19.53 57.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.255 -172.218 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 187' ' ' HIS . . . . . . . . . . . . . 97.2 m-70 -64.04 130.7 45.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.213 -179.704 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 188' ' ' ASN . . . . . 0.526 ' N ' ' CD ' ' A' ' 189' ' ' PRO . 99.5 m-20 -71.55 -43.33 11.8 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.136 -179.711 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 189' ' ' PRO . . . . . 0.526 ' CD ' ' N ' ' A' ' 188' ' ' ASN . 72.6 Cg_exo -54.86 -39.67 89.0 Favored 'Trans proline' 0 N--CA 1.457 -0.621 0 C-N-CA 121.75 1.633 . . . . 0.0 111.217 -179.614 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 190' ' ' SER . . . . . . . . . . . . . 73.2 m -64.81 -45.25 87.02 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.254 178.849 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 191' ' ' PHE . . . . . . . . . . . . . 87.7 t80 -58.52 -48.83 79.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.214 177.076 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 192' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -69.91 -34.48 73.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.223 -174.27 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 193' ' ' ARG . . . . . . . . . . . . . 80.0 ttt180 -54.63 -36.29 64.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.19 -174.597 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 194' ' ' LEU . . . . . . . . . . . . . 98.2 mt -78.55 -38.37 40.56 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.186 -168.59 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 195' ' ' LEU . . . . . 0.486 HD23 ' C ' ' A' ' 195' ' ' LEU . 8.5 tt -119.27 -50.29 2.35 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.249 -173.81 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 196' ' ' VAL . . . . . . . . . . . . . 76.7 t -67.69 -35.38 72.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.251 -172.585 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 197' ' ' GLU . . . . . . . . . . . . . 75.2 mm-40 -92.06 11.14 26.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.194 -179.738 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 198' ' ' THR . . . . . . . . . . . . . 80.4 p -122.53 -23.22 5.23 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.185 175.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 199' ' ' ILE . . . . . . . . . . . . . 67.2 mt -115.03 -42.54 3.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.159 178.461 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 200' ' ' TYR . . . . . . . . . . . . . 95.8 m-85 -104.97 16.02 26.68 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.199 -173.901 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 201' ' ' SER . . . . . . . . . . . . . 41.2 t . . . . . 0 C--O 1.199 -1.57 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.151 179.041 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.617 0 N-CA-C 111.2 -0.76 . . . . 0.0 111.2 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . 0.423 HG23 HG13 ' A' ' 3' ' ' ILE . 10.8 tp -73.44 -33.01 38.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.774 0.321 . . . . 0.0 111.213 -178.64 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.423 HG13 HG23 ' A' ' 2' ' ' ILE . 97.6 mt -129.76 100.13 5.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.203 173.506 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -119.71 -29.56 5.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.22 175.721 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 33.8 mt-10 -111.61 175.87 5.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.159 -170.72 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 43.6 tptt -50.04 109.99 0.35 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.204 -171.854 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -109.11 128.21 54.8 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.131 -167.354 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 61.2 tp -109.05 111.58 23.3 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.187 176.57 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . 0.469 ' HA ' ' HB ' ' A' ' 43' ' ' ILE . 43.9 t80 -89.82 110.02 20.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.208 -176.111 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 62.1 t -115.86 127.29 73.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.226 178.849 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 30.8 m -124.45 129.99 51.66 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.231 169.654 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 95.6 m -81.63 146.14 30.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.224 -177.221 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -80.54 176.58 54.63 Favored Glycine 0 CA--C 1.523 0.539 0 N-CA-C 111.211 -0.756 . . . . 0.0 111.211 178.144 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -92.42 -15.66 26.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.79 0.328 . . . . 0.0 111.247 -177.455 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 69.4 m -61.79 -44.71 96.34 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.162 -177.618 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 84.9 t -109.94 135.02 20.51 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.125 -178.776 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 81.6 Cg_exo -48.95 137.82 27.73 Favored 'Trans proline' 0 N--CA 1.458 -0.571 0 C-N-CA 121.748 1.632 . . . . 0.0 111.188 179.208 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . 0.54 ' N ' ' CD ' ' A' ' 19' ' ' PRO . 84.3 t80 -60.22 -42.34 89.02 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.188 -176.93 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.54 ' CD ' ' N ' ' A' ' 18' ' ' PHE . 76.8 Cg_exo -53.14 -29.92 47.93 Favored 'Trans proline' 0 N--CA 1.458 -0.592 0 C-N-CA 121.731 1.621 . . . . 0.0 111.133 178.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -86.29 -36.19 19.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.187 -179.92 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 81.6 mt -76.16 -28.93 57.55 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.228 -177.746 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 3.4 p -75.47 -22.98 16.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.169 -177.005 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 60.2 p -76.6 -14.94 59.95 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.197 177.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 76.3 m -85.01 -15.0 45.65 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.231 -179.375 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 33.2 m -111.79 -11.63 11.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.245 178.207 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 90.6 mt -101.1 6.59 43.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.262 173.131 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 3.6 t -60.02 141.69 55.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.146 174.884 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 86.0 m-20 -63.1 -40.35 97.38 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.199 176.127 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -69.04 -39.03 79.42 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.226 178.117 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 73.6 t80 -59.4 -48.75 80.45 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.203 174.524 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 68.9 m -65.47 -39.16 91.65 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.268 -177.369 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 72.4 tp60 -62.48 -45.22 94.01 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.236 177.466 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 61.4 mm-40 -68.25 -38.19 81.55 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.211 176.707 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 43.4 tp -60.15 -40.75 90.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.221 179.458 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 92.9 mt -62.65 -39.96 86.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.261 171.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 71.9 tp60 -62.75 -30.03 71.14 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.24 178.041 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 26.4 m-85 -85.96 1.56 49.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.222 -179.34 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 84.75 19.82 59.13 Favored Glycine 0 CA--C 1.523 0.553 0 N-CA-C 111.186 -0.765 . . . . 0.0 111.186 168.796 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 68.0 m-85 -94.63 145.16 25.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.798 0.333 . . . . 0.0 111.173 178.331 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 84.4 t -116.36 -40.1 2.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.206 -171.71 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 88.3 mtt180 -123.02 103.71 8.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.215 -172.086 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 57.9 tp -78.43 113.81 16.76 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.218 175.17 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.469 ' HB ' ' HA ' ' A' ' 9' ' ' PHE . 96.8 mt -94.8 124.6 47.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.212 179.79 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 76.9 mt -113.78 100.42 10.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.245 176.254 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 69.9 tp60 -105.51 98.04 7.8 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.137 -176.042 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 75.9 t80 -120.17 130.01 54.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.211 -174.771 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -78.12 164.61 51.48 Favored Glycine 0 CA--C 1.523 0.56 0 N-CA-C 111.18 -0.768 . . . . 0.0 111.18 -176.064 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 76.8 ttt180 75.03 -95.04 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.78 0.324 . . . . 0.0 111.236 177.631 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 61.0 t-20 -133.41 93.16 3.1 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.2 -172.639 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 41.1 t80 -79.55 130.21 35.18 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.132 176.262 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 30.8 t -57.32 109.59 0.7 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.153 175.03 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 58.3 m -110.72 34.08 4.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.143 -169.484 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 22.9 tt0 -144.79 85.56 1.77 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.226 173.752 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 21.7 m-30 -109.12 29.56 7.39 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.212 172.882 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 79.5 tt0 -60.37 -37.72 81.63 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.186 177.061 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 51.0 p-80 -66.08 -23.49 66.53 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.206 179.064 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 59.2 tp -75.63 -55.04 6.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.146 177.489 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 19.1 m -67.65 -22.43 28.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.197 -177.724 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 72.0 tp60 -61.5 -33.87 74.53 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.192 175.782 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 95.4 mt-10 -90.65 -28.05 18.64 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.212 179.747 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 10.9 mpt_? -90.33 4.26 51.3 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.177 -175.55 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 74.99 39.29 38.33 Favored Glycine 0 CA--C 1.524 0.601 0 N-CA-C 111.144 -0.783 . . . . 0.0 111.144 169.367 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -135.43 -174.37 13.38 Favored Glycine 0 CA--C 1.523 0.547 0 N-CA-C 111.151 -0.78 . . . . 0.0 111.151 178.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 94.4 mm-40 -119.97 -179.98 4.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.868 0.365 . . . . 0.0 111.183 178.431 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 8.1 ppt_? -140.53 149.76 42.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.173 175.735 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 42.6 tt0 -152.4 130.72 12.05 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.206 -178.274 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 29.0 t -87.09 127.22 35.13 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.135 172.621 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 87.6 mt-30 -125.92 152.61 45.39 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.241 -171.602 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -115.14 110.15 19.09 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.258 175.481 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 46.6 mm -101.14 132.85 21.43 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.149 -165.929 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_exo -50.04 124.55 12.91 Favored 'Trans proline' 0 N--CA 1.459 -0.523 0 C-N-CA 121.677 1.585 . . . . 0.0 111.138 175.026 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 96.8 mt -73.45 -46.17 49.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.21 -176.275 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 99.4 m-20 -63.92 -38.15 90.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.208 -175.76 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 70.8 tp60 -78.2 -46.66 19.88 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.187 -174.603 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 85.2 m-85 -113.8 -23.65 9.55 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.255 -166.743 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 93.96 -7.04 73.33 Favored Glycine 0 CA--C 1.524 0.596 0 N-CA-C 111.206 -0.758 . . . . 0.0 111.206 177.627 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 77.2 m -95.08 155.07 16.88 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.828 0.347 . . . . 0.0 111.178 -179.131 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -97.37 -148.98 24.78 Favored Glycine 0 CA--C 1.523 0.543 0 N-CA-C 111.214 -0.754 . . . . 0.0 111.214 -174.071 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 53.5 p-10 -99.72 14.14 31.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.81 0.338 . . . . 0.0 111.234 -171.391 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 64.6 p -127.57 70.47 1.32 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.201 176.192 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -112.41 122.23 47.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.198 173.79 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 8.9 mmm180 -103.6 116.67 32.79 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.184 -175.746 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 35.7 tt0 -92.9 124.87 37.19 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.163 177.257 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 93.7 m-85 -124.96 143.81 50.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.2 175.486 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 98.6 t -111.6 123.31 67.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.243 176.286 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 94.3 mt -121.87 167.15 13.37 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.162 178.847 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 70.4 mmm 60.91 34.77 19.43 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.183 173.522 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 77.3 m-20 58.96 34.94 23.89 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.208 177.733 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 94.02 4.53 63.09 Favored Glycine 0 CA--C 1.523 0.567 0 N-CA-C 111.226 -0.75 . . . . 0.0 111.226 172.932 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -86.34 -18.94 30.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.756 0.312 . . . . 0.0 111.192 -178.286 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 53.0 tp -136.51 134.87 38.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.205 176.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 92.6 mttt -105.44 146.71 29.14 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.168 174.733 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 91.1 t -129.64 124.24 58.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.196 177.879 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 45.1 mm -114.68 113.98 45.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.232 178.19 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -102.43 146.67 16.91 Favored Glycine 0 CA--C 1.523 0.554 0 N-CA-C 111.218 -0.753 . . . . 0.0 111.218 179.203 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 90.2 m-85 -126.47 131.66 51.61 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.766 0.317 . . . . 0.0 111.161 178.393 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 57.7 t0 -115.1 88.32 2.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.213 -177.647 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 87.0 m-85 -134.29 -176.74 4.3 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.229 -178.803 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 72.8 p -76.61 -179.13 5.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.169 175.113 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 82.3 p -78.36 -7.67 57.57 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.256 179.372 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -88.13 -7.84 56.32 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.234 179.512 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 95.2 mtp -114.94 34.92 4.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.202 -179.772 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 28.7 mm100 -86.7 -16.39 36.62 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.159 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . 0.501 ' O ' ' HB ' ' A' ' 105' ' ' ILE . 12.0 t -94.96 -164.46 1.17 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.202 -177.658 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . 0.501 ' HB ' ' O ' ' A' ' 104' ' ' SER . 86.6 mt 73.64 -65.03 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.183 178.237 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 95.8 mt -57.29 -28.94 31.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.205 -177.17 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 93.1 mtm-85 -59.89 -30.1 68.79 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.186 178.41 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -67.2 -21.57 65.76 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.176 179.2 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 109' ' ' TYR . . . . . . . . . . . . . 62.9 m-85 -96.59 -8.9 30.6 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.171 -177.054 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 83.5 p -86.01 169.71 12.95 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.249 -176.863 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 61.8 m-20 -110.77 -40.07 4.66 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.23 178.301 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 53.5 tp -127.46 129.95 48.39 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.207 175.655 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 94.9 t -108.19 120.38 59.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.234 -177.156 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 114' ' ' ILE . . . . . 0.438 HG12 ' HB ' ' A' ' 133' ' ' ILE . 85.3 mt -103.85 117.1 48.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.194 170.346 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 49.7 m -121.1 135.93 55.08 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.246 -177.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 116' ' ' HIS . . . . . 0.446 ' HA ' ' HB2' ' A' ' 135' ' ' CYS . 24.9 m170 -87.81 146.51 25.58 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.186 175.416 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -63.05 129.73 41.62 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.197 176.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 100.9 25.29 8.55 Favored Glycine 0 CA--C 1.524 0.619 0 N-CA-C 111.141 -0.784 . . . . 0.0 111.141 177.201 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 69.4 p -115.3 -40.97 3.35 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.867 0.365 . . . . 0.0 111.224 176.808 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 94.08 2.61 64.22 Favored Glycine 0 CA--C 1.524 0.652 0 N-CA-C 111.193 -0.763 . . . . 0.0 111.193 -177.028 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 86.4 p -90.78 -7.76 51.54 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.802 0.334 . . . . 0.0 111.143 177.886 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 122' ' ' ILE . . . . . 0.492 HG23 HD21 ' A' ' 132' ' ' LEU . 96.6 mt -63.78 -40.0 87.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.217 179.492 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 96.2 mt -75.37 -17.65 60.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.238 -173.513 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 31.1 t0 -69.39 -52.89 22.7 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.206 -176.087 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 11.2 t -57.06 -34.95 68.78 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.152 178.545 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 89.8 mt -63.01 -48.61 78.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.175 179.24 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 40.1 ptt180 -73.39 -19.98 60.86 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.221 -179.777 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 97.5 mt -85.64 -9.91 56.57 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.203 176.134 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 56.2 t30 63.57 36.18 11.24 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.155 -179.162 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 89.7 mttt -110.82 149.52 40.5 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.154 178.485 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 74.6 Cg_exo -50.95 131.11 33.61 Favored 'Trans proline' 0 N--CA 1.458 -0.567 0 C-N-CA 121.648 1.565 . . . . 0.0 111.178 178.928 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 132' ' ' LEU . . . . . 0.492 HD21 HG23 ' A' ' 122' ' ' ILE . 40.7 tp -131.31 126.53 35.59 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.182 -171.762 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 133' ' ' ILE . . . . . 0.438 ' HB ' HG12 ' A' ' 114' ' ' ILE . 74.4 mt -111.09 120.95 62.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.235 170.093 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 97.5 t -100.16 123.31 52.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.157 -179.334 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 135' ' ' CYS . . . . . 0.446 ' HB2' ' HA ' ' A' ' 116' ' ' HIS . 89.9 m -98.67 117.21 32.63 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.166 179.212 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 11.4 p -84.89 141.81 14.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.159 -176.159 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 19.7 p30 -141.33 -160.16 1.05 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.176 179.36 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 98.8 m-20 -67.3 -12.61 60.58 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.194 -170.182 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 82.5 p -58.85 -25.82 63.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.229 176.097 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 53.5 tp -90.77 114.97 27.46 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.209 171.879 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 141' ' ' MET . . . . . . . . . . . . . 98.7 mmm -76.26 -20.3 57.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.113 -175.253 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 66.3 t0 -63.84 122.53 16.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.169 176.404 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 98.2 m-20 -61.62 -24.8 66.95 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.134 -179.266 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 144' ' ' HIS . . . . . . . . . . . . . 99.3 m-70 -85.02 65.92 9.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.186 177.118 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 145' ' ' GLN . . . . . . . . . . . . . 96.9 mt-30 -77.42 -27.43 52.28 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.16 -174.724 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 146' ' ' GLN . . . . . . . . . . . . . 85.7 mt-30 -90.4 -18.38 25.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.186 -177.098 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 147' ' ' GLN . . . . . . . . . . . . . 99.1 mm-40 -76.94 -21.78 54.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.169 -173.746 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 148' ' ' ILE . . . . . . . . . . . . . 37.6 pt -67.42 -19.98 25.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.205 -178.713 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -58.98 -28.5 66.4 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.17 -179.383 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 98.8 m-20 -62.51 -32.69 73.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.159 176.653 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 151' ' ' LYS . . . . . . . . . . . . . 75.0 mmtt -87.64 -23.59 24.2 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.269 -179.559 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 152' ' ' PHE . . . . . . . . . . . . . 12.8 m-85 -63.61 -36.96 85.54 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.134 168.146 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 153' ' ' VAL . . . . . . . . . . . . . 61.6 t -63.37 -38.3 81.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.208 171.585 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 76.8 mm-40 -64.84 -32.87 74.77 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.212 178.095 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 155' ' ' LEU . . . . . . . . . . . . . 90.1 mt -64.73 -50.64 66.12 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.142 174.785 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . 83.87 15.07 71.11 Favored Glycine 0 CA--C 1.523 0.538 0 N-CA-C 111.241 -0.744 . . . . 0.0 111.241 167.085 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 157' ' ' TYR . . . . . . . . . . . . . 25.4 p90 -139.92 6.73 2.22 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.886 0.374 . . . . 0.0 111.233 177.317 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 158' ' ' VAL . . . . . . . . . . . . . 7.9 p -159.57 141.08 4.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.219 -178.815 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 159' ' ' TRP . . . . . . . . . . . . . 26.4 m-90 -120.49 136.29 54.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.215 -174.771 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 160' ' ' SER . . . . . . . . . . . . . 28.1 t -100.45 147.19 26.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.149 -178.499 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 161' ' ' CYS . . . . . . . . . . . . . 19.8 p -154.87 -179.37 7.97 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.216 174.079 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -99.25 140.32 21.59 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.231 172.741 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 163' ' ' PRO . . . . . . . . . . . . . 87.4 Cg_endo -78.14 64.96 8.43 Favored 'Trans proline' 0 N--CA 1.458 -0.608 0 C-N-CA 121.689 1.593 . . . . 0.0 111.198 179.841 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 164' ' ' THR . . . . . . . . . . . . . 10.4 p -129.95 -179.93 5.5 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.198 176.619 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 165' ' ' GLU . . . . . . . . . . . . . 25.1 pt-20 -69.69 -8.42 47.67 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.198 179.66 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 166' ' ' THR . . . . . . . . . . . . . 78.6 p -116.6 -36.58 3.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.226 -178.106 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 167' ' ' GLY . . . . . . . . . . . . . . . -72.86 -36.7 57.45 Favored Glycine 0 CA--C 1.523 0.584 0 N-CA-C 111.249 -0.741 . . . . 0.0 111.249 -177.645 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 168' ' ' LEU . . . . . . . . . . . . . 95.4 mt -65.22 -35.14 80.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.844 0.355 . . . . 0.0 111.166 178.202 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 93.8 mt -65.07 -45.46 94.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.203 174.012 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 170' ' ' ALA . . . . . . . . . . . . . . . -62.72 -36.74 83.97 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.244 178.374 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 171' ' ' GLY . . . . . . . . . . . . . . . -64.89 -43.89 95.4 Favored Glycine 0 CA--C 1.523 0.537 0 N-CA-C 111.125 -0.79 . . . . 0.0 111.125 177.799 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 80.5 mt -59.42 -44.94 92.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.839 0.352 . . . . 0.0 111.182 177.577 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 173' ' ' ARG . . . . . . . . . . . . . 55.0 ttm-85 -65.56 -38.32 89.23 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.192 177.487 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -62.72 -40.64 97.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.18 -177.796 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 56.4 p -65.1 -19.97 66.24 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.207 -177.823 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 176' ' ' GLN . . . . . . . . . . . . . 81.5 mt-30 -108.64 -4.56 16.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.221 -179.718 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 177' ' ' THR . . . . . . . . . . . . . 71.3 m -70.06 -47.84 60.3 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.165 177.797 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 178' ' ' GLU . . . . . . . . . . . . . 72.6 mm-40 -95.28 149.45 21.32 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.214 178.569 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 179' ' ' LYS . . . . . . . . . . . . . 88.9 tttt -63.24 125.03 22.73 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.276 179.228 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 180' ' ' LEU . . . . . . . . . . . . . 56.9 tp -72.81 118.56 15.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.191 -178.469 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 181' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -128.62 156.41 77.41 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.177 177.668 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 182' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_exo -52.9 138.99 61.02 Favored 'Trans proline' 0 N--CA 1.457 -0.627 0 C-N-CA 121.674 1.582 . . . . 0.0 111.259 175.199 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 183' ' ' PHE . . . . . 0.432 ' N ' ' CD1' ' A' ' 183' ' ' PHE . 5.5 m-30 -68.39 122.63 85.14 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-N 116.273 -0.422 . . . . 0.0 111.226 -173.031 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 184' ' ' PRO . . . . . . . . . . . . . 77.8 Cg_exo -56.44 -37.54 97.0 Favored 'Trans proline' 0 N--CA 1.458 -0.573 0 C-N-CA 121.644 1.562 . . . . 0.0 111.236 -177.542 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 185' ' ' VAL . . . . . . . . . . . . . 96.8 t -74.87 128.22 36.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.175 -178.372 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 186' ' ' SER . . . . . . . . . . . . . 86.2 p -115.47 6.01 14.63 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.209 -176.403 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 187' ' ' HIS . . . . . . . . . . . . . 91.0 m-70 -119.86 139.39 52.45 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.177 -177.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 188' ' ' ASN . . . . . 0.589 ' HB2' ' HD3' ' A' ' 189' ' ' PRO . 99.4 m-20 -69.23 -46.08 28.81 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.177 -178.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 189' ' ' PRO . . . . . 0.589 ' HD3' ' HB2' ' A' ' 188' ' ' ASN . 53.1 Cg_exo -55.27 -36.27 93.13 Favored 'Trans proline' 0 N--CA 1.458 -0.586 0 C-N-CA 121.681 1.587 . . . . 0.0 111.235 176.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 190' ' ' SER . . . . . . . . . . . . . 74.9 m -73.88 -37.16 64.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.162 -179.426 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 191' ' ' PHE . . . . . . . . . . . . . 6.5 m-85 -59.85 -48.29 82.28 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.17 175.055 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 192' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -68.15 -43.44 78.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.247 -179.178 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 193' ' ' ARG . . . . . . . . . . . . . 79.8 ttt180 -54.96 -56.51 18.85 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.199 177.436 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 194' ' ' LEU . . . . . . . . . . . . . 93.3 mt -63.8 -38.58 91.63 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.267 -176.55 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 195' ' ' LEU . . . . . . . . . . . . . 58.6 tp -55.81 -54.66 41.75 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.13 177.785 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 196' ' ' VAL . . . . . . . . . . . . . 78.6 t -72.05 -39.92 66.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.229 -174.46 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 197' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -63.98 -34.0 77.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.216 178.626 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 198' ' ' THR . . . . . . . . . . . . . 89.0 m -74.81 -48.75 23.58 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.225 178.876 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 199' ' ' ILE . . . . . . . . . . . . . 93.5 mt -65.19 -42.01 93.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.283 -179.105 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 200' ' ' TYR . . . . . . . . . . . . . 93.5 m-85 -102.52 33.1 3.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.142 -178.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 201' ' ' SER . . . . . . . . . . . . . 42.4 t . . . . . 0 C--O 1.2 -1.517 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.232 178.861 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.522 0.523 0 N-CA-C 111.2 -0.76 . . . . 0.0 111.2 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 43.0 pt -115.09 21.39 6.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.767 0.318 . . . . 0.0 111.167 179.596 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 42.6 pt -114.95 23.92 5.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.205 -178.1 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 88.3 tt0 -146.66 139.91 25.6 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.235 179.647 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . 0.463 ' HG3' ' HB ' ' A' ' 40' ' ' VAL . 81.7 tt0 -102.92 99.84 9.77 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.182 -179.115 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.43 ' HB2' ' HA ' ' A' ' 39' ' ' PHE . 90.8 mttt -99.55 153.42 19.05 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.199 179.852 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -110.06 130.2 55.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.214 178.441 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 51.9 tp -122.22 124.46 43.86 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.196 -174.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 42.3 m-85 -103.38 120.38 40.69 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.232 175.372 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 66.3 t -111.54 110.22 31.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.139 177.047 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 99.4 m -95.88 123.57 39.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.272 -174.415 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 41.3 t -77.6 131.5 37.84 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.205 175.789 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -74.82 173.29 52.37 Favored Glycine 0 CA--C 1.523 0.584 0 N-CA-C 111.245 -0.742 . . . . 0.0 111.245 177.275 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -67.95 -35.14 77.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.84 0.352 . . . . 0.0 111.197 -174.638 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 45.1 p -113.99 38.19 3.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.206 -174.813 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 98.1 t -105.61 118.4 55.59 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.237 -179.619 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_exo -54.67 135.0 65.36 Favored 'Trans proline' 0 N--CA 1.457 -0.619 0 C-N-CA 121.717 1.611 . . . . 0.0 111.174 177.278 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . 0.575 ' N ' ' CD ' ' A' ' 19' ' ' PRO . 94.4 m-85 -79.17 -40.96 1.57 Allowed Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.19 -177.767 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.575 ' CD ' ' N ' ' A' ' 18' ' ' PHE . 64.0 Cg_exo -55.47 -27.34 58.51 Favored 'Trans proline' 0 N--CA 1.458 -0.592 0 C-N-CA 121.701 1.601 . . . . 0.0 111.158 178.855 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 91.5 mttt -86.91 -60.74 1.9 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.198 -177.456 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 50.4 tp -58.39 -40.31 82.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.178 -172.034 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 53.7 t -56.83 -43.99 81.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.335 178.912 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 95.6 p -80.49 -17.97 50.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.23 -175.823 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 93.9 m -85.23 -15.79 42.36 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.172 -179.911 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 30.7 m -109.33 -11.53 11.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.132 176.376 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 99.2 mt -113.58 22.06 14.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.211 172.644 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 4.3 t -63.73 147.77 50.84 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.226 174.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 99.8 m-20 -68.88 -18.34 64.12 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.133 178.7 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -97.44 -38.29 9.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.27 177.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 75.9 t80 -57.23 -49.86 74.68 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.114 176.446 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 81.0 m -64.96 -35.74 82.13 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.259 -172.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 87.3 mt-30 -64.19 -48.96 73.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.23 179.341 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 68.6 mm-40 -64.83 -42.62 94.79 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.222 176.362 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 33.3 tp -49.98 -50.07 48.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.211 177.027 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 94.4 mt -63.39 -40.02 87.5 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.19 -179.503 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 88.2 mt-30 -73.95 -12.28 60.6 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.125 -179.057 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 21.9 m-30 -89.68 -5.49 57.02 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.225 174.424 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 97.58 4.39 58.15 Favored Glycine 0 CA--C 1.523 0.58 0 N-CA-C 111.154 -0.778 . . . . 0.0 111.154 176.271 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.43 ' HA ' ' HB2' ' A' ' 6' ' ' LYS . 71.2 m-85 -94.37 122.66 37.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.757 0.313 . . . . 0.0 111.22 -176.734 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.463 ' HB ' ' HG3' ' A' ' 5' ' ' GLU . 97.2 t -118.0 -43.96 3.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.215 -177.182 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 97.7 mtt180 -87.4 83.87 7.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.244 -176.185 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 56.2 tp -81.36 94.56 6.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.17 -179.604 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 79.8 mt -96.79 111.71 27.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.165 -177.228 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 61.1 mt -105.78 117.23 51.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.183 -169.158 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 49.3 tt0 -100.07 106.25 17.98 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.176 -170.708 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 44.3 m-85 -110.06 170.5 8.03 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.218 175.476 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -94.99 -153.5 30.29 Favored Glycine 0 CA--C 1.524 0.594 0 N-CA-C 111.174 -0.77 . . . . 0.0 111.174 -179.281 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 85.6 mtp180 -83.51 -8.49 59.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.829 0.347 . . . . 0.0 111.202 -177.931 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 95.4 m-20 -91.21 5.68 48.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.159 -173.061 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 86.2 t80 -153.54 129.94 10.59 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.214 176.291 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 95.5 p -74.79 164.51 26.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.212 -178.37 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 68.6 m -84.89 60.0 5.93 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.248 179.258 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 53.3 mt-10 -122.98 113.05 18.55 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.142 -175.871 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 54.0 m-85 -120.93 11.13 10.99 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.179 177.607 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 86.8 tt0 -51.43 -40.0 58.49 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.273 -0.422 . . . . 0.0 111.144 -171.905 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 85.7 t60 -55.94 -59.36 5.0 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.214 -174.406 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 93.5 mt -74.98 -31.55 61.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.178 -174.751 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 51.4 t -70.13 -40.02 77.77 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.224 -178.66 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 97.9 mm-40 -77.14 -32.43 56.37 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.215 177.914 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 88.1 tt0 -57.01 -45.18 83.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.182 173.291 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 32.9 tpt180 -71.34 -41.68 69.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.168 173.404 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 115.03 120.84 3.42 Favored Glycine 0 CA--C 1.523 0.558 0 N-CA-C 111.201 -0.76 . . . . 0.0 111.201 177.707 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 170.42 -175.0 44.45 Favored Glycine 0 CA--C 1.522 0.511 0 N-CA-C 111.149 -0.781 . . . . 0.0 111.149 -178.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 97.4 mm-40 -110.1 156.12 20.99 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.809 0.338 . . . . 0.0 111.219 -179.268 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 7.2 tmm_? -134.96 130.29 35.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.172 -175.332 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 40.2 tt0 -144.83 125.96 14.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.185 177.198 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 66.7 m -71.45 144.82 49.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.216 178.076 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 91.7 mm-40 -127.75 121.48 30.37 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.212 -173.898 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -94.17 81.16 4.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.162 172.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.423 ' HB ' ' HB2' ' A' ' 77' ' ' CYS . 80.6 mt -94.51 125.38 51.99 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.134 -165.85 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 82.3 Cg_exo -52.53 135.04 54.58 Favored 'Trans proline' 0 N--CA 1.458 -0.611 0 C-N-CA 121.693 1.595 . . . . 0.0 111.22 -174.932 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 96.7 mt -74.29 -44.13 49.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.196 179.446 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 98.8 m-20 -64.98 -28.42 69.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.171 -176.572 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 99.0 mm-40 -90.05 -47.2 7.98 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.146 -177.275 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 90.5 m-85 -119.9 -40.51 2.73 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.157 -172.478 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 101.69 0.42 52.68 Favored Glycine 0 CA--C 1.523 0.578 0 N-CA-C 111.165 -0.774 . . . . 0.0 111.165 172.804 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' CYS . . . . . 0.423 ' HB2' ' HB ' ' A' ' 70' ' ' ILE . 80.3 m -75.06 -46.52 34.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.83 0.348 . . . . 0.0 111.214 -175.62 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 88.03 -161.32 31.67 Favored Glycine 0 CA--C 1.523 0.581 0 N-CA-C 111.169 -0.772 . . . . 0.0 111.169 176.899 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 96.6 m-20 -87.46 -19.7 27.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.867 0.365 . . . . 0.0 111.224 -178.774 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 25.8 p -82.88 57.99 4.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.23 -179.037 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -152.32 144.09 23.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.185 -175.284 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 81.6 mtt85 -139.98 146.77 39.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.253 -179.016 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 64.4 tt0 -100.21 121.05 40.84 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.154 -178.855 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . 0.552 ' HB2' ' HB ' ' A' ' 93' ' ' VAL . 65.4 m-85 -117.13 109.98 17.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.163 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 92.8 t -113.01 109.61 29.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.194 -177.584 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.477 ' N ' HD23 ' A' ' 86' ' ' LEU . 2.1 pt? -140.76 172.43 12.71 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.252 -166.435 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 94.0 mtp 63.09 53.3 2.33 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.175 178.875 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 95.7 m-20 65.06 24.0 12.5 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.165 179.856 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 76.09 16.35 80.75 Favored Glycine 0 CA--C 1.523 0.542 0 N-CA-C 111.25 -0.74 . . . . 0.0 111.25 179.563 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -87.08 -25.48 24.14 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.788 0.327 . . . . 0.0 111.209 -177.239 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 63.0 tp -114.51 129.58 56.67 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.2 179.665 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -114.12 94.46 4.82 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.201 176.724 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . 0.552 ' HB ' ' HB2' ' A' ' 84' ' ' TYR . 90.9 t -89.26 127.87 41.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.106 178.155 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 88.6 mt -124.33 119.13 55.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.157 -170.657 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -65.03 141.79 43.94 Favored Glycine 0 CA--C 1.523 0.584 0 N-CA-C 111.211 -0.756 . . . . 0.0 111.211 172.712 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 46.0 t80 -169.3 155.0 6.12 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.806 0.336 . . . . 0.0 111.165 -168.566 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 50.1 p30 -141.95 -165.04 1.92 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.159 -179.651 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 95.4 m-85 -82.42 133.35 35.21 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.154 -177.086 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 10.2 t -134.59 -171.62 2.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.182 -172.324 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 40.7 p -125.39 -75.54 0.59 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.216 -172.372 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -56.78 -37.95 71.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.211 -171.075 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 27.1 ptm -82.35 6.53 16.73 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.142 -167.887 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 77.9 mt-30 -64.8 -23.93 67.39 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.2 172.67 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 95.5 p -92.15 -24.95 18.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.185 174.58 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 92.6 mt -69.8 -42.06 79.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.204 176.626 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 97.2 mt -58.25 -36.2 56.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.207 179.846 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 36.0 ttm180 -57.62 -36.54 71.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.211 178.527 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 67.9 m-20 -110.29 39.36 2.2 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.218 178.069 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 109' ' ' TYR . . . . . . . . . . . . . 92.6 t80 -145.06 -54.93 0.31 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.192 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 79.8 p -73.04 163.14 28.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.156 -172.858 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 50.5 m-20 -112.59 -31.89 6.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.184 174.406 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 59.4 tp -146.19 139.73 26.08 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.257 178.427 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 58.3 t -125.22 124.18 66.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.189 175.693 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 97.6 mt -96.4 125.31 49.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.147 175.756 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 48.7 m -119.93 161.49 20.78 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.188 -174.397 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 34.1 t-80 -109.99 144.76 38.06 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.234 -176.455 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -72.27 151.18 42.98 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.207 178.533 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 84.95 3.59 87.72 Favored Glycine 0 CA--C 1.524 0.606 0 N-CA-C 111.193 -0.763 . . . . 0.0 111.193 175.635 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 59.9 p -131.21 -179.71 5.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.795 0.331 . . . . 0.0 111.216 -177.504 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -97.7 5.03 61.86 Favored Glycine 0 CA--C 1.524 0.603 0 N-CA-C 111.2 -0.76 . . . . 0.0 111.2 -178.136 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 95.2 p -66.39 -27.34 67.78 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.763 0.316 . . . . 0.0 111.202 178.345 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 122' ' ' ILE . . . . . . . . . . . . . 92.2 mt -70.08 -46.19 73.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.18 176.197 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 56.5 tp -55.56 -38.75 69.73 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.209 175.825 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 98.9 m-20 -57.61 -50.01 74.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.223 177.133 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 78.2 p -72.75 -20.97 61.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.146 -177.633 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 85.0 mt -74.39 -32.21 62.64 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.218 172.907 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 36.8 mmt180 -82.53 -24.96 33.82 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.232 175.369 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 94.7 mt -74.25 -18.74 60.69 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.243 171.364 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 96.5 m-20 67.16 38.6 3.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.134 178.503 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 37.1 mmtm -110.08 154.11 42.9 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.207 178.78 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_exo -52.92 127.46 24.95 Favored 'Trans proline' 0 N--CA 1.457 -0.64 0 C-N-CA 121.735 1.623 . . . . 0.0 111.237 178.347 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 57.5 tp -95.21 112.18 23.93 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.231 -168.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 87.6 mt -101.45 119.72 50.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.129 165.847 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 96.3 t -102.16 119.83 51.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.152 -177.066 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 135' ' ' CYS . . . . . . . . . . . . . 90.8 m -92.69 131.69 37.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.162 175.351 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 136' ' ' VAL . . . . . 0.442 HG22 ' HA ' ' A' ' 162' ' ' ALA . 30.1 m -78.98 163.81 3.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.137 178.717 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 15.1 t-20 -97.18 170.06 9.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.213 -175.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 98.3 m-20 -80.3 -27.15 38.55 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.196 169.758 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 96.2 p -76.76 -17.4 59.08 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.173 178.566 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 55.1 tp -67.13 128.34 36.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.27 -178.665 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 141' ' ' MET . . . . . . . . . . . . . 58.2 ttm -60.48 139.59 57.66 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.262 -178.935 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 99.1 m-20 -57.38 -35.34 69.86 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.187 -178.016 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 99.3 m-20 -63.96 -35.41 80.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.237 176.174 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 144' ' ' HIS . . . . . . . . . . . . . 67.2 m170 -74.73 -31.07 61.72 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.174 177.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 145' ' ' GLN . . . . . . . . . . . . . 78.2 mt-30 -64.31 -40.71 96.45 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.215 175.343 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 146' ' ' GLN . . . . . . . . . . . . . 72.9 tp60 -70.03 -39.44 75.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.188 174.849 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 147' ' ' GLN . . . . . 0.444 ' OE1' ' OXT' ' A' ' 201' ' ' SER . 39.8 tt0 -55.0 -40.93 70.66 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.194 176.46 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 148' ' ' ILE . . . . . 0.554 HG13 ' O ' ' A' ' 201' ' ' SER . 82.1 mt -60.78 -50.19 81.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.191 175.867 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -62.68 -32.75 73.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.215 -179.258 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 99.1 m-20 -73.4 -48.16 36.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.137 -176.601 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 151' ' ' LYS . . . . . . . . . . . . . 74.7 mmtt -115.01 -59.82 1.97 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.168 -169.722 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 152' ' ' PHE . . . . . . . . . . . . . 90.3 t80 -55.11 -48.25 73.86 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.21 -168.434 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 153' ' ' VAL . . . . . . . . . . . . . 78.1 t -65.9 -30.17 49.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.225 -179.906 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 74.0 mm-40 -84.89 -3.42 58.69 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.168 -174.537 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 155' ' ' LEU . . . . . . . . . . . . . 87.7 mt -61.38 -34.79 75.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.175 178.053 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . 91.79 12.53 59.16 Favored Glycine 0 CA--C 1.523 0.559 0 N-CA-C 111.212 -0.755 . . . . 0.0 111.212 176.595 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 157' ' ' TYR . . . . . . . . . . . . . 95.2 m-85 -112.55 -43.29 3.5 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.839 0.352 . . . . 0.0 111.189 178.715 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 158' ' ' VAL . . . . . . . . . . . . . 66.6 t -131.89 132.11 61.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.128 -173.496 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 159' ' ' TRP . . . . . . . . . . . . . 63.4 t-105 -90.05 139.05 30.99 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.206 171.218 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 160' ' ' SER . . . . . . . . . . . . . 45.8 t -132.31 142.87 49.52 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.184 178.051 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 161' ' ' CYS . . . . . . . . . . . . . 31.6 p -154.14 175.08 13.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.2 -175.341 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 162' ' ' ALA . . . . . 0.442 ' HA ' HG22 ' A' ' 136' ' ' VAL . . . -83.24 140.17 42.23 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.218 176.043 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 163' ' ' PRO . . . . . . . . . . . . . 84.3 Cg_endo -78.18 65.12 8.45 Favored 'Trans proline' 0 N--CA 1.459 -0.557 0 C-N-CA 121.643 1.562 . . . . 0.0 111.22 179.793 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 164' ' ' THR . . . . . . . . . . . . . 18.8 p -125.03 179.93 4.83 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.174 178.616 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 165' ' ' GLU . . . . . . . . . . . . . 22.9 pt-20 -70.07 -10.04 57.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.213 178.685 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 166' ' ' THR . . . . . . . . . . . . . 74.0 p -111.99 -36.78 5.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.169 -178.707 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 167' ' ' GLY . . . . . . . . . . . . . . . -74.3 -37.12 48.7 Favored Glycine 0 CA--C 1.523 0.585 0 N-CA-C 111.161 -0.776 . . . . 0.0 111.161 -177.555 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 168' ' ' LEU . . . . . . . . . . . . . 96.3 mt -67.61 -31.52 71.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.798 0.332 . . . . 0.0 111.208 179.093 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 83.9 mt -64.56 -45.18 96.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.205 175.207 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 170' ' ' ALA . . . . . . . . . . . . . . . -62.68 -37.89 88.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.172 178.102 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 171' ' ' GLY . . . . . . . . . . . . . . . -62.96 -45.82 94.84 Favored Glycine 0 CA--C 1.523 0.578 0 N-CA-C 111.144 -0.782 . . . . 0.0 111.144 176.769 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 84.0 mt -61.43 -42.95 99.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.782 0.325 . . . . 0.0 111.135 179.476 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 173' ' ' ARG . . . . . . . . . . . . . 35.2 ttm180 -64.14 -40.1 95.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.204 178.422 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -64.95 -40.11 94.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.276 -178.26 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 60.5 p -64.98 -25.5 67.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.234 -177.922 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 176' ' ' GLN . . . . . . . . . . . . . 89.7 mm-40 -102.4 -27.6 12.72 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.156 -175.433 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 177' ' ' THR . . . . . . . . . . . . . 96.7 m -99.8 -53.53 3.15 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.168 -175.192 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 178' ' ' GLU . . . . . . . . . . . . . 75.7 mm-40 -82.14 141.74 32.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.236 -173.205 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 179' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -80.06 110.11 15.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.183 177.624 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 180' ' ' LEU . . . . . . . . . . . . . 93.7 mt -105.24 122.65 46.38 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.203 175.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 181' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -80.21 154.96 74.8 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.194 -177.845 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 182' ' ' PRO . . . . . . . . . . . . . 78.2 Cg_exo -55.17 129.14 33.65 Favored 'Trans proline' 0 N--CA 1.457 -0.651 0 C-N-CA 121.693 1.596 . . . . 0.0 111.241 -178.663 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 183' ' ' PHE . . . . . . . . . . . . . 12.3 t80 -60.15 122.25 65.23 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.231 178.196 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 184' ' ' PRO . . . . . . . . . . . . . 94.3 Cg_exo -55.77 -37.31 95.76 Favored 'Trans proline' 0 N--CA 1.459 -0.548 0 C-N-CA 121.643 1.562 . . . . 0.0 111.197 -170.392 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 185' ' ' VAL . . . . . . . . . . . . . 87.2 t -64.63 123.5 17.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.193 -173.898 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 186' ' ' SER . . . . . . . . . . . . . 87.0 p -121.66 0.13 9.8 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.154 176.774 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 187' ' ' HIS . . . . . . . . . . . . . 92.0 m-70 -115.72 149.4 38.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.206 -176.689 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 188' ' ' ASN . . . . . 0.61 ' HB2' ' HD3' ' A' ' 189' ' ' PRO . 98.5 m-20 -70.1 -47.22 21.75 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.183 -177.175 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 189' ' ' PRO . . . . . 0.61 ' HD3' ' HB2' ' A' ' 188' ' ' ASN . 51.6 Cg_exo -56.83 -39.55 90.59 Favored 'Trans proline' 0 N--CA 1.458 -0.612 0 C-N-CA 121.652 1.568 . . . . 0.0 111.2 178.446 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 190' ' ' SER . . . . . . . . . . . . . 72.7 m -69.13 -39.86 78.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.149 179.323 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 191' ' ' PHE . . . . . . . . . . . . . 62.0 t80 -56.34 -46.95 79.7 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.197 174.638 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 192' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -59.82 -33.45 71.76 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.204 -175.236 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 193' ' ' ARG . . . . . . . . . . . . . 79.9 ttt180 -68.83 -61.37 1.84 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.206 177.222 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 194' ' ' LEU . . . . . . . . . . . . . 1.9 mp -65.15 -24.21 67.33 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.228 -175.194 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 195' ' ' LEU . . . . . 0.439 ' HA ' HD12 ' A' ' 199' ' ' ILE . 61.3 tp -48.74 -44.99 39.02 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.224 178.917 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 196' ' ' VAL . . . . . . . . . . . . . 93.5 t -86.72 -48.07 15.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.136 176.888 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 197' ' ' GLU . . . . . . . . . . . . . 92.3 mt-10 -58.89 -53.63 56.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.188 -167.902 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 198' ' ' THR . . . . . . . . . . . . . 70.6 p -114.36 -38.96 3.94 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.226 -167.738 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 199' ' ' ILE . . . . . 0.439 HD12 ' HA ' ' A' ' 195' ' ' LEU . 93.6 mt -74.52 -58.57 4.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.162 -174.137 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 200' ' ' TYR . . . . . . . . . . . . . 87.7 t80 -71.39 -59.29 2.84 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.137 178.159 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 201' ' ' SER . . . . . 0.554 ' O ' HG13 ' A' ' 148' ' ' ILE . 40.4 t . . . . . 0 C--O 1.2 -1.504 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.215 178.204 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.571 0 N-CA-C 111.218 -0.753 . . . . 0.0 111.218 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 96.7 mt -65.09 -45.0 95.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-O 120.722 0.296 . . . . 0.0 111.152 -179.434 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 97.1 mt -70.02 -49.52 55.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.17 179.282 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -152.72 131.49 12.4 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.181 178.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -95.0 83.44 3.95 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.232 176.661 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 88.8 mttt -74.5 151.47 39.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.211 -174.316 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.466 ' HB3' ' HA ' ' A' ' 110' ' ' SER . . . -120.39 140.87 50.7 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.24 -176.878 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 63.2 tp -123.79 113.95 19.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.196 -173.916 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 62.4 t80 -89.71 106.55 18.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.17 -176.842 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 89.7 t -103.13 115.35 44.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.217 -177.459 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 96.4 m -101.74 110.21 22.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.172 176.566 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 90.1 m -79.81 140.42 36.86 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.233 -179.282 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -84.45 170.27 46.34 Favored Glycine 0 CA--C 1.523 0.574 0 N-CA-C 111.233 -0.747 . . . . 0.0 111.233 -179.231 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -97.53 -5.01 36.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.776 0.322 . . . . 0.0 111.162 -178.113 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 69.5 p -87.63 -19.46 27.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.21 -178.556 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 79.6 t -114.87 130.17 24.4 Favored Pre-proline 0 C--N 1.33 -0.249 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.152 176.458 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 85.6 Cg_exo -48.55 126.87 15.01 Favored 'Trans proline' 0 N--CA 1.459 -0.557 0 C-N-CA 121.674 1.583 . . . . 0.0 111.209 177.611 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . 0.532 ' HB2' ' HD3' ' A' ' 19' ' ' PRO . 18.3 m-85 -61.58 -44.55 92.11 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.242 -175.247 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.532 ' HD3' ' HB2' ' A' ' 18' ' ' PHE . 67.8 Cg_exo -55.02 -35.15 89.48 Favored 'Trans proline' 0 N--CA 1.458 -0.588 0 C-N-CA 121.725 1.617 . . . . 0.0 111.178 178.289 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -91.87 -18.85 23.19 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.237 -176.215 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 36.6 tp -81.28 -38.85 26.16 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.231 -177.353 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 27.1 m -67.42 -17.17 22.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.208 -175.66 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 60.5 p -66.96 -16.42 64.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.192 179.875 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 78.0 m -84.82 -14.96 46.45 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.246 -179.853 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 35.7 m -118.75 -3.58 10.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.186 -179.089 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 96.2 mt -117.28 12.43 14.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.161 179.11 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 69.6 p -74.97 159.95 31.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.162 178.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 98.9 m-20 -62.87 -36.92 84.87 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.171 177.43 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 76.7 mm-40 -71.99 -43.85 64.42 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.242 -178.755 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 46.8 t80 -64.95 -49.24 71.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.21 -179.096 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 81.2 m -67.62 -40.03 84.69 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.207 -174.518 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 66.3 tt0 -56.7 -55.81 29.41 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.245 175.749 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.426 ' HB2' HG12 ' A' ' 169' ' ' ILE . 69.7 mm-40 -64.39 -40.7 96.33 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.204 179.356 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 37.9 tp -48.07 -50.92 26.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.225 174.459 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 94.3 mt -62.44 -40.06 86.67 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.196 178.582 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 99.8 mm-40 -64.86 -23.87 67.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.236 -179.147 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 13.7 m-30 -87.34 -5.02 59.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.154 -179.802 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 99.63 5.06 55.7 Favored Glycine 0 CA--C 1.524 0.597 0 N-CA-C 111.266 -0.734 . . . . 0.0 111.266 176.201 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 68.4 m-85 -96.24 122.31 38.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.83 0.348 . . . . 0.0 111.213 -175.908 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 34.0 m -130.28 -11.3 2.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.188 -178.492 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 74.9 mtm180 -107.16 88.07 2.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.244 -179.762 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 53.0 tp -90.55 124.71 35.24 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.193 -175.898 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.449 HG23 ' CD1' ' A' ' 96' ' ' PHE . 3.3 mp -109.93 123.05 65.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.214 177.892 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 80.9 mt -118.65 111.69 34.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.111 179.31 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 62.3 tp60 -85.11 126.95 34.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.205 -175.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 52.4 m-85 -110.08 155.02 22.44 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.19 173.117 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -80.34 -171.24 43.06 Favored Glycine 0 CA--C 1.524 0.641 0 N-CA-C 111.145 -0.782 . . . . 0.0 111.145 178.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 83.4 mtp180 -79.96 -19.97 46.69 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.827 0.346 . . . . 0.0 111.215 -176.733 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 72.6 m-80 -104.74 14.88 28.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.208 -178.227 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 81.9 m-85 -130.78 150.49 51.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.17 -176.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 41.1 t -120.75 120.34 35.35 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.215 -174.735 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 60.6 p -69.86 86.61 0.51 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.19 176.497 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -123.19 106.87 11.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.222 177.806 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 23.1 m-85 -114.88 17.96 16.71 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.213 178.742 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 85.8 tt0 -57.49 -35.59 70.41 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.217 -175.925 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 43.0 p-80 -79.56 -10.89 59.88 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.231 -177.719 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 98.9 mt -96.95 -37.19 10.29 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.231 -177.116 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 22.5 m -68.64 -17.15 21.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.206 -179.023 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 88.8 mt-30 -64.54 -27.22 68.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.165 171.049 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 94.2 mt-10 -104.97 18.78 21.76 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.227 176.382 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 89.2 mmt-85 -129.56 -0.02 4.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.142 178.611 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 76.28 39.57 31.04 Favored Glycine 0 CA--C 1.523 0.538 0 N-CA-C 111.208 -0.757 . . . . 0.0 111.208 173.673 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -147.92 -146.37 4.33 Favored Glycine 0 CA--C 1.524 0.616 0 N-CA-C 111.197 -0.761 . . . . 0.0 111.197 -179.266 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 20.4 pt20 -168.57 171.3 8.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.814 0.34 . . . . 0.0 111.163 -172.591 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 67.3 ttp85 -99.97 140.02 34.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.207 179.767 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 87.3 tt0 -147.86 113.51 5.69 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.236 174.343 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 39.9 t -69.93 134.43 48.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.136 174.034 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 17.0 mm-40 -129.57 141.28 50.99 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.19 -176.11 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -95.06 65.02 2.84 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.214 172.455 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 86.7 mt -79.37 133.43 60.13 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.159 -178.615 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 56.0 Cg_endo -72.2 171.09 17.55 Favored 'Trans proline' 0 N--CA 1.458 -0.598 0 C-N-CA 121.699 1.599 . . . . 0.0 111.227 -176.55 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 47.7 pt -81.9 -8.51 11.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.182 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 69.7 m-20 -89.63 -23.31 21.95 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.171 -179.103 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 63.6 tp60 -82.24 -67.28 0.8 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.218 -177.21 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . 0.427 ' HB2' ' SG ' ' A' ' 77' ' ' CYS . 51.0 m-85 -125.7 2.36 7.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.257 -179.835 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 83.26 39.46 9.92 Favored Glycine 0 CA--C 1.524 0.612 0 N-CA-C 111.148 -0.781 . . . . 0.0 111.148 -179.321 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' CYS . . . . . 0.427 ' SG ' ' HB2' ' A' ' 75' ' ' PHE . 72.5 m -112.28 -178.33 3.39 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.838 0.351 . . . . 0.0 111.191 -173.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -139.49 -143.39 4.39 Favored Glycine 0 CA--C 1.523 0.541 0 N-CA-C 111.226 -0.75 . . . . 0.0 111.226 176.232 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 55.8 p-10 -102.51 8.45 39.93 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.812 0.339 . . . . 0.0 111.289 -175.252 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 73.2 p -121.39 28.79 7.57 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.241 171.781 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -93.15 137.25 32.66 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.173 171.757 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 95.9 mtt180 -122.39 112.52 18.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.162 -175.27 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 56.3 tt0 -78.58 137.33 37.82 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.213 179.192 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 96.4 m-85 -130.02 134.78 47.64 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.19 178.639 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.453 HG13 ' HA2' ' A' ' 89' ' ' GLY . 86.3 t -91.72 117.21 34.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.166 176.698 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 4.0 mp -122.16 156.54 33.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.206 179.598 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 83.8 mmm 59.96 38.76 20.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.205 174.836 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 78.0 m-20 60.31 34.86 20.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.183 177.075 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . 0.453 ' HA2' HG13 ' A' ' 85' ' ' VAL . . . 94.3 2.94 63.56 Favored Glycine 0 CA--C 1.523 0.562 0 N-CA-C 111.156 -0.777 . . . . 0.0 111.156 172.643 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -85.96 -22.01 27.58 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.775 0.322 . . . . 0.0 111.195 -178.331 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 61.4 tp -123.59 133.01 54.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.131 179.44 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -109.5 108.63 19.18 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.222 177.423 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 60.5 t -108.75 124.45 65.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.199 -178.491 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 82.1 mt -114.71 120.56 64.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.174 178.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -85.0 133.97 12.24 Favored Glycine 0 CA--C 1.523 0.589 0 N-CA-C 111.2 -0.76 . . . . 0.0 111.2 174.861 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' PHE . . . . . 0.449 ' CD1' HG23 ' A' ' 43' ' ' ILE . 61.7 m-85 -114.87 107.77 15.85 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.813 0.34 . . . . 0.0 111.16 -175.013 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 70.4 m-20 -94.31 67.15 3.48 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.23 171.298 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 91.6 m-85 -129.63 164.69 23.35 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.218 -177.199 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 77.3 p -75.12 -176.29 2.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.142 173.176 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 68.6 p -74.89 -5.42 43.6 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.173 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -63.86 -30.07 71.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.226 176.088 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 24.5 mmt -91.33 -0.31 57.64 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.207 -179.439 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 29.2 tt0 -64.27 -60.09 3.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.264 -176.505 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 73.7 m -65.11 -32.8 74.68 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.259 -179.061 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 95.9 mt -61.7 -46.38 96.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.255 179.081 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 84.8 mt -72.61 -38.06 58.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.157 -179.08 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 42.2 mtm105 -61.83 -26.19 67.97 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.21 -176.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 99.0 m-20 -64.36 -23.63 67.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.236 176.441 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 109' ' ' TYR . . . . . . . . . . . . . 96.3 m-85 -97.26 -24.0 15.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.207 -179.909 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . 0.466 ' HA ' ' HB3' ' A' ' 7' ' ' ALA . 54.6 p -70.65 163.58 26.76 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.246 179.722 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 61.9 m-20 -108.97 -40.48 5.0 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.187 176.068 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 94.4 mt -123.93 154.84 39.17 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.234 173.892 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 94.6 t -124.08 124.96 70.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.228 -179.379 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 97.6 mt -105.85 129.04 59.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.169 174.396 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 33.3 t -115.09 114.45 25.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.151 177.141 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 86.8 m-70 -86.87 143.12 27.58 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.187 -178.792 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . 54.89 50.65 15.15 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.195 170.678 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 128.59 -173.33 19.22 Favored Glycine 0 CA--C 1.524 0.596 0 N-CA-C 111.211 -0.755 . . . . 0.0 111.211 176.682 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 57.9 p -109.32 35.38 3.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.769 0.318 . . . . 0.0 111.187 -173.884 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -58.2 -41.21 94.68 Favored Glycine 0 CA--C 1.523 0.586 0 N-CA-C 111.159 -0.776 . . . . 0.0 111.159 -172.594 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 71.0 m -109.13 30.4 6.61 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.804 0.335 . . . . 0.0 111.219 -175.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 122' ' ' ILE . . . . . . . . . . . . . 48.8 mm -104.81 -52.77 7.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.193 178.572 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 97.9 mt -66.09 -22.8 66.42 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.093 175.711 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 94.9 m-20 -78.66 -17.95 55.18 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.223 177.555 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 39.4 m -114.87 35.0 4.5 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.217 -170.603 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 94.5 mt -89.97 -25.98 20.61 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.235 -179.414 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 98.5 mtt180 -78.02 -22.64 48.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.223 179.233 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 93.7 mt -66.81 -34.6 78.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.233 175.689 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 78.8 m-20 64.97 35.02 8.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.189 -179.813 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 40.5 mmtm -114.03 153.74 46.17 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.185 179.652 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_exo -49.59 123.74 10.98 Favored 'Trans proline' 0 N--CA 1.458 -0.61 0 C-N-CA 121.603 1.535 . . . . 0.0 111.293 175.334 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 81.4 mt -108.2 139.97 42.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.198 -176.832 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 87.3 mt -116.4 130.24 71.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.223 -177.224 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 86.3 t -116.22 125.01 73.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.197 172.283 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 135' ' ' CYS . . . . . . . . . . . . . 47.2 t -105.57 110.02 22.2 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.224 178.75 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 97.0 t -75.71 135.6 26.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.163 -175.344 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 42.1 p30 -80.02 -174.36 4.41 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.19 -175.699 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 57.0 p-10 -99.49 15.28 27.0 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.235 -172.76 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 82.6 p -91.95 -9.98 41.09 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.171 177.442 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 87.9 mt -110.71 162.3 14.9 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.158 178.158 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 141' ' ' MET . . . . . . . . . . . . . 97.2 mmm -89.91 171.73 9.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.179 -176.293 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 99.1 m-20 -65.16 -35.32 80.74 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.245 178.85 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 99.0 m-20 -64.91 -35.78 82.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.224 174.313 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 144' ' ' HIS . . . . . . . . . . . . . 44.1 m170 -64.93 -39.99 94.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.209 174.838 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 145' ' ' GLN . . . . . . . . . . . . . 88.1 mt-30 -62.21 -39.79 93.95 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.202 178.65 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 146' ' ' GLN . . . . . . . . . . . . . 72.4 tp60 -64.93 -44.28 90.02 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.193 179.125 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 147' ' ' GLN . . . . . . . . . . . . . 88.4 mt-30 -64.91 -38.1 89.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.142 179.082 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 148' ' ' ILE . . . . . . . . . . . . . 89.3 mt -64.71 -45.08 96.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.219 175.779 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -64.25 -39.85 94.79 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.163 -179.676 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 95.7 m-20 -58.68 -41.85 87.13 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.196 -179.221 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 151' ' ' LYS . . . . . . . . . . . . . 96.5 mttt -73.66 -30.74 63.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.204 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 152' ' ' PHE . . . . . . . . . . . . . 15.5 m-30 -69.98 -28.45 65.55 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.225 175.395 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 153' ' ' VAL . . . . . . . . . . . . . 55.1 t -69.73 -40.04 78.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.198 171.623 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -61.41 -35.19 76.84 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.168 175.294 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 155' ' ' LEU . . . . . . . . . . . . . 82.2 mt -68.23 -50.21 55.56 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.297 173.15 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . 84.96 16.63 64.83 Favored Glycine 0 CA--C 1.524 0.629 0 N-CA-C 111.19 -0.764 . . . . 0.0 111.19 168.912 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 157' ' ' TYR . . . . . . . . . . . . . 54.4 p90 -143.8 8.12 1.48 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.803 0.335 . . . . 0.0 111.142 175.695 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 158' ' ' VAL . . . . . . . . . . . . . 55.7 t -120.21 134.49 63.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.244 -178.083 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 159' ' ' TRP . . . . . . . . . . . . . 81.0 m95 -97.73 146.64 25.16 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.159 175.431 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 160' ' ' SER . . . . . . . . . . . . . 41.3 t -110.45 115.68 30.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.158 174.139 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 161' ' ' CYS . . . . . . . . . . . . . 92.9 m -114.03 149.64 35.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.222 -178.746 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -81.63 159.62 66.23 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.214 174.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 163' ' ' PRO . . . . . . . . . . . . . 89.9 Cg_endo -78.47 60.75 7.67 Favored 'Trans proline' 0 N--CA 1.458 -0.593 0 C-N-CA 121.763 1.642 . . . . 0.0 111.175 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 164' ' ' THR . . . . . . . . . . . . . 36.7 p -136.05 173.66 11.47 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.197 178.735 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 165' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -70.62 -29.23 65.56 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.198 -178.631 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 166' ' ' THR . . . . . . . . . . . . . 81.9 p -103.55 -21.25 13.78 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.253 -174.083 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 167' ' ' GLY . . . . . . . . . . . . . . . -66.33 -37.43 92.82 Favored Glycine 0 CA--C 1.524 0.604 0 N-CA-C 111.209 -0.756 . . . . 0.0 111.209 -179.274 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 168' ' ' LEU . . . . . . . . . . . . . 52.2 tp -74.89 -47.82 28.05 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.798 0.333 . . . . 0.0 111.2 -177.906 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 169' ' ' ILE . . . . . 0.426 HG12 ' HB2' ' A' ' 33' ' ' GLU . 10.4 tp -65.27 -25.35 37.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.18 -177.672 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 170' ' ' ALA . . . . . . . . . . . . . . . -65.16 -41.5 94.62 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.215 174.466 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 171' ' ' GLY . . . . . . . . . . . . . . . -69.26 -34.4 75.03 Favored Glycine 0 CA--C 1.524 0.629 0 N-CA-C 111.167 -0.773 . . . . 0.0 111.167 177.846 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 30.6 tp -65.07 -39.96 94.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.81 0.338 . . . . 0.0 111.235 176.12 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 173' ' ' ARG . . . . . . . . . . . . . 40.6 ttm180 -58.96 -46.06 88.98 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.208 171.497 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -57.77 -38.71 75.91 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.199 -177.904 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 73.7 m -57.57 -36.7 72.04 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.23 177.295 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 176' ' ' GLN . . . . . . . . . . . . . 91.7 mm-40 -97.78 -4.96 35.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.104 -173.647 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 177' ' ' THR . . . . . . . . . . . . . 93.3 m -113.82 -50.15 2.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.181 -174.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 178' ' ' GLU . . . . . . . . . . . . . 72.4 mm-40 -93.16 155.11 17.67 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.215 -176.212 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 179' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -95.49 120.4 35.68 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.249 -177.535 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 180' ' ' LEU . . . . . . . . . . . . . 95.2 mt -93.47 160.7 14.68 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.205 173.023 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 181' ' ' LYS . . . . . . . . . . . . . 94.8 mttt -103.0 159.96 27.66 Favored Pre-proline 0 C--N 1.327 -0.388 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.259 -175.572 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 182' ' ' PRO . . . . . . . . . . . . . 65.9 Cg_exo -54.14 147.82 42.72 Favored 'Trans proline' 0 N--CA 1.458 -0.579 0 C-N-CA 121.692 1.595 . . . . 0.0 111.22 179.06 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 183' ' ' PHE . . . . . 0.457 ' HD1' ' N ' ' A' ' 183' ' ' PHE . 2.5 m-30 -69.92 124.55 90.89 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.165 -171.629 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 184' ' ' PRO . . . . . . . . . . . . . 83.7 Cg_endo -78.28 0.21 10.11 Favored 'Trans proline' 0 N--CA 1.459 -0.551 0 C-N-CA 121.668 1.579 . . . . 0.0 111.194 177.661 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 185' ' ' VAL . . . . . . . . . . . . . 5.7 m -66.59 -22.14 29.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.23 -175.234 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 186' ' ' SER . . . . . . . . . . . . . 97.7 p -95.29 0.06 53.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.243 178.484 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 187' ' ' HIS . . . . . . . . . . . . . 97.5 m-70 -129.93 -5.06 4.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.217 -176.699 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 188' ' ' ASN . . . . . . . . . . . . . 64.0 t-20 -152.97 105.96 2.65 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.24 -177.877 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 189' ' ' PRO . . . . . . . . . . . . . 51.9 Cg_exo -63.54 -15.08 46.44 Favored 'Trans proline' 0 N--CA 1.458 -0.596 0 C-N-CA 121.753 1.636 . . . . 0.0 111.178 -173.433 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 190' ' ' SER . . . . . . . . . . . . . 60.9 p -64.79 -11.89 41.75 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.17 -173.924 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 191' ' ' PHE . . . . . . . . . . . . . 7.1 p90 -60.05 -24.49 64.6 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.203 176.703 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 192' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -73.6 -10.54 59.81 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.197 179.346 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 193' ' ' ARG . . . . . . . . . . . . . 79.0 ttt180 -99.98 -39.69 8.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.24 176.525 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 194' ' ' LEU . . . . . . . . . . . . . 93.5 mt -65.84 -35.12 79.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.212 -173.701 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 195' ' ' LEU . . . . . 0.48 ' HA ' HD13 ' A' ' 195' ' ' LEU . 1.1 mm? -84.19 -39.99 18.68 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.208 -177.412 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 196' ' ' VAL . . . . . . . . . . . . . 54.2 t -70.5 -36.5 66.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.166 -173.191 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 197' ' ' GLU . . . . . . . . . . . . . 83.9 mt-10 -61.9 -30.42 70.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.201 -179.634 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 198' ' ' THR . . . . . . . . . . . . . 87.0 m -68.6 -55.33 11.93 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.198 178.852 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 199' ' ' ILE . . . . . . . . . . . . . 15.9 tt -68.02 -22.71 28.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.211 -179.249 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 200' ' ' TYR . . . . . . . . . . . . . 92.6 t80 -67.31 -49.61 63.45 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.213 172.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 201' ' ' SER . . . . . . . . . . . . . 91.7 p . . . . . 0 C--O 1.199 -1.562 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.191 179.539 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.543 0 N-CA-C 111.182 -0.767 . . . . 0.0 111.182 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 46.2 pt -99.52 0.0 10.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.712 0.292 . . . . 0.0 111.148 -179.077 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 97.2 mt -68.56 -51.35 47.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.227 -177.601 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -103.6 -29.99 10.76 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.159 -173.505 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 -87.43 153.22 21.61 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.177 -175.141 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 68.0 mmtt -61.03 111.93 1.88 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.198 -172.608 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -125.23 130.24 51.69 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.227 -175.893 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 60.5 tp -106.54 126.45 52.28 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.195 178.338 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 67.0 t80 -106.77 119.93 40.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.291 -177.634 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 89.7 t -105.64 131.83 54.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.162 177.523 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 96.8 m -113.62 123.23 49.45 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.216 -175.855 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 75.2 m -94.62 144.58 25.49 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.257 166.5 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -63.38 138.08 43.06 Favored Glycine 0 CA--C 1.523 0.562 0 N-CA-C 111.243 -0.743 . . . . 0.0 111.243 -178.594 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.16 -34.13 76.97 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.798 0.332 . . . . 0.0 111.236 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 82.4 p -108.47 -24.93 11.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.215 177.68 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 44.2 t -125.01 87.16 55.8 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.236 179.662 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 57.3 Cg_endo -68.29 154.97 70.95 Favored 'Trans proline' 0 N--CA 1.458 -0.58 0 C-N-CA 121.719 1.613 . . . . 0.0 111.184 177.716 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 78.7 m-85 -127.91 75.02 78.61 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.215 -176.519 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 37.9 Cg_endo -66.59 -24.81 47.98 Favored 'Trans proline' 0 N--CA 1.457 -0.62 0 C-N-CA 121.724 1.616 . . . . 0.0 111.169 -179.209 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -64.6 -38.61 91.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.249 179.261 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 95.1 mt -79.74 -35.86 38.16 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.117 -179.816 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 65.6 t -69.99 -29.76 41.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.174 -179.755 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 56.0 p -65.03 -23.16 67.11 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.206 178.824 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 95.6 m -90.1 -39.68 12.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.174 -175.168 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 18.1 m -70.66 -18.27 20.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.171 -178.832 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 96.4 mt -94.07 -6.57 44.81 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.185 177.41 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 47.8 m -77.31 151.3 35.06 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.186 178.374 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 99.1 m-20 -62.42 -34.07 76.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.235 -175.135 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -61.09 -47.42 86.37 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.237 -178.237 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 52.4 t80 -65.53 -46.42 79.66 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.146 176.811 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 87.0 m -64.98 -29.84 70.79 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.212 -175.065 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 72.2 tp60 -64.45 -47.61 78.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.189 176.717 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 69.9 mm-40 -68.69 -37.73 79.78 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.2 175.921 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 48.8 tp -54.93 -53.28 57.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.202 177.583 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 97.7 mt -64.91 -36.36 77.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.242 178.126 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 71.9 tp60 -60.03 -29.99 68.88 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.213 176.926 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 16.5 m-30 -83.77 -6.54 59.46 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.189 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 106.8 -4.69 36.58 Favored Glycine 0 CA--C 1.524 0.615 0 N-CA-C 111.206 -0.757 . . . . 0.0 111.206 177.179 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 57.0 m-85 -88.53 123.33 32.93 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.757 0.313 . . . . 0.0 111.233 -174.58 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 29.3 m -124.6 -4.91 6.45 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.25 -174.255 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 87.0 mtt-85 -122.29 133.83 54.67 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.152 176.731 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 64.5 tp -135.79 114.84 12.26 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.258 -175.163 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 4.7 mp -115.32 120.07 63.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.257 -173.61 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 5.1 mp -110.2 116.13 51.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.21 -177.158 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 1.2 tm0? -86.18 128.81 34.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.296 176.501 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 33.8 p90 -146.58 179.86 7.26 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.135 178.725 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -137.51 89.01 0.21 Allowed Glycine 0 CA--C 1.525 0.667 0 N-CA-C 111.168 -0.773 . . . . 0.0 111.168 -158.546 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 85.3 mtp180 68.0 -107.93 0.09 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.823 0.344 . . . . 0.0 111.172 165.736 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 97.1 m-20 -58.77 -29.89 67.14 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.235 -169.342 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 70.4 t80 -55.57 -33.62 64.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.231 179.186 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 85.9 p -52.91 -31.54 40.46 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.156 -174.399 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 73.6 m -61.68 -39.65 92.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.182 177.493 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 75.6 mm-40 -79.92 -34.25 39.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.255 178.61 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 88.2 t80 -59.09 -48.35 81.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.218 -179.03 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 84.6 tt0 -57.34 -38.62 74.41 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.202 176.516 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 67.0 m170 -69.79 -31.77 69.88 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.227 179.906 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 91.8 mt -70.82 -30.79 67.32 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.203 177.106 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 71.2 t -74.97 -39.09 44.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.212 172.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 98.1 mm-40 -79.78 -8.57 59.34 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.184 179.147 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 52.3 tp10 -65.81 -30.01 70.57 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.243 170.178 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 41.0 mmt180 -109.7 -0.04 18.72 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.159 179.468 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 82.02 38.74 12.69 Favored Glycine 0 CA--C 1.524 0.633 0 N-CA-C 111.146 -0.781 . . . . 0.0 111.146 172.479 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -77.64 174.44 54.74 Favored Glycine 0 CA--C 1.523 0.593 0 N-CA-C 111.151 -0.78 . . . . 0.0 111.151 175.874 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 65.5 tp60 -120.85 120.03 34.36 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.81 0.338 . . . . 0.0 111.236 -179.882 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 62.0 ttp85 -82.27 134.97 35.3 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.234 174.328 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -136.28 142.51 43.95 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.238 178.835 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 38.0 t -90.94 105.66 17.98 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.203 179.427 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 90.7 mm-40 -124.93 153.14 43.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.236 -178.613 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -90.77 74.95 6.56 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.201 177.543 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 49.9 mm -65.99 118.46 52.51 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.263 -175.352 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 77.1 Cg_exo -58.96 156.96 30.93 Favored 'Trans proline' 0 N--CA 1.458 -0.617 0 C-N-CA 121.722 1.615 . . . . 0.0 111.189 -174.315 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 96.8 mt -87.33 -40.2 13.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.16 173.322 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 15.7 p-10 -77.27 -16.32 59.04 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.264 -172.874 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 96.8 mm-40 -108.39 -22.77 12.18 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.196 -179.032 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 84.5 m-85 -129.12 -59.99 1.09 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.127 177.354 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 121.46 24.25 2.43 Favored Glycine 0 CA--C 1.523 0.564 0 N-CA-C 111.16 -0.776 . . . . 0.0 111.16 -178.111 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 76.7 m -112.47 147.05 37.34 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.738 0.304 . . . . 0.0 111.203 -178.763 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -97.91 -137.85 9.88 Favored Glycine 0 CA--C 1.524 0.641 0 N-CA-C 111.179 -0.768 . . . . 0.0 111.179 175.482 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 58.4 p-10 -91.1 10.19 27.86 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.801 0.334 . . . . 0.0 111.213 174.19 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 41.8 p -109.44 37.37 2.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.197 179.042 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.402 ' HA ' ' O ' ' A' ' 95' ' ' GLY . . . -141.34 150.95 43.14 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.218 177.118 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 90.2 mmt-85 -135.53 150.48 49.76 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.202 -174.836 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 30.4 tt0 -92.16 129.97 37.99 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.225 -179.799 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . 0.457 ' HB2' ' HB ' ' A' ' 93' ' ' VAL . 91.1 m-85 -122.9 120.56 33.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.198 -179.796 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 87.4 t -91.91 121.95 42.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.183 -176.547 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 95.3 mt -127.96 163.37 24.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.221 173.308 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 85.6 mmm 62.39 30.03 17.29 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.222 176.122 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 96.4 m-20 64.97 33.97 9.36 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.202 176.79 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 95.96 -3.15 64.54 Favored Glycine 0 CA--C 1.524 0.603 0 N-CA-C 111.202 -0.759 . . . . 0.0 111.202 175.476 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -79.61 -24.99 41.58 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.783 0.325 . . . . 0.0 111.204 -178.564 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 66.2 tp -116.08 120.07 37.89 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.177 176.625 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -98.65 103.2 15.13 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.224 178.119 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . 0.457 ' HB ' ' HB2' ' A' ' 84' ' ' TYR . 81.7 t -97.66 138.47 22.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.164 -177.314 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 86.4 mt -118.84 117.16 53.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.193 175.521 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . 0.402 ' O ' ' HA ' ' A' ' 81' ' ' ALA . . . -83.09 120.59 5.2 Favored Glycine 0 CA--C 1.524 0.597 0 N-CA-C 111.196 -0.762 . . . . 0.0 111.196 171.192 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 49.8 t80 -123.77 118.96 28.36 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.821 0.343 . . . . 0.0 111.225 -170.55 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 65.3 t0 -124.69 100.32 6.58 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.192 177.396 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 22.8 t80 -166.42 164.98 17.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.166 179.824 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 82.8 p -70.01 180.0 2.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.161 179.463 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . 0.403 ' HA ' ' HB2' ' A' ' 103' ' ' GLN . 80.7 p -71.86 -5.85 37.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.166 -171.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -59.97 -29.73 68.63 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.158 -179.127 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 66.9 mtt -124.94 -4.91 7.48 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.238 -175.475 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' GLN . . . . . 0.412 ' HB3' ' NH1' ' A' ' 107' ' ' ARG . 78.1 mt-30 -64.43 -44.21 91.91 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.175 172.347 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 75.1 m -69.17 -25.41 64.34 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.21 -176.014 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 96.4 mt -64.13 -48.15 87.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.228 173.425 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 97.8 mt -66.82 -40.18 85.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.17 176.437 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . 0.412 ' NH1' ' HB3' ' A' ' 103' ' ' GLN . 86.9 mtm-85 -60.08 -42.57 94.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.14 177.055 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -64.77 -34.85 79.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.238 179.067 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 109' ' ' TYR . . . . . . . . . . . . . 13.9 m-30 -75.91 -35.6 59.73 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.134 178.397 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 59.7 p -70.12 169.75 12.9 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.249 -173.717 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 46.5 m-20 -110.41 -40.61 4.59 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.213 -177.765 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 88.3 mt -124.85 147.82 48.57 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.205 177.332 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 96.9 t -122.46 125.43 72.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.204 173.514 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 87.2 mt -115.96 132.3 65.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.164 176.439 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 13.2 t -157.16 -171.46 3.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.235 175.586 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 59.0 t-80 -103.43 160.7 14.48 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.16 177.107 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -50.8 137.38 20.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.263 172.497 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 161.25 167.4 21.66 Favored Glycine 0 CA--C 1.523 0.59 0 N-CA-C 111.169 -0.772 . . . . 0.0 111.169 -175.144 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 40.5 p -73.63 -69.95 0.4 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.898 0.38 . . . . 0.0 111.2 -173.077 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -57.18 -36.94 77.54 Favored Glycine 0 CA--C 1.523 0.584 0 N-CA-C 111.198 -0.761 . . . . 0.0 111.198 179.637 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 39.3 t -58.22 -57.24 13.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.782 0.325 . . . . 0.0 111.21 -178.892 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 122' ' ' ILE . . . . . . . . . . . . . 93.9 mt -62.28 -38.39 80.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.188 -178.702 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 81.2 mt -61.86 -40.42 95.28 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.237 -175.21 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 87.1 m-20 -62.31 -49.96 73.56 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.189 -165.789 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 21.5 t -69.0 -41.94 77.13 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.212 -176.746 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 94.0 mt -75.32 -17.46 60.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.247 -177.441 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 44.9 ttm105 -59.49 -39.05 82.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.13 172.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 87.1 mt -103.58 4.89 36.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.255 178.567 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 92.8 m-20 64.98 34.49 8.88 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.156 177.474 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 33.3 mmtp -92.95 147.05 33.17 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.203 177.141 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_exo -53.5 126.69 22.57 Favored 'Trans proline' 0 N--CA 1.458 -0.588 0 C-N-CA 121.742 1.628 . . . . 0.0 111.188 178.779 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 53.6 tp -118.54 130.85 56.14 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.118 -175.628 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 5.4 mp -109.93 117.03 53.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.103 -0.498 . . . . 0.0 111.224 172.07 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 95.0 t -108.77 114.96 48.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.219 -173.679 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 135' ' ' CYS . . . . . . . . . . . . . 93.0 m -78.27 131.27 37.02 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.239 170.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 82.4 t -118.53 106.01 18.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.241 -178.023 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 48.7 p30 -84.88 -171.81 3.84 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.174 176.47 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 58.1 p-10 -90.87 10.06 27.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.221 -171.902 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 57.5 m -88.39 -27.64 21.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.244 177.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 50.1 tp -71.74 129.37 38.49 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.223 177.243 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 141' ' ' MET . . . . . . . . . . . . . 59.0 ttm -58.32 136.92 57.48 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.254 -177.446 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 98.8 m-20 -55.52 -37.52 68.02 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.194 -179.126 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 99.6 m-20 -62.59 -35.57 79.95 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.206 176.128 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 144' ' ' HIS . . . . . . . . . . . . . 66.0 m170 -71.28 -37.69 71.86 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.197 176.428 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 145' ' ' GLN . . . . . . . . . . . . . 80.8 mt-30 -60.46 -34.73 74.43 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.249 -179.616 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 146' ' ' GLN . . . . . . . . . . . . . 88.8 mt-30 -71.64 -24.53 61.88 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.257 178.753 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 147' ' ' GLN . . . . . . . . . . . . . 99.8 mm-40 -100.52 -11.61 19.98 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.21 -179.152 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 148' ' ' ILE . . . . . . . . . . . . . 97.9 mt -113.87 -69.86 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.201 -178.43 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -64.99 -45.28 86.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.182 -173.326 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 96.5 m-20 -71.91 -36.33 69.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.217 -176.293 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 151' ' ' LYS . . . . . . . . . . . . . 47.4 mmtm -79.73 -38.13 34.0 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.188 -174.597 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 152' ' ' PHE . . . . . 0.424 ' HB3' ' HB ' ' A' ' 158' ' ' VAL . 8.1 m-30 -55.05 -47.07 75.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.202 179.55 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 153' ' ' VAL . . . . . . . . . . . . . 70.1 t -76.71 -45.39 32.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.153 -179.192 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 89.1 tt0 -54.61 -40.15 68.61 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.216 178.724 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 155' ' ' LEU . . . . . . . . . . . . . 96.0 mt -84.86 -25.15 28.21 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.25 -177.3 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . 84.99 40.78 7.88 Favored Glycine 0 CA--C 1.523 0.554 0 N-CA-C 111.222 -0.751 . . . . 0.0 111.222 169.942 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 157' ' ' TYR . . . . . . . . . . . . . 69.2 m-85 -119.21 -30.07 5.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.807 0.337 . . . . 0.0 111.205 178.677 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 158' ' ' VAL . . . . . 0.424 ' HB ' ' HB3' ' A' ' 152' ' ' PHE . 77.5 t -141.04 141.31 31.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.224 179.036 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 159' ' ' TRP . . . . . . . . . . . . . 72.6 t-105 -101.56 120.0 39.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.186 179.22 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 160' ' ' SER . . . . . . . . . . . . . 92.0 p -89.42 152.91 21.23 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.193 176.671 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 161' ' ' CYS . . . . . . . . . . . . . 28.7 p -155.01 175.01 14.36 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.19 177.831 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -80.61 145.49 58.72 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.251 175.602 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 163' ' ' PRO . . . . . . . . . . . . . 85.3 Cg_endo -79.49 63.97 8.79 Favored 'Trans proline' 0 N--CA 1.458 -0.599 0 C-N-CA 121.682 1.588 . . . . 0.0 111.216 -179.265 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 164' ' ' THR . . . . . . . . . . . . . 25.0 p -134.39 174.42 10.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.109 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 165' ' ' GLU . . . . . . . . . . . . . 24.5 pm0 -70.55 -10.89 60.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.199 177.02 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 166' ' ' THR . . . . . . . . . . . . . 82.5 p -103.55 -30.14 10.7 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.24 179.501 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 167' ' ' GLY . . . . . . . . . . . . . . . -75.13 -31.39 57.61 Favored Glycine 0 CA--C 1.523 0.555 0 N-CA-C 111.157 -0.777 . . . . 0.0 111.157 175.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 168' ' ' LEU . . . . . . . . . . . . . 76.3 mt -66.1 -42.79 88.77 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.843 0.354 . . . . 0.0 111.19 174.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 93.1 mt -69.99 -43.27 79.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.169 177.388 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 170' ' ' ALA . . . . . . . . . . . . . . . -61.96 -44.36 96.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.269 -179.909 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 171' ' ' GLY . . . . . . . . . . . . . . . -68.72 -39.67 85.91 Favored Glycine 0 CA--C 1.523 0.547 0 N-CA-C 111.194 -0.762 . . . . 0.0 111.194 178.433 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 65.4 tp -56.11 -48.21 76.62 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.803 0.335 . . . . 0.0 111.24 175.868 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 173' ' ' ARG . . . . . . . . . . . . . 38.7 ttm180 -65.51 -44.36 87.21 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.232 177.22 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -61.24 -38.97 88.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.175 -174.521 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 88.0 p -69.9 -22.01 63.26 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.254 -179.001 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 176' ' ' GLN . . . . . . . . . . . . . 50.1 tt0 -85.13 -36.34 21.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.174 177.355 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 177' ' ' THR . . . . . . . . . . . . . 81.3 p -87.53 -19.86 27.3 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.18 -177.471 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 178' ' ' GLU . . . . . . . . . . . . . 93.5 mt-10 -125.0 94.83 4.29 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.233 178.717 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 179' ' ' LYS . . . . . . . . . . . . . 88.6 tttt -57.73 123.61 16.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.213 179.519 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 180' ' ' LEU . . . . . . . . . . . . . 95.7 mt -88.46 145.06 25.98 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.246 179.217 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 181' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -84.26 156.8 62.89 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.206 -176.707 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 182' ' ' PRO . . . . . . . . . . . . . 59.6 Cg_endo -68.52 154.61 71.33 Favored 'Trans proline' 0 N--CA 1.459 -0.54 0 C-N-CA 121.683 1.589 . . . . 0.0 111.168 175.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 183' ' ' PHE . . . . . . . . . . . . . 17.9 t80 -71.02 134.43 85.52 Favored Pre-proline 0 C--N 1.328 -0.361 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.263 -173.901 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 184' ' ' PRO . . . . . . . . . . . . . 84.6 Cg_exo -56.13 -41.45 76.62 Favored 'Trans proline' 0 N--CA 1.458 -0.608 0 C-N-CA 121.694 1.596 . . . . 0.0 111.218 -174.738 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 185' ' ' VAL . . . . . . . . . . . . . 90.5 t -86.79 122.41 38.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.17 -168.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 186' ' ' SER . . . . . . . . . . . . . 96.2 p -101.21 -8.3 22.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.239 176.35 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 187' ' ' HIS . . . . . . . . . . . . . 96.2 m-70 -78.14 140.66 39.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.122 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 188' ' ' ASN . . . . . 0.488 ' N ' ' HD2' ' A' ' 189' ' ' PRO . 98.1 m-20 -69.85 -49.89 18.9 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.137 -171.332 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 189' ' ' PRO . . . . . 0.488 ' HD2' ' N ' ' A' ' 188' ' ' ASN . 72.3 Cg_endo -78.26 -27.91 5.08 Favored 'Trans proline' 0 N--CA 1.458 -0.594 0 C-N-CA 121.695 1.596 . . . . 0.0 111.271 -173.741 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 190' ' ' SER . . . . . . . . . . . . . 70.4 m -80.0 -31.39 39.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.204 177.255 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 191' ' ' PHE . . . . . . . . . . . . . 91.6 t80 -57.72 -51.03 71.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.225 175.697 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 192' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -68.12 -51.04 50.69 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.266 177.92 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 193' ' ' ARG . . . . . . . . . . . . . 79.1 ttt180 -44.03 -48.13 8.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.147 178.885 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 194' ' ' LEU . . . . . 0.474 ' O ' HD23 ' A' ' 194' ' ' LEU . 5.1 tt -62.61 -47.37 84.05 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.128 -178.852 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 195' ' ' LEU . . . . . . . . . . . . . 94.1 mt -95.19 7.72 45.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.145 -169.661 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 196' ' ' VAL . . . . . . . . . . . . . 76.7 t -121.52 -39.09 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.19 177.828 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 197' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -113.27 -48.03 2.98 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.231 -173.408 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 198' ' ' THR . . . . . . . . . . . . . 95.1 m -64.38 -50.09 69.05 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.278 -171.004 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 199' ' ' ILE . . . . . . . . . . . . . 47.2 pt -78.04 -11.83 13.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.187 -178.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 200' ' ' TYR . . . . . . . . . . . . . 57.3 m-85 -107.15 15.44 25.16 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.236 178.081 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 201' ' ' SER . . . . . . . . . . . . . 43.3 t . . . . . 0 C--O 1.2 -1.519 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.25 176.643 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.618 0 N-CA-C 111.178 -0.769 . . . . 0.0 111.178 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 97.0 mt -70.64 -46.83 67.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-O 120.785 0.326 . . . . 0.0 111.231 -179.77 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 43.7 pt -115.05 19.93 6.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.261 178.377 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -125.44 153.84 42.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.194 -175.294 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -73.45 129.85 38.87 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.135 178.405 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 90.3 mttt -93.95 145.5 24.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.166 -176.184 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.403 ' HB3' ' HA ' ' A' ' 110' ' ' SER . . . -112.55 127.38 56.06 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.235 178.286 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 22.9 tp -103.4 136.82 42.45 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.184 179.391 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 2.0 t80 -111.87 109.61 19.5 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.237 -179.714 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 87.6 t -106.56 114.99 47.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.174 178.31 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 78.5 p -87.37 134.31 33.59 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.225 179.193 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 20.0 t -144.72 70.27 1.28 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.253 173.006 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -78.34 -175.52 45.37 Favored Glycine 0 CA--C 1.523 0.594 0 N-CA-C 111.147 -0.781 . . . . 0.0 111.147 -179.827 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -57.89 -36.68 72.75 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.817 0.342 . . . . 0.0 111.203 -175.082 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 82.7 p -91.41 5.17 50.41 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.188 -172.712 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 96.0 t -97.68 108.39 45.3 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.19 179.396 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 94.7 Cg_endo -75.31 -109.64 0.01 OUTLIER 'Trans proline' 0 N--CA 1.458 -0.609 0 C-N-CA 121.691 1.594 . . . . 0.0 111.217 175.207 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 95.4 m-85 53.41 57.98 13.73 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.21 176.37 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 38.7 Cg_endo -64.49 -18.93 64.59 Favored 'Trans proline' 0 N--CA 1.459 -0.551 0 C-N-CA 121.716 1.61 . . . . 0.0 111.168 178.447 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 74.0 mmtt -78.37 -33.11 49.13 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.231 177.315 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 70.7 mt -78.57 -26.47 45.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.219 177.32 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 55.7 t -61.28 -38.79 80.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.22 171.493 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 99.2 p -82.26 -27.55 32.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.162 178.047 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 41.8 t -66.11 -46.34 77.95 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.178 -176.497 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 16.3 m -62.54 -19.83 23.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.179 -170.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 91.5 mt -119.53 35.55 4.8 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.246 176.11 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 57.6 p -96.34 163.0 13.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.251 172.338 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 97.5 m-20 -70.02 -39.74 75.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.213 178.732 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -70.23 -42.61 72.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.228 -178.154 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 70.6 t80 -60.74 -54.73 41.64 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.157 179.022 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 96.7 m -64.94 -35.21 80.43 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.247 -174.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 65.8 tt0 -59.6 -58.33 9.05 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.173 179.597 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 90.6 mt-10 -75.04 -26.73 59.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.192 -176.017 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 46.5 tp -53.02 -50.73 63.66 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.267 172.654 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 91.5 mt -60.87 -38.25 78.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.172 176.086 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 88.8 mt-30 -67.74 -20.0 65.2 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.234 178.926 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 22.6 m-30 -84.46 -5.98 59.34 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.191 176.302 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 103.01 0.64 48.35 Favored Glycine 0 CA--C 1.523 0.567 0 N-CA-C 111.224 -0.751 . . . . 0.0 111.224 179.034 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 89.5 m-85 -100.11 99.85 10.63 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.773 0.321 . . . . 0.0 111.212 -175.167 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 31.6 m -103.88 -8.93 9.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.164 172.554 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 83.9 mtt180 -105.28 113.3 26.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.168 172.281 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.433 ' HB3' HG22 ' A' ' 93' ' ' VAL . 58.5 tp -113.5 110.23 19.93 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.237 -179.222 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 93.3 mt -98.52 122.71 50.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.168 177.295 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 65.1 mt -123.21 115.79 46.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.235 178.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 51.4 tt0 -105.23 119.64 39.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.148 -178.1 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 38.9 p90 -151.1 167.32 28.08 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.205 -169.864 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -104.36 -170.75 24.86 Favored Glycine 0 CA--C 1.524 0.629 0 N-CA-C 111.223 -0.751 . . . . 0.0 111.223 -176.1 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -72.87 -30.05 63.67 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.747 0.308 . . . . 0.0 111.198 -175.613 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 99.2 m-20 -66.75 -27.7 67.81 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.228 179.716 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 93.7 m-85 -98.55 -22.01 16.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.277 -176.235 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 75.4 p -62.8 -18.98 63.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.208 174.737 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 96.0 p -64.94 -16.04 62.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.248 177.177 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 74.1 mm-40 -103.0 -45.08 5.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.155 179.021 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 59.9 m-85 -61.38 -28.6 69.36 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.238 -170.337 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 -70.02 -24.18 63.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.215 -178.085 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 99.6 m-70 -111.88 -13.94 13.59 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.205 -172.782 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 57.3 mt -65.2 -35.21 80.34 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.189 177.547 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 33.5 m -77.0 -25.23 15.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.2 176.677 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 89.4 mt-30 -72.94 -24.9 60.87 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.108 175.715 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -90.62 8.44 34.2 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.218 176.777 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 90.6 mmt-85 -129.38 -1.17 5.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.206 177.133 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 75.01 26.24 67.15 Favored Glycine 0 CA--C 1.523 0.535 0 N-CA-C 111.191 -0.764 . . . . 0.0 111.191 174.745 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -98.33 -175.71 32.93 Favored Glycine 0 CA--C 1.523 0.589 0 N-CA-C 111.224 -0.75 . . . . 0.0 111.224 -179.178 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 93.7 mm-40 -122.04 174.19 7.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.799 0.333 . . . . 0.0 111.219 -179.837 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 41.1 ptt85 -166.34 153.47 9.56 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.242 175.491 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 89.1 tt0 -162.08 140.01 8.81 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.208 -178.895 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 37.5 t -57.17 116.92 3.55 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.204 176.915 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 63.3 tp60 -131.19 116.03 17.14 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.171 -176.434 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 88.6 tttt -64.94 125.1 23.83 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.163 172.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 51.1 mm -91.18 128.3 47.95 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.193 -179.386 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 77.3 Cg_exo -53.61 143.55 56.44 Favored 'Trans proline' 0 N--CA 1.457 -0.632 0 C-N-CA 121.704 1.603 . . . . 0.0 111.231 179.487 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 91.3 mt -57.19 -35.84 49.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.243 -177.013 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 98.9 m-20 -52.46 -39.39 61.06 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.221 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 64.8 mt-30 -86.45 -42.57 13.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.196 178.425 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 85.6 t80 -156.37 118.12 3.91 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.273 179.55 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -65.4 144.71 47.84 Favored Glycine 0 CA--C 1.523 0.553 0 N-CA-C 111.226 -0.749 . . . . 0.0 111.226 179.635 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 34.5 t 44.92 62.06 2.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.83 0.348 . . . . 0.0 111.284 -174.626 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -103.2 34.69 5.56 Favored Glycine 0 CA--C 1.523 0.562 0 N-CA-C 111.196 -0.762 . . . . 0.0 111.196 -179.296 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 57.2 p-10 -90.79 8.11 36.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.745 0.307 . . . . 0.0 111.185 -177.818 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 77.5 p -114.96 5.42 15.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.226 173.553 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -81.05 166.0 21.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.186 -177.083 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 32.6 ttm180 -140.06 130.81 25.85 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.201 177.182 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 62.4 tt0 -82.17 132.04 35.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.219 178.746 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . 0.519 ' HB2' ' HB ' ' A' ' 93' ' ' VAL . 88.4 m-85 -115.5 139.99 49.56 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.195 174.325 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 61.6 t -109.99 99.6 9.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.244 -172.531 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.438 HD13 ' HA ' ' A' ' 86' ' ' LEU . 2.5 mm? -117.07 159.25 22.84 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.18 -176.787 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 94.0 mmm 60.25 30.77 20.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.21 -179.25 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 96.4 m-20 65.05 31.22 11.29 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.234 -179.867 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 95.04 -3.35 66.89 Favored Glycine 0 CA--C 1.523 0.575 0 N-CA-C 111.21 -0.756 . . . . 0.0 111.21 176.182 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -75.34 -24.99 57.42 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.876 0.369 . . . . 0.0 111.222 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 52.4 tp -112.48 123.97 51.46 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.23 177.146 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -95.89 100.31 12.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.204 179.884 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . 0.519 ' HB ' ' HB2' ' A' ' 84' ' ' TYR . 60.8 t -104.9 113.42 41.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.242 -175.696 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 44.4 mm -110.0 124.18 66.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.236 -177.277 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -100.01 140.06 14.74 Favored Glycine 0 CA--C 1.523 0.557 0 N-CA-C 111.239 -0.744 . . . . 0.0 111.239 178.133 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 96.4 m-85 -123.46 149.87 44.56 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.853 0.359 . . . . 0.0 111.231 179.63 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 68.1 t0 -72.97 116.04 13.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.179 172.16 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 73.6 t80 -47.92 121.43 4.17 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.161 -171.503 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 52.4 m -142.01 120.5 12.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.173 178.101 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 94.7 m -65.58 -36.57 84.14 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.234 -173.726 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -74.87 -15.91 60.7 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.145 -175.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 66.6 mtt -106.06 7.5 31.86 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.16 -174.887 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 77.7 mt-30 -64.63 -44.49 90.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.154 179.495 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 66.8 m -64.72 -29.75 70.74 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.23 -176.73 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 96.9 mt -59.98 -48.43 87.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.169 175.86 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 96.7 mt -70.24 -41.56 78.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.183 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 89.1 mtm-85 -59.46 -43.61 93.16 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.16 -178.591 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 95.9 m-20 -63.19 -41.47 99.2 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.185 178.523 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 109' ' ' TYR . . . . . . . . . . . . . 72.8 t80 -71.29 -33.74 70.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.166 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . 0.403 ' HA ' ' HB3' ' A' ' 7' ' ' ALA . 78.9 p -73.68 172.45 11.41 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.158 -171.592 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 54.9 m-20 -113.98 -34.6 5.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.198 173.862 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 56.5 tp -132.68 119.96 21.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.148 179.42 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 88.5 t -100.86 133.29 44.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.306 -176.205 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 114' ' ' ILE . . . . . 0.426 HD13 HD11 ' A' ' 168' ' ' LEU . 64.0 mt -113.46 113.67 44.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.174 178.456 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 47.2 t -100.39 154.22 18.69 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.194 176.58 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 80.4 m80 -125.88 113.38 17.14 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.194 -173.112 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . 50.38 47.63 23.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.213 174.294 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 164.63 -166.55 38.01 Favored Glycine 0 CA--C 1.524 0.633 0 N-CA-C 111.21 -0.756 . . . . 0.0 111.21 179.198 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 40.6 p -115.39 -108.08 0.37 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.745 0.307 . . . . 0.0 111.215 176.643 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 60.64 16.22 44.05 Favored Glycine 0 CA--C 1.523 0.54 0 N-CA-C 111.201 -0.76 . . . . 0.0 111.201 -178.373 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 20.0 m -141.05 -29.82 0.64 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.736 0.303 . . . . 0.0 111.162 -169.082 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 122' ' ' ILE . . . . . . . . . . . . . 41.4 pt -75.26 -16.02 15.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.282 -172.194 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 97.8 mt -66.37 -35.35 80.12 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.22 -174.654 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 70.8 m-20 -96.48 -32.77 12.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.227 178.594 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 33.5 t -60.84 -50.52 73.09 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.148 -179.777 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 89.9 mt -65.46 -44.41 87.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.186 -173.936 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 51.2 ptt85 -69.08 -21.86 64.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.24 -174.289 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 94.5 mt -102.4 6.85 40.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.192 -176.757 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 77.3 m-20 64.53 35.81 9.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.216 177.846 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 89.7 mttt -106.07 141.48 22.82 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.2 -178.178 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 58.5 Cg_endo -68.14 152.78 76.0 Favored 'Trans proline' 0 N--CA 1.458 -0.606 0 C-N-CA 121.695 1.597 . . . . 0.0 111.215 175.497 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 132' ' ' LEU . . . . . 0.446 ' O ' ' HA ' ' A' ' 158' ' ' VAL . 5.2 tt -140.35 129.75 23.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.173 179.578 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 96.6 mt -95.93 141.69 14.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.24 174.782 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 97.7 t -118.94 119.99 62.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.143 174.464 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 135' ' ' CYS . . . . . . . . . . . . . 89.6 m -89.82 134.07 34.39 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.102 174.506 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 136' ' ' VAL . . . . . 0.453 HG11 ' HG2' ' A' ' 145' ' ' GLN . 66.0 t -105.55 134.93 45.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.142 -175.25 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 47.7 p30 -81.17 -175.0 5.2 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.203 -172.825 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 56.4 p-10 -102.4 18.62 20.64 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.258 -176.492 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 67.1 m -107.61 -34.97 6.85 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.236 -179.746 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 40.4 tp -61.13 134.82 57.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.199 174.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 141' ' ' MET . . . . . . . . . . . . . 59.8 ttm -55.82 136.41 51.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.204 179.851 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 98.9 m-20 -52.97 -39.69 63.16 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.151 -176.185 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 99.2 m-20 -65.05 -35.53 81.45 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.145 176.935 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 144' ' ' HIS . . . . . . . . . . . . . 66.6 m170 -74.63 -27.42 60.44 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.144 179.568 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 145' ' ' GLN . . . . . 0.453 ' HG2' HG11 ' A' ' 136' ' ' VAL . 82.2 mt-30 -64.54 -43.17 94.81 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.166 177.521 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 146' ' ' GLN . . . . . . . . . . . . . 73.2 tp60 -70.27 -34.26 72.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.188 174.802 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 147' ' ' GLN . . . . . . . . . . . . . 72.1 tp60 -60.41 -43.82 96.35 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.232 -179.465 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 148' ' ' ILE . . . . . . . . . . . . . 42.4 pt -80.06 -24.2 11.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.173 -179.788 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -68.91 -35.54 76.95 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.196 175.291 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 97.2 m-20 -66.07 -32.25 73.6 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.197 177.404 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 151' ' ' LYS . . . . . 0.417 ' HD3' ' HA ' ' A' ' 151' ' ' LYS . 69.0 mmtt -81.1 -30.32 34.67 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.25 179.657 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 152' ' ' PHE . . . . . . . . . . . . . 19.0 m-30 -63.24 -42.33 99.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.247 171.736 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 153' ' ' VAL . . . . . . . . . . . . . 62.5 t -69.5 -40.54 79.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.15 176.329 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 40.8 tt0 -52.9 -43.54 66.27 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.234 176.429 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 155' ' ' LEU . . . . . . . . . . . . . 56.7 tp -65.97 -52.17 51.99 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.19 174.018 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . 96.32 -5.15 65.1 Favored Glycine 0 CA--C 1.523 0.577 0 N-CA-C 111.143 -0.783 . . . . 0.0 111.143 174.53 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 157' ' ' TYR . . . . . . . . . . . . . 42.1 m-85 -112.12 -1.68 15.22 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.876 0.37 . . . . 0.0 111.235 -178.081 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 158' ' ' VAL . . . . . 0.446 ' HA ' ' O ' ' A' ' 132' ' ' LEU . 73.4 t -130.57 140.97 47.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.158 -179.661 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 159' ' ' TRP . . . . . . . . . . . . . 15.9 m-90 -129.36 140.39 51.39 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.256 -179.614 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 160' ' ' SER . . . . . . . . . . . . . 30.2 t -87.95 131.33 34.65 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.18 179.806 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 161' ' ' CYS . . . . . 0.405 ' SG ' ' HA3' ' A' ' 171' ' ' GLY . 91.1 m -115.49 145.09 42.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.225 173.372 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -78.97 156.16 77.19 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.131 175.662 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 163' ' ' PRO . . . . . . . . . . . . . 88.4 Cg_endo -78.91 61.3 8.07 Favored 'Trans proline' 0 N--CA 1.459 -0.559 0 C-N-CA 121.685 1.59 . . . . 0.0 111.223 -179.584 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 164' ' ' THR . . . . . . . . . . . . . 12.8 p -133.29 -179.87 5.78 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.223 179.841 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 165' ' ' GLU . . . . . . . . . . . . . 99.8 mt-10 -81.24 4.93 18.63 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.215 176.912 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 166' ' ' THR . . . . . . . . . . . . . 82.7 p -127.8 -24.57 3.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.173 -174.724 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 167' ' ' GLY . . . . . . . . . . . . . . . -58.68 -45.8 94.25 Favored Glycine 0 CA--C 1.523 0.581 0 N-CA-C 111.175 -0.77 . . . . 0.0 111.175 -174.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 168' ' ' LEU . . . . . 0.426 HD11 HD13 ' A' ' 114' ' ' ILE . 39.4 tp -68.48 -36.66 79.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.772 0.32 . . . . 0.0 111.109 -176.601 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 97.1 mt -59.42 -43.11 89.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.208 179.217 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 170' ' ' ALA . . . . . . . . . . . . . . . -64.93 -37.99 89.49 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.145 176.784 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 171' ' ' GLY . . . . . 0.405 ' HA3' ' SG ' ' A' ' 161' ' ' CYS . . . -64.97 -38.84 95.97 Favored Glycine 0 CA--C 1.523 0.571 0 N-CA-C 111.229 -0.748 . . . . 0.0 111.229 177.603 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 82.5 mt -64.18 -40.56 96.36 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.841 0.353 . . . . 0.0 111.227 178.004 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 173' ' ' ARG . . . . . . . . . . . . . 29.6 ttm180 -65.02 -41.11 95.6 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.179 175.241 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -64.98 -37.92 89.26 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.241 -177.607 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 59.5 p -65.05 -27.17 68.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.216 -177.495 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 176' ' ' GLN . . . . . . . . . . . . . 90.9 mm-40 -98.67 -26.25 14.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.213 -177.04 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 177' ' ' THR . . . . . . . . . . . . . 90.1 m -72.58 -39.96 66.99 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.194 178.42 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 178' ' ' GLU . . . . . . . . . . . . . 71.1 tt0 -85.55 109.16 18.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.188 -175.26 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 179' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -62.65 130.34 44.55 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.19 177.686 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 180' ' ' LEU . . . . . . . . . . . . . 58.4 mt -108.65 155.2 20.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.13 -175.635 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 181' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -113.19 156.63 42.72 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.233 170.415 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 182' ' ' PRO . . . . . . . . . . . . . 76.3 Cg_exo -52.48 134.87 53.77 Favored 'Trans proline' 0 N--CA 1.458 -0.602 0 C-N-CA 121.63 1.553 . . . . 0.0 111.207 178.705 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 183' ' ' PHE . . . . . 0.68 ' HD1' ' N ' ' A' ' 183' ' ' PHE . 0.5 OUTLIER -70.09 124.92 91.65 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.157 -173.612 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 184' ' ' PRO . . . . . . . . . . . . . 73.8 Cg_exo -49.97 119.7 5.17 Favored 'Trans proline' 0 N--CA 1.458 -0.592 0 C-N-CA 121.733 1.622 . . . . 0.0 111.168 175.4 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 185' ' ' VAL . . . . . . . . . . . . . 74.9 t -66.2 -37.63 80.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.164 -174.466 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 186' ' ' SER . . . . . . . . . . . . . 96.2 p -68.65 -15.77 63.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.188 -178.514 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 187' ' ' HIS . . . . . . . . . . . . . 96.1 m-70 -115.95 26.36 10.04 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.239 -178.766 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 188' ' ' ASN . . . . . 0.451 ' N ' ' HD2' ' A' ' 189' ' ' PRO . 95.4 m-20 -61.59 -50.97 80.06 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.181 170.645 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 189' ' ' PRO . . . . . 0.451 ' HD2' ' N ' ' A' ' 188' ' ' ASN . 93.7 Cg_endo -76.26 -20.3 14.56 Favored 'Trans proline' 0 N--CA 1.457 -0.639 0 C-N-CA 121.656 1.571 . . . . 0.0 111.238 179.51 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 190' ' ' SER . . . . . . . . . . . . . 71.9 m -68.12 -41.93 80.99 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.159 172.313 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 191' ' ' PHE . . . . . . . . . . . . . 16.6 m-30 -67.79 -37.86 82.6 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.178 176.777 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 192' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -63.07 -49.33 74.93 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.191 177.843 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 193' ' ' ARG . . . . . . . . . . . . . 80.4 ttt180 -60.98 -41.91 97.37 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.242 178.07 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 194' ' ' LEU . . . . . . . . . . . . . 62.7 tp -56.23 -54.9 39.81 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.205 177.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 195' ' ' LEU . . . . . . . . . . . . . 90.9 mt -72.13 -30.56 65.17 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.196 -170.165 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 196' ' ' VAL . . . . . . . . . . . . . 52.7 t -69.91 -49.66 54.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.198 176.168 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 197' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -66.22 -30.4 70.84 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.211 179.411 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 198' ' ' THR . . . . . . . . . . . . . 59.0 m -78.57 -53.58 7.05 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.181 -179.147 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 199' ' ' ILE . . . . . . . . . . . . . 84.6 mt -66.43 -37.24 79.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.179 -176.325 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 200' ' ' TYR . . . . . . . . . . . . . 85.7 m-85 -101.46 26.89 6.76 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.25 179.428 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 201' ' ' SER . . . . . . . . . . . . . 42.2 t . . . . . 0 C--O 1.199 -1.558 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.227 178.558 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.584 0 N-CA-C 111.179 -0.768 . . . . 0.0 111.179 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 97.0 mt -70.08 -47.09 70.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-O 120.78 0.324 . . . . 0.0 111.179 179.483 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 45.4 pt -115.05 13.39 8.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.221 176.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 73.6 mm-40 -119.96 175.24 6.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.175 -178.049 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -86.01 126.42 34.14 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.242 179.708 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.411 ' HB2' ' HA ' ' A' ' 39' ' ' PHE . 96.3 mttt -87.49 151.44 23.02 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.216 173.221 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -107.86 130.73 54.98 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.167 -175.099 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 21.5 tp -113.64 109.58 18.83 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.243 176.341 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 60.5 t80 -94.34 117.25 29.83 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.216 -176.732 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 59.5 t -115.04 118.36 58.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.186 -179.771 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 52.1 m -99.14 115.03 28.11 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.215 175.784 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 74.0 m -87.45 129.56 35.01 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.227 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -113.8 -167.05 16.22 Favored Glycine 0 CA--C 1.523 0.591 0 N-CA-C 111.218 -0.753 . . . . 0.0 111.218 -177.495 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -78.83 -22.45 46.14 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.779 0.323 . . . . 0.0 111.174 179.036 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 8.9 t -85.05 175.01 9.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.184 179.019 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 64.9 t 52.64 114.97 0.01 OUTLIER Pre-proline 0 C--N 1.329 -0.287 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.257 -167.525 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.407 ' O ' ' N ' ' A' ' 21' ' ' LEU . 76.9 Cg_exo -53.15 143.31 52.05 Favored 'Trans proline' 0 N--CA 1.459 -0.535 0 C-N-CA 121.697 1.598 . . . . 0.0 111.148 -177.672 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . 0.535 ' N ' ' HD2' ' A' ' 19' ' ' PRO . 10.5 m-30 -55.05 -48.52 95.86 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.228 -171.779 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.535 ' HD2' ' N ' ' A' ' 18' ' ' PHE . 72.9 Cg_endo -74.34 -13.55 23.0 Favored 'Trans proline' 0 N--CA 1.459 -0.501 0 C-N-CA 121.685 1.59 . . . . 0.0 111.118 -177.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -102.87 0.3 32.31 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.239 172.142 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.463 ' C ' HD23 ' A' ' 21' ' ' LEU . 7.1 tt -95.16 -50.01 5.25 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.152 178.924 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 76.4 t -80.25 -34.33 14.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.194 -174.077 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 93.3 p -65.06 -19.76 66.15 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.279 -175.242 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 99.4 m -65.12 -42.65 93.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.208 179.35 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 33.0 m -95.67 -15.06 7.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.239 -174.511 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.467 HD23 ' HB2' ' A' ' 57' ' ' LEU . 2.6 mp -100.04 16.85 22.65 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.192 173.296 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 83.9 p -79.53 165.0 23.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.137 171.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 46.4 m-20 -80.38 -34.25 36.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.184 177.03 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -72.27 -38.6 68.78 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.144 -177.432 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 56.4 t80 -65.02 -51.27 62.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.239 176.447 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 95.5 m -68.13 -29.81 68.8 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.17 -176.42 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 65.2 tt0 -52.57 -58.15 7.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.18 178.558 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 92.8 mt-10 -75.41 -33.11 60.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.18 -179.541 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 31.9 tp -52.69 -49.74 64.71 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.173 178.941 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 43.6 mm -65.94 -39.16 83.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.121 178.83 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 87.3 mt-30 -68.2 -20.87 64.88 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.181 178.662 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 19.4 m-30 -87.63 -8.42 56.23 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.163 177.699 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 98.28 8.85 54.61 Favored Glycine 0 CA--C 1.523 0.582 0 N-CA-C 111.17 -0.772 . . . . 0.0 111.17 172.743 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.411 ' HA ' ' HB2' ' A' ' 6' ' ' LYS . 74.4 m-85 -90.03 123.7 34.14 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.829 0.347 . . . . 0.0 111.172 -177.404 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 78.7 t -125.25 -36.24 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.213 -177.745 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 98.4 mtt180 -90.05 88.35 7.25 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.206 -173.389 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.4 HD23 HG22 ' A' ' 93' ' ' VAL . 54.5 tp -82.31 109.95 17.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.19 178.194 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 73.8 mt -109.15 111.29 35.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.188 -171.502 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 43.8 mm -104.42 114.98 45.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.154 -169.366 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 51.1 tt0 -96.94 126.08 41.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.204 172.017 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . 0.457 ' HB2' ' CD1' ' A' ' 50' ' ' TYR . 53.5 p90 -151.17 169.9 20.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.206 178.889 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -94.09 -59.24 1.18 Allowed Glycine 0 CA--C 1.524 0.642 0 N-CA-C 111.248 -0.741 . . . . 0.0 111.248 177.622 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 51.4 ptt85 -170.65 151.7 3.62 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.834 0.35 . . . . 0.0 111.14 179.451 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 52.2 t30 64.95 38.72 6.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.293 178.725 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . 0.457 ' CD1' ' HB2' ' A' ' 46' ' ' PHE . 93.3 m-85 -120.31 -43.63 2.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.202 171.469 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 91.0 p -66.63 -15.12 63.24 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.198 174.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 94.4 p -67.98 -29.84 68.96 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.283 171.321 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 77.3 mm-40 -79.94 -33.22 39.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.197 177.664 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 44.9 m-85 -61.85 -43.28 99.16 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.191 172.6 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 39.7 tt0 -57.0 -48.47 78.38 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.146 176.625 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 82.0 t60 -57.13 -50.38 72.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.224 -178.475 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.467 ' HB2' HD23 ' A' ' 26' ' ' LEU . 93.7 mt -74.15 -39.11 63.49 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.127 -171.037 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 66.8 t -69.91 -39.85 78.08 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.232 179.679 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 73.1 tp60 -65.04 -36.99 86.12 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.19 172.834 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -63.52 -38.0 89.44 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.208 175.246 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 83.4 mtt-85 -71.01 -30.1 66.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.144 175.36 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 88.46 31.08 14.21 Favored Glycine 0 CA--C 1.523 0.54 0 N-CA-C 111.189 -0.764 . . . . 0.0 111.189 178.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -89.56 -165.07 40.65 Favored Glycine 0 CA--C 1.523 0.545 0 N-CA-C 111.174 -0.77 . . . . 0.0 111.174 179.466 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 97.0 mm-40 -103.89 157.61 16.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.791 0.329 . . . . 0.0 111.207 177.642 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 52.0 ptt85 -166.34 154.96 10.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.125 -173.87 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -154.45 131.05 10.64 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.198 176.159 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 33.3 t -79.51 139.89 37.43 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.149 176.904 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 88.9 mm-40 -117.94 147.88 42.72 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.228 -176.429 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 95.8 mttt -124.34 90.01 3.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.228 168.813 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 79.5 mt -104.57 132.65 20.73 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.153 -163.713 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 74.9 Cg_exo -54.95 130.02 38.45 Favored 'Trans proline' 0 N--CA 1.458 -0.605 0 C-N-CA 121.701 1.601 . . . . 0.0 111.169 179.556 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 97.0 mt -74.12 -39.47 50.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.19 176.067 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 98.3 m-20 -67.04 -26.37 66.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.164 -176.156 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 98.2 mm-40 -98.2 -44.86 6.42 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.166 -174.401 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 90.7 m-85 -115.96 -41.72 3.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.175 -173.894 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 113.05 -13.7 23.99 Favored Glycine 0 CA--C 1.524 0.605 0 N-CA-C 111.195 -0.762 . . . . 0.0 111.195 173.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 86.8 m -75.87 161.44 28.98 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.784 0.326 . . . . 0.0 111.198 177.223 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -100.5 -155.25 27.5 Favored Glycine 0 CA--C 1.522 0.53 0 N-CA-C 111.232 -0.747 . . . . 0.0 111.232 -175.762 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 57.7 p-10 -104.71 5.02 33.1 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.852 0.358 . . . . 0.0 111.207 176.727 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 72.1 p -98.27 -5.64 32.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.153 172.294 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -55.81 133.93 51.43 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.237 175.85 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -139.92 144.98 37.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.252 177.944 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 84.9 mt-30 -113.28 142.82 45.38 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.222 179.391 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . 0.415 ' HB2' ' HB ' ' A' ' 93' ' ' VAL . 53.5 m-85 -137.42 150.08 47.37 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.158 -176.007 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 74.9 t -118.71 115.11 47.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.149 -179.231 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 93.3 mt -126.92 167.62 15.61 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.204 -175.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 98.2 mmm 59.96 30.48 19.98 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.265 178.323 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 96.4 m-20 64.95 33.88 9.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.189 178.142 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 95.9 -3.92 65.25 Favored Glycine 0 CA--C 1.523 0.565 0 N-CA-C 111.245 -0.742 . . . . 0.0 111.245 176.241 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -79.3 -23.76 43.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.814 0.34 . . . . 0.0 111.229 -179.055 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 68.7 tp -115.0 120.05 38.57 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.218 177.064 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 94.1 mttt -106.64 115.1 29.62 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.267 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . 0.415 ' HB ' ' HB2' ' A' ' 84' ' ' TYR . 50.5 t -109.38 120.8 61.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.162 -172.87 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 80.9 mt -128.39 118.69 48.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.177 176.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -101.71 158.9 18.48 Favored Glycine 0 CA--C 1.523 0.59 0 N-CA-C 111.178 -0.769 . . . . 0.0 111.178 176.14 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 48.9 p90 -154.78 158.34 39.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.818 0.342 . . . . 0.0 111.194 176.619 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 67.7 t0 -82.92 121.24 26.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.218 172.097 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 26.8 p90 -50.09 146.76 4.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.131 -174.083 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 59.5 p -155.03 -177.48 6.57 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.227 179.618 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 75.7 p -95.34 4.83 53.01 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.185 172.856 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 76.0 mmtt -105.93 -24.79 12.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.255 -178.882 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 91.5 mmm -80.07 -8.94 59.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.193 178.232 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 99.1 mm-40 -57.62 -36.82 72.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.192 -173.867 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 45.5 t -67.96 -50.04 58.18 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.213 178.649 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 94.6 mt -59.89 -39.72 80.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.23 -179.866 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 94.9 mt -60.3 -47.38 92.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.193 178.455 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -74.58 -30.03 61.55 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.288 -178.142 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -74.0 -35.04 64.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.179 -178.866 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 109' ' ' TYR . . . . . . . . . . . . . 89.2 m-85 -125.08 80.09 1.85 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.148 -176.278 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 41.2 t -155.31 118.25 4.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.207 176.744 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 60.5 m-20 -110.86 -33.56 6.49 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.223 177.342 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 68.3 tp -128.92 132.02 47.62 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.171 171.487 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 96.0 t -113.62 119.5 61.08 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.189 -176.0 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 114' ' ' ILE . . . . . 0.403 HG12 ' HB ' ' A' ' 133' ' ' ILE . 97.2 mt -107.58 130.05 60.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.147 169.729 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 43.0 t -123.4 133.91 54.03 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.217 179.908 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 99.6 m-70 -100.96 81.95 2.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.161 169.771 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . 57.38 50.63 11.08 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.237 -176.243 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -95.5 -178.9 36.78 Favored Glycine 0 CA--C 1.524 0.644 0 N-CA-C 111.224 -0.75 . . . . 0.0 111.224 172.263 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 45.7 m -124.96 -59.44 1.42 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.864 0.364 . . . . 0.0 111.19 176.323 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -64.89 -32.64 84.88 Favored Glycine 0 CA--C 1.524 0.601 0 N-CA-C 111.22 -0.752 . . . . 0.0 111.22 -176.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 75.0 m -66.52 -41.26 89.05 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.903 0.382 . . . . 0.0 111.255 177.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 122' ' ' ILE . . . . . . . . . . . . . 63.8 mt -61.05 -44.97 99.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.163 175.231 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 92.3 mt -70.4 -49.3 50.41 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.224 -174.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 87.3 m-20 -71.95 -31.51 66.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.146 -172.466 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 47.2 t -53.49 -45.3 69.61 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.233 173.321 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 96.2 mt -74.72 -32.14 62.05 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.215 179.794 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 51.4 mtp180 -63.26 -31.33 72.45 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.135 175.459 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 95.7 mt -88.35 -5.0 58.57 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.22 178.808 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 56.5 t30 63.28 41.6 7.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.157 -176.218 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 37.9 mmtm -114.39 146.54 36.07 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.233 179.756 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 61.4 Cg_exo -55.02 141.39 79.17 Favored 'Trans proline' 0 N--CA 1.458 -0.607 0 C-N-CA 121.757 1.638 . . . . 0.0 111.174 179.688 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 63.3 tp -121.32 115.19 22.49 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.15 -174.821 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 133' ' ' ILE . . . . . 0.403 ' HB ' HG12 ' A' ' 114' ' ' ILE . 70.5 mt -107.1 126.83 63.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.2 173.405 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 77.6 t -120.44 121.91 66.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.215 179.552 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 135' ' ' CYS . . . . . . . . . . . . . 53.9 t -121.76 113.97 20.44 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.14 -178.22 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 28.3 m -135.05 158.39 41.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.141 -169.583 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 58.1 t-20 -111.49 117.98 34.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.257 171.853 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 97.5 m-20 -55.49 -35.25 65.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.199 -173.133 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 86.7 p -80.93 -15.77 55.37 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.201 -172.056 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 96.1 mt -99.26 -12.87 19.99 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.223 178.613 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 141' ' ' MET . . . . . . . . . . . . . 74.8 mtm -88.57 154.9 19.96 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.198 172.852 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 43.0 p30 -88.5 -179.66 6.11 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.203 174.798 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 98.8 m-20 -60.1 -32.46 71.0 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.149 -173.446 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 144' ' ' HIS . . . . . . . . . . . . . 17.8 t-160 -69.25 -55.07 11.63 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.163 -177.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 145' ' ' GLN . . . . . . . . . . . . . 97.7 mm-40 -72.88 -26.03 61.3 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.194 -171.409 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 146' ' ' GLN . . . . . . . . . . . . . 73.5 mt-30 -61.61 -51.58 67.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.224 173.134 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 147' ' ' GLN . . . . . . . . . . . . . 88.5 mt-30 -65.0 -35.08 80.04 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.174 -179.521 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 148' ' ' ILE . . . . . . . . . . . . . 88.4 mt -62.68 -49.95 81.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.173 177.321 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -62.89 -38.63 91.67 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.162 -178.103 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 98.9 m-20 -63.06 -49.11 75.83 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.178 179.822 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 151' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -71.99 -31.75 66.56 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.212 -178.758 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 152' ' ' PHE . . . . . . . . . . . . . 1.3 t80 -61.68 -50.34 72.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.232 -178.55 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 153' ' ' VAL . . . . . . . . . . . . . 8.3 p -75.67 -25.07 17.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.173 178.898 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -63.41 -39.41 94.41 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.258 175.659 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 155' ' ' LEU . . . . . . . . . . . . . 97.6 mt -74.07 -19.57 60.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.179 179.788 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . 83.76 34.07 19.89 Favored Glycine 0 CA--C 1.523 0.531 0 N-CA-C 111.237 -0.745 . . . . 0.0 111.237 173.48 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 157' ' ' TYR . . . . . . . . . . . . . 34.3 m-85 -113.05 18.66 17.86 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.859 0.361 . . . . 0.0 111.267 179.419 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 158' ' ' VAL . . . . . . . . . . . . . 11.6 p -162.02 150.52 4.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.199 -178.146 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 159' ' ' TRP . . . . . . . . . . . . . 19.2 m-90 -96.53 111.85 23.81 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.202 168.93 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 160' ' ' SER . . . . . . . . . . . . . 32.1 t -90.84 130.45 36.79 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.17 -177.421 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 161' ' ' CYS . . . . . . . . . . . . . 89.3 m -118.8 151.4 38.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.147 -178.664 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -72.75 154.95 91.16 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.249 175.79 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 163' ' ' PRO . . . . . . . . . . . . . 88.1 Cg_endo -76.33 64.64 7.2 Favored 'Trans proline' 0 N--CA 1.458 -0.588 0 C-N-CA 121.717 1.611 . . . . 0.0 111.186 179.296 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 164' ' ' THR . . . . . . . . . . . . . 12.5 t -159.97 -179.81 8.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.231 -179.307 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 165' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -64.98 -49.96 68.21 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.161 -171.928 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 166' ' ' THR . . . . . . . . . . . . . 81.2 p -80.89 -17.14 51.6 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.118 -172.143 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 167' ' ' GLY . . . . . . . . . . . . . . . -64.93 -49.58 62.23 Favored Glycine 0 CA--C 1.523 0.576 0 N-CA-C 111.216 -0.754 . . . . 0.0 111.216 179.512 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 168' ' ' LEU . . . . . . . . . . . . . 31.4 tp -70.33 -34.4 72.63 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.87 0.367 . . . . 0.0 111.2 179.417 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 96.8 mt -61.25 -42.14 92.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.186 177.647 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 170' ' ' ALA . . . . . . . . . . . . . . . -60.79 -38.87 86.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.211 175.836 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 171' ' ' GLY . . . . . . . . . . . . . . . -64.77 -41.38 97.62 Favored Glycine 0 CA--C 1.523 0.57 0 N-CA-C 111.244 -0.742 . . . . 0.0 111.244 177.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 59.1 tp -54.94 -48.97 72.45 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.882 0.372 . . . . 0.0 111.229 177.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 173' ' ' ARG . . . . . . . . . . . . . 39.9 ttm180 -65.51 -40.85 93.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.203 176.686 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -65.01 -33.18 75.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.205 -173.643 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 53.2 p -64.96 -21.11 66.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.266 -179.723 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 176' ' ' GLN . . . . . . . . . . . . . 93.7 mm-40 -102.82 -33.45 9.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.206 -177.671 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 177' ' ' THR . . . . . . . . . . . . . 99.0 m -74.56 -43.99 53.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.192 -178.333 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 178' ' ' GLU . . . . . . . . . . . . . 73.4 mm-40 -117.04 175.87 5.39 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.169 -173.289 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 179' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -129.79 166.49 19.8 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.16 177.845 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 180' ' ' LEU . . . . . . . . . . . . . 89.7 mt -90.29 161.57 15.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.213 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 181' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -74.73 156.69 86.48 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.224 179.296 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 182' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -68.49 144.9 62.82 Favored 'Trans proline' 0 N--CA 1.459 -0.55 0 C-N-CA 121.628 1.552 . . . . 0.0 111.213 179.081 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 183' ' ' PHE . . . . . . . . . . . . . 87.7 m-85 -93.56 149.85 37.88 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.23 -174.742 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 184' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_endo -72.45 -14.79 27.95 Favored 'Trans proline' 0 N--CA 1.459 -0.533 0 C-N-CA 121.63 1.553 . . . . 0.0 111.117 177.613 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 185' ' ' VAL . . . . . . . . . . . . . 85.2 t -111.25 126.15 68.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.245 -177.503 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 186' ' ' SER . . . . . . . . . . . . . 88.0 p -92.49 -14.24 28.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.213 -178.046 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 187' ' ' HIS . . . . . . . . . . . . . 99.0 m-70 -75.04 86.6 2.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.237 -179.468 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 188' ' ' ASN . . . . . 0.491 ' HB2' ' HD3' ' A' ' 189' ' ' PRO . 99.1 m-20 -57.04 -47.15 99.57 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.227 -168.232 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 189' ' ' PRO . . . . . 0.491 ' HD3' ' HB2' ' A' ' 188' ' ' ASN . 95.3 Cg_endo -85.78 1.45 8.05 Favored 'Trans proline' 0 N--CA 1.457 -0.629 0 C-N-CA 121.739 1.626 . . . . 0.0 111.213 -170.613 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 190' ' ' SER . . . . . . . . . . . . . 67.3 m -111.2 14.2 21.76 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.204 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 191' ' ' PHE . . . . . . . . . . . . . 14.5 m-30 -61.56 -30.23 70.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.151 178.802 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 192' ' ' GLU . . . . . . . . . . . . . 24.2 pt-20 -70.28 -10.0 57.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.211 -176.02 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 193' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -120.02 -20.53 7.43 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.164 178.769 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 194' ' ' LEU . . . . . . . . . . . . . 95.4 mt -103.63 -56.37 2.22 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.236 -174.879 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 195' ' ' LEU . . . . . . . . . . . . . 30.0 mt -79.93 -20.81 44.79 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.218 -176.565 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 196' ' ' VAL . . . . . . . . . . . . . 6.4 p -59.17 -27.0 35.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.218 170.213 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 197' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -98.02 -40.78 8.28 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.238 177.924 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 198' ' ' THR . . . . . . . . . . . . . 89.0 m -70.49 -44.5 67.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.195 -176.716 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 199' ' ' ILE . . . . . . . . . . . . . 97.7 mt -105.05 -59.41 3.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.193 -173.0 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 200' ' ' TYR . . . . . . . . . . . . . 72.6 t80 -63.88 -62.01 1.92 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.219 -168.559 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 201' ' ' SER . . . . . . . . . . . . . 42.8 t . . . . . 0 C--O 1.2 -1.535 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.139 177.614 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.56 0 N-CA-C 111.226 -0.749 . . . . 0.0 111.226 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 46.7 pt -127.52 -6.96 4.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.79 0.329 . . . . 0.0 111.217 174.38 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 49.1 pt -110.2 -8.63 11.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.223 171.047 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -122.13 26.03 8.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.171 173.269 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 7.4 tp10 -166.34 153.97 9.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.206 -176.917 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 46.4 mtmt -56.31 112.04 1.13 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.179 -179.751 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -138.4 149.44 45.53 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.227 179.121 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.401 HD21 HD23 ' A' ' 112' ' ' LEU . 30.9 mt -90.65 141.15 29.08 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.195 177.108 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 75.6 m-85 -129.98 118.02 20.96 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.175 167.124 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.422 HG22 ' HB ' ' A' ' 114' ' ' ILE . 89.7 t -103.11 134.19 44.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.216 -176.88 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 92.7 m -116.58 114.47 24.16 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.207 173.604 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 52.7 t -93.18 124.71 37.35 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.26 172.21 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -75.63 171.61 54.22 Favored Glycine 0 CA--C 1.522 0.525 0 N-CA-C 111.23 -0.748 . . . . 0.0 111.23 177.536 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -68.95 -34.92 76.14 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.784 0.326 . . . . 0.0 111.194 -177.052 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 76.2 p -94.82 -9.32 34.78 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.155 -179.102 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 96.2 t -72.54 128.78 88.05 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.247 -179.587 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 48.1 Cg_endo -66.57 106.36 1.06 Allowed 'Trans proline' 0 N--CA 1.457 -0.661 0 C-N-CA 121.692 1.595 . . . . 0.0 111.218 178.537 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . 0.561 ' N ' ' CD ' ' A' ' 19' ' ' PRO . 80.3 t80 -72.01 -41.62 8.98 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.225 -179.436 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.561 ' CD ' ' N ' ' A' ' 18' ' ' PHE . 80.8 Cg_exo -54.08 -31.76 66.21 Favored 'Trans proline' 0 N--CA 1.458 -0.586 0 C-N-CA 121.69 1.594 . . . . 0.0 111.21 -178.802 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 96.7 mttt -88.77 -37.96 15.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.135 177.317 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 68.9 tp -64.07 -58.37 6.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.233 -176.423 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 9.9 p -62.65 -26.07 39.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.154 -173.57 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 58.6 m -64.76 -50.0 68.54 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.199 175.933 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 97.0 m -64.97 -37.0 86.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.237 177.659 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 56.6 t -64.18 -39.17 84.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.204 179.209 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 82.7 mt -107.33 31.84 5.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.219 -177.577 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 55.7 m -70.58 148.87 47.68 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.242 173.309 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 90.4 m-20 -65.27 -48.36 73.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.203 -176.173 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -68.51 -34.98 76.84 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.177 179.684 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 79.3 t80 -58.26 -52.96 63.39 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.224 175.451 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 85.0 m -70.1 -28.0 65.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.234 -176.733 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 65.8 tt0 -60.95 -60.05 4.41 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.186 178.478 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -67.5 -33.24 74.68 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.182 177.793 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.427 ' HG ' ' HB2' ' A' ' 39' ' ' PHE . 45.0 tp -54.98 -49.92 70.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.155 178.615 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 87.0 mt -61.31 -37.62 78.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.135 178.433 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 88.8 mt-30 -67.47 -20.88 65.53 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.268 -0.423 . . . . 0.0 111.2 177.331 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 22.4 m-30 -88.78 -4.56 58.47 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.162 179.216 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 98.9 10.9 48.17 Favored Glycine 0 CA--C 1.523 0.59 0 N-CA-C 111.153 -0.779 . . . . 0.0 111.153 174.6 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.427 ' HB2' ' HG ' ' A' ' 34' ' ' LEU . 75.8 m-85 -104.09 105.59 15.81 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.768 0.318 . . . . 0.0 111.183 177.653 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 34.3 m -119.5 -0.91 8.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.211 -177.692 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 70.9 mtt85 -125.33 139.97 53.22 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.162 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 23.6 tp -143.82 135.91 26.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.163 -176.103 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.502 HG12 ' HB ' ' A' ' 94' ' ' ILE . 46.4 mt -122.07 129.39 75.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.197 166.857 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 81.0 mt -109.4 122.44 64.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.164 -177.253 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 61.3 tt0 -92.45 119.95 32.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.275 178.664 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 48.3 p90 -149.98 164.96 34.11 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.154 -175.005 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -94.96 -166.72 35.88 Favored Glycine 0 CA--C 1.524 0.622 0 N-CA-C 111.216 -0.754 . . . . 0.0 111.216 -175.028 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -76.61 -38.34 54.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.763 0.316 . . . . 0.0 111.217 -177.348 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 99.3 m-20 -74.2 -36.67 64.0 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.167 176.894 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 15.9 m-30 -85.71 60.32 6.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.177 -178.384 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 88.4 p -134.89 -7.54 2.39 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.218 -177.152 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 69.9 m -65.46 -58.95 4.58 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.196 -176.515 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 66.9 mm-40 -75.45 -16.66 60.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.216 -176.234 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 70.4 t80 -55.88 -52.39 64.24 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.183 179.195 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 56.7 mt-10 -87.01 -23.22 25.08 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.245 -175.907 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 62.5 m170 -60.2 -43.71 95.7 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.232 179.701 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 94.2 mt -65.49 -29.65 70.33 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.23 -178.882 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 75.3 t -73.25 -37.67 52.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.209 177.563 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 88.2 mt-30 -66.16 -31.5 72.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.109 176.882 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -64.23 -31.64 72.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.213 176.832 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 74.5 mmt-85 -96.66 -17.13 20.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.188 -175.902 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 87.21 33.89 11.35 Favored Glycine 0 CA--C 1.523 0.587 0 N-CA-C 111.23 -0.748 . . . . 0.0 111.23 176.554 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -75.87 175.77 51.73 Favored Glycine 0 CA--C 1.523 0.565 0 N-CA-C 111.267 -0.733 . . . . 0.0 111.267 177.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . 0.479 ' HG3' ' HG3' ' A' ' 66' ' ' GLU . 62.4 tp60 -130.1 113.78 14.94 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.873 0.368 . . . . 0.0 111.114 -176.906 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 53.0 ttp180 -61.05 113.15 2.39 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.115 172.196 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.479 ' HG3' ' HG3' ' A' ' 64' ' ' GLN . 93.8 mt-10 -127.43 118.68 24.53 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.218 176.554 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 39.6 t -73.01 131.12 41.74 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.154 175.363 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 89.8 mm-40 -129.64 137.86 50.89 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.228 -174.78 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 96.9 mttt -95.15 75.52 3.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.174 173.594 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 87.6 mt -87.64 135.91 33.53 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.198 -169.677 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 71.1 Cg_endo -72.42 142.07 36.27 Favored 'Trans proline' 0 N--CA 1.458 -0.58 0 C-N-CA 121.69 1.593 . . . . 0.0 111.23 177.536 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 96.6 mt -82.33 -45.4 19.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.199 177.373 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 99.8 m-20 -63.8 -36.59 84.41 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.157 -175.061 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 99.5 mm-40 -88.48 -66.57 0.9 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.217 -178.249 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 63.0 t80 -77.25 -54.69 6.18 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.21 -174.609 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 123.7 17.61 3.12 Favored Glycine 0 CA--C 1.524 0.627 0 N-CA-C 111.205 -0.758 . . . . 0.0 111.205 176.343 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' CYS . . . . . 0.484 ' HA ' ' SD ' ' A' ' 102' ' ' MET . 42.0 t -136.79 152.14 49.96 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.789 0.328 . . . . 0.0 111.228 -178.328 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -74.0 174.67 48.88 Favored Glycine 0 CA--C 1.523 0.571 0 N-CA-C 111.236 -0.745 . . . . 0.0 111.236 -176.006 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 57.6 p-10 -94.44 15.91 16.57 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.78 0.324 . . . . 0.0 111.17 -173.619 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 40.1 p -113.56 38.33 2.95 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.225 174.472 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -85.85 137.96 32.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.237 -169.261 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 84.2 mtt85 -109.99 99.66 8.73 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.192 169.239 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 62.7 tt0 -85.43 135.21 33.96 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.257 -175.118 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 84.8 m-85 -124.19 145.42 49.34 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.177 178.166 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 88.8 t -102.83 111.72 33.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.249 -171.737 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 93.9 mt -123.8 161.89 24.33 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.149 177.407 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 92.1 mmm 59.93 30.51 20.02 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.235 178.217 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 96.4 m-20 65.09 34.33 8.81 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.215 178.562 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 95.02 -2.92 66.54 Favored Glycine 0 CA--C 1.523 0.589 0 N-CA-C 111.209 -0.756 . . . . 0.0 111.209 175.424 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -82.5 -20.26 37.12 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.726 0.298 . . . . 0.0 111.219 -178.646 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 61.1 tp -120.4 123.54 43.31 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.208 176.083 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -110.38 105.65 14.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.16 -178.405 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 74.0 t -108.41 126.29 65.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.194 -174.73 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . 0.502 ' HB ' HG12 ' A' ' 43' ' ' ILE . 98.7 mt -113.48 131.98 63.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.222 178.686 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -76.21 127.31 8.73 Favored Glycine 0 CA--C 1.523 0.565 0 N-CA-C 111.22 -0.752 . . . . 0.0 111.22 175.18 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 54.5 t80 -64.74 120.78 13.09 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.861 0.362 . . . . 0.0 111.227 -178.732 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 36.7 t0 -145.06 43.58 1.33 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.242 171.043 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 43.3 m-85 -120.01 -179.89 4.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.213 -164.132 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 65.1 p -94.61 -170.05 2.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.146 -177.401 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 16.6 m -62.45 -22.18 66.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.251 -179.439 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -56.88 -32.03 65.44 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.25 177.906 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' MET . . . . . 0.484 ' SD ' ' HA ' ' A' ' 77' ' ' CYS . 92.5 mmm -88.99 -27.13 21.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.138 177.013 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 92.3 mt-30 -63.59 -33.35 75.41 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.165 176.31 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 41.1 t -65.87 -43.06 89.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.229 170.256 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . 0.457 HD12 ' SD ' ' A' ' 102' ' ' MET . 64.0 mt -65.26 -35.95 76.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.169 -177.926 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 71.6 mt -55.44 -31.69 28.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.213 178.389 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 80.0 mtm180 -109.86 -33.07 6.84 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.137 -170.361 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 67.3 m-20 -102.19 -50.55 3.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.17 -169.635 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 109' ' ' TYR . . . . . 0.401 ' HB2' HG23 ' A' ' 105' ' ' ILE . 93.2 m-85 -95.49 -5.14 43.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.13 -172.674 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 87.5 p -66.05 164.84 14.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.258 170.614 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 34.3 t70 -107.74 -38.55 5.83 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.181 172.713 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . 0.401 HD23 HD21 ' A' ' 8' ' ' LEU . 60.5 tp -138.01 116.01 11.64 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.241 179.878 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 85.2 t -94.2 136.63 25.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.227 -176.645 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 114' ' ' ILE . . . . . 0.422 ' HB ' HG22 ' A' ' 10' ' ' VAL . 90.0 mt -123.19 131.56 73.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.194 176.396 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 22.7 t -162.55 162.44 27.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.198 176.013 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 116' ' ' HIS . . . . . 0.434 ' HA ' ' HB3' ' A' ' 135' ' ' CYS . 63.1 t-80 -85.61 146.03 27.06 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.217 176.318 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . 0.443 ' HA ' HD13 ' A' ' 122' ' ' ILE . . . -54.29 132.86 44.56 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.193 177.087 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 107.18 15.27 16.44 Favored Glycine 0 CA--C 1.523 0.591 0 N-CA-C 111.198 -0.761 . . . . 0.0 111.198 172.483 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 48.2 p -106.59 172.55 6.75 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.757 0.313 . . . . 0.0 111.217 174.738 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -85.7 -30.81 22.96 Favored Glycine 0 CA--C 1.523 0.575 0 N-CA-C 111.251 -0.74 . . . . 0.0 111.251 174.096 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 42.7 t -64.74 -38.97 92.81 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.803 0.335 . . . . 0.0 111.14 178.65 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 122' ' ' ILE . . . . . 0.493 HG13 HD11 ' A' ' 132' ' ' LEU . 13.7 tt -69.78 -19.98 23.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.205 -178.805 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 90.7 mt -93.0 -24.75 18.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.161 -179.782 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 87.2 m-20 -64.38 -37.83 88.88 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.151 175.926 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 74.6 m -62.3 -32.59 73.35 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.27 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 81.2 mt -64.3 -49.77 70.49 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.218 178.521 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 46.1 ptt85 -75.1 -20.0 59.67 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.196 -176.554 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 95.9 mt -93.61 -9.31 38.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.199 179.199 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 91.9 m-20 63.46 38.47 9.89 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.253 -179.48 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 12.9 mmmm -101.01 140.78 21.58 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.215 -179.373 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 71.3 Cg_exo -49.83 131.41 29.37 Favored 'Trans proline' 0 N--CA 1.459 -0.535 0 C-N-CA 121.67 1.58 . . . . 0.0 111.157 176.459 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 132' ' ' LEU . . . . . 0.493 HD11 HG13 ' A' ' 122' ' ' ILE . 58.8 tp -140.33 126.99 20.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.188 -168.02 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 89.6 mt -99.29 116.82 43.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.19 167.682 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 93.6 t -92.17 99.05 9.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.245 -177.615 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 135' ' ' CYS . . . . . 0.434 ' HB3' ' HA ' ' A' ' 116' ' ' HIS . 51.8 t -77.92 138.2 38.75 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.198 -178.514 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 33.3 m -124.23 154.98 31.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.193 178.692 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 46.4 p30 -83.77 -174.86 5.53 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.26 178.595 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 72.7 m-20 -86.75 -9.97 54.68 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.21 -172.19 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 78.9 p -81.89 -10.29 59.34 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.212 -177.016 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 57.4 tp -72.25 128.78 36.71 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.151 179.477 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 141' ' ' MET . . . . . . . . . . . . . 57.7 ttm -65.21 140.05 58.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.213 173.936 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 99.7 m-20 -59.23 -40.53 86.17 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.234 179.724 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 99.3 m-20 -64.96 -37.73 88.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.235 178.056 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 144' ' ' HIS . . . . . . . . . . . . . 65.1 m170 -69.94 -32.87 71.35 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.193 177.696 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 145' ' ' GLN . . . . . 0.421 ' HG3' ' HD3' ' A' ' 163' ' ' PRO . 19.0 tm0? -64.43 -38.55 91.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.197 176.268 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 146' ' ' GLN . . . . . . . . . . . . . 73.4 tp60 -65.01 -43.44 92.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.247 175.927 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 147' ' ' GLN . . . . . . . . . . . . . 87.9 mt-30 -63.14 -34.97 78.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.23 178.467 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 148' ' ' ILE . . . . . . . . . . . . . 89.6 mt -64.86 -46.33 92.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.271 172.924 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -67.76 -25.07 65.44 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.184 179.305 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 94.4 m-20 -70.49 -14.98 62.75 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.151 179.467 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 151' ' ' LYS . . . . . . . . . . . . . 75.4 mmtt -102.82 -34.03 9.14 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.167 176.07 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 152' ' ' PHE . . . . . . . . . . . . . 16.0 m-30 -74.49 -28.18 60.89 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.141 179.694 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 153' ' ' VAL . . . . . . . . . . . . . 9.9 p -58.45 -24.74 25.85 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.189 178.209 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -81.29 -27.82 34.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.182 178.048 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 155' ' ' LEU . . . . . . . . . . . . . 96.3 mt -68.7 -38.99 80.69 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.144 -176.45 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . 95.03 -45.26 2.11 Favored Glycine 0 CA--C 1.524 0.611 0 N-CA-C 111.147 -0.781 . . . . 0.0 111.147 171.165 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 157' ' ' TYR . . . . . . . . . . . . . 51.8 p90 -108.61 -3.87 17.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.816 0.341 . . . . 0.0 111.178 -177.448 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 158' ' ' VAL . . . . . . . . . . . . . 60.5 t -108.77 125.46 65.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.183 173.771 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 159' ' ' TRP . . . . . . . . . . . . . 89.7 m95 -137.79 142.42 40.86 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.246 -178.867 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 160' ' ' SER . . . . . . . . . . . . . 13.3 t -97.7 149.64 22.06 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.152 -171.495 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 161' ' ' CYS . . . . . 0.494 ' SG ' ' HA ' ' A' ' 168' ' ' LEU . 71.6 m -87.75 162.82 16.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.175 172.149 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -91.49 154.8 44.36 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.187 173.026 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 163' ' ' PRO . . . . . 0.421 ' HD3' ' HG3' ' A' ' 145' ' ' GLN . 97.2 Cg_endo -74.98 67.31 5.94 Favored 'Trans proline' 0 N--CA 1.459 -0.551 0 C-N-CA 121.716 1.611 . . . . 0.0 111.214 178.701 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 164' ' ' THR . . . . . . . . . . . . . 14.1 t -157.95 -178.19 7.12 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.183 -177.309 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 165' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -70.12 -33.48 71.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.222 -173.085 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 166' ' ' THR . . . . . . . . . . . . . 70.3 p -101.84 21.15 15.06 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.214 -179.73 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 167' ' ' GLY . . . . . . . . . . . . . . . -62.6 -48.39 81.99 Favored Glycine 0 CA--C 1.524 0.61 0 N-CA-C 111.208 -0.757 . . . . 0.0 111.208 -178.142 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 168' ' ' LEU . . . . . 0.494 ' HA ' ' SG ' ' A' ' 161' ' ' CYS . 23.2 tp -65.03 -32.94 74.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.84 0.352 . . . . 0.0 111.226 179.815 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 97.3 mt -64.02 -41.4 92.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.265 175.578 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 170' ' ' ALA . . . . . . . . . . . . . . . -65.01 -39.43 93.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.197 176.712 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 171' ' ' GLY . . . . . . . . . . . . . . . -62.86 -45.68 95.19 Favored Glycine 0 CA--C 1.523 0.557 0 N-CA-C 111.167 -0.773 . . . . 0.0 111.167 177.856 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 57.7 tp -59.12 -56.56 20.61 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.81 0.338 . . . . 0.0 111.172 176.212 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 173' ' ' ARG . . . . . . . . . . . . . 38.1 ttm180 -53.88 -45.02 70.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.234 -179.331 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -59.3 -45.45 91.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.231 -177.307 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 68.9 p -73.26 -25.31 60.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.207 -176.145 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 176' ' ' GLN . . . . . . . . . . . . . 89.5 mm-40 -102.68 -6.26 22.89 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.181 -175.062 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 177' ' ' THR . . . . . . . . . . . . . 63.8 m -97.87 -48.76 5.06 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.173 174.577 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 178' ' ' GLU . . . . . . . . . . . . . 73.6 mm-40 -79.97 145.39 32.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.169 -179.561 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 179' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -64.89 129.95 41.64 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.262 -178.363 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 180' ' ' LEU . . . . . . . . . . . . . 85.7 mt -75.29 132.6 41.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.156 176.582 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 181' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -135.32 140.67 35.12 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.2 -178.071 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 182' ' ' PRO . . . . . . . . . . . . . 57.1 Cg_endo -70.38 127.64 14.37 Favored 'Trans proline' 0 N--CA 1.458 -0.576 0 C-N-CA 121.724 1.616 . . . . 0.0 111.203 179.627 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 183' ' ' PHE . . . . . . . . . . . . . 29.5 t80 -87.33 134.65 35.88 Favored Pre-proline 0 C--N 1.327 -0.371 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.217 177.384 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 184' ' ' PRO . . . . . . . . . . . . . 92.3 Cg_exo -52.2 -42.21 61.06 Favored 'Trans proline' 0 C--N 1.328 -0.545 0 C-N-CA 121.711 1.608 . . . . 0.0 111.095 -174.105 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 185' ' ' VAL . . . . . . . . . . . . . 84.6 t -76.76 118.58 23.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.165 -177.499 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 186' ' ' SER . . . . . . . . . . . . . 50.0 m -122.18 24.12 9.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.159 178.658 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 187' ' ' HIS . . . . . . . . . . . . . 92.5 m-70 -120.37 125.13 47.23 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.186 -171.551 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 188' ' ' ASN . . . . . 0.555 ' N ' ' CD ' ' A' ' 189' ' ' PRO . 39.2 t30 -62.05 -41.52 76.36 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.181 178.502 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 189' ' ' PRO . . . . . 0.555 ' CD ' ' N ' ' A' ' 188' ' ' ASN . 61.4 Cg_exo -55.0 -34.18 85.97 Favored 'Trans proline' 0 N--CA 1.458 -0.601 0 C-N-CA 121.685 1.59 . . . . 0.0 111.219 176.302 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 190' ' ' SER . . . . . . . . . . . . . 73.7 m -78.44 -32.07 48.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.18 179.222 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 191' ' ' PHE . . . . . 0.413 ' HA ' ' HB3' ' A' ' 194' ' ' LEU . 41.3 m-85 -74.08 -22.56 59.46 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.256 175.011 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 192' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -52.13 -39.88 60.54 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.199 -176.053 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 193' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -104.37 -22.16 13.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.214 -177.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 194' ' ' LEU . . . . . 0.413 ' HB3' ' HA ' ' A' ' 191' ' ' PHE . 59.2 tp -72.31 -60.04 2.43 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.255 -178.002 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 195' ' ' LEU . . . . . . . . . . . . . 85.5 mt -112.83 -35.31 5.5 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.213 -171.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 196' ' ' VAL . . . . . . . . . . . . . 66.0 t -68.25 -40.69 83.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.216 -170.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 197' ' ' GLU . . . . . . . . . . . . . 94.9 mt-10 -99.45 9.43 43.29 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.117 -178.49 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 198' ' ' THR . . . . . . . . . . . . . 91.2 m -115.16 -47.59 2.85 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.194 178.821 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 199' ' ' ILE . . . . . . . . . . . . . 96.7 mt -114.51 -37.6 2.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.263 -172.755 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 200' ' ' TYR . . . . . . . . . . . . . 80.9 m-85 -96.93 19.04 13.36 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.155 -178.6 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 201' ' ' SER . . . . . . . . . . . . . 40.5 t . . . . . 0 C--O 1.201 -1.471 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.191 179.576 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.534 0 N-CA-C 111.182 -0.767 . . . . 0.0 111.182 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 98.0 mt -103.89 -53.39 7.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.852 0.358 . . . . 0.0 111.199 179.656 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 90.9 mt -77.93 108.61 11.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.209 174.818 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 94.9 mt-10 -110.0 -0.07 18.28 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.158 -172.749 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -119.56 150.64 39.94 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.224 -176.857 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 85.5 mttt -74.24 157.25 36.2 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.214 175.57 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -164.82 173.8 11.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.193 -171.613 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.457 HD13 ' C ' ' A' ' 8' ' ' LEU . 3.1 tm? -95.89 121.05 37.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.23 172.707 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 85.1 t80 -84.47 125.34 32.29 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.223 -177.469 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.411 ' HB ' HG12 ' A' ' 44' ' ' ILE . 91.5 t -117.85 135.75 57.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.205 174.77 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 93.5 m -95.02 118.36 31.71 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.19 176.574 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 71.7 m -131.81 59.86 1.69 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.211 165.565 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -74.35 170.16 53.67 Favored Glycine 0 CA--C 1.522 0.512 0 N-CA-C 111.205 -0.758 . . . . 0.0 111.205 -175.693 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -73.68 -33.98 64.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.819 0.343 . . . . 0.0 111.24 -172.304 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 99.0 m -73.41 -50.09 23.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.181 -171.206 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 95.5 t -78.82 130.45 70.37 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.211 -173.847 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_exo -57.31 130.89 41.65 Favored 'Trans proline' 0 N--CA 1.457 -0.635 0 C-N-CA 121.68 1.587 . . . . 0.0 111.2 176.468 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 88.8 m-85 -133.98 69.85 74.74 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.226 168.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 36.2 Cg_endo -67.25 -61.5 0.08 OUTLIER 'Trans proline' 0 N--CA 1.458 -0.592 0 C-N-CA 121.736 1.624 . . . . 0.0 111.219 -177.358 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -117.67 4.64 12.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.202 178.878 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 95.9 mt -71.69 -23.8 61.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.21 -175.939 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 71.5 t -74.41 -40.33 49.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.22 175.948 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 85.0 p -68.38 -25.14 64.92 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.173 -179.332 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 98.7 m -71.83 -40.1 69.32 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.222 173.503 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 55.5 t -64.46 -37.38 79.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.235 174.495 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 97.4 mt -104.86 34.85 2.99 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.2 -176.651 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 55.4 p -75.88 159.47 30.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.208 173.398 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 97.9 m-20 -63.1 -40.03 96.43 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.172 178.765 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -73.39 -40.28 64.45 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.172 -176.071 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 59.8 t80 -61.85 -52.84 62.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.218 179.39 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 98.8 m -66.16 -36.28 82.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.202 -178.439 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 66.2 tt0 -56.22 -46.02 79.67 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.219 179.69 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 91.0 mt-10 -88.94 -22.38 23.11 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.181 -177.373 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 47.2 tp -53.78 -44.81 70.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.255 179.621 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 45.0 pt -74.21 -13.28 15.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.192 -179.776 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 67.6 mt-30 -94.93 -5.27 45.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.225 179.438 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 40.8 m-85 -105.06 10.83 33.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.217 172.935 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 86.86 27.23 29.56 Favored Glycine 0 CA--C 1.524 0.64 0 N-CA-C 111.114 -0.794 . . . . 0.0 111.114 174.68 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 81.8 m-85 -122.38 74.79 1.2 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.893 0.377 . . . . 0.0 111.206 176.167 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 33.1 m -83.48 -10.09 11.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.152 177.474 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 61.4 ttm-85 -112.19 120.74 42.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.168 172.481 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 63.4 tp -113.2 119.88 39.3 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.133 179.473 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.49 HG23 ' CD1' ' A' ' 96' ' ' PHE . 69.8 mt -114.32 114.88 47.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.228 -175.758 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.411 HG12 ' HB ' ' A' ' 10' ' ' VAL . 62.2 mt -114.64 113.51 43.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.24 -175.42 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 20.0 tm0? -81.62 117.46 22.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.217 178.311 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 70.1 m-85 -104.36 137.76 41.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.247 -178.629 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -83.43 -168.79 43.96 Favored Glycine 0 CA--C 1.523 0.586 0 N-CA-C 111.195 -0.762 . . . . 0.0 111.195 173.833 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 84.2 mtp180 -80.36 -19.83 45.52 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.776 0.322 . . . . 0.0 111.154 -177.605 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 92.8 m-20 -85.27 -13.93 48.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.206 -178.315 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 77.7 m-85 -124.39 104.06 8.55 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.198 -174.551 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 91.5 p -78.74 159.72 27.79 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.223 177.51 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 46.6 t -101.34 90.95 4.28 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.158 178.674 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 61.2 mm-40 -123.65 71.04 1.07 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.204 -177.444 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 82.3 m-85 -118.77 26.4 9.58 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.187 -174.319 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 25.1 pt-20 -73.76 -13.07 60.89 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.141 176.088 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 99.0 m-70 -89.53 -25.3 21.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.174 173.056 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 64.2 tp -60.83 -47.3 86.98 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.246 171.948 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 19.2 m -75.16 -25.0 17.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.143 179.354 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 66.0 tt0 -63.07 -40.07 96.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.301 178.435 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -73.08 -27.07 61.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.161 179.014 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 80.4 mmt-85 -95.58 -13.81 24.09 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.137 -171.78 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 89.03 22.22 39.32 Favored Glycine 0 CA--C 1.523 0.584 0 N-CA-C 111.166 -0.773 . . . . 0.0 111.166 177.836 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -95.76 -162.9 33.78 Favored Glycine 0 CA--C 1.523 0.589 0 N-CA-C 111.202 -0.759 . . . . 0.0 111.202 -179.569 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . 0.473 ' H ' ' HB ' ' A' ' 85' ' ' VAL . 10.3 mm-40 -129.97 159.95 35.12 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.772 0.32 . . . . 0.0 111.276 -177.119 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 7.0 tmm_? -119.38 120.66 37.53 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.251 175.697 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 -126.24 155.74 41.39 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.26 -177.653 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 88.6 p -87.88 159.39 18.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.193 -179.66 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 65.5 mm-40 -140.03 90.01 2.35 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.195 174.185 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -77.24 80.63 3.75 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.182 -178.618 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 50.0 mm -65.68 123.34 84.42 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.223 -176.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 80.0 Cg_exo -48.8 120.87 5.8 Favored 'Trans proline' 0 N--CA 1.458 -0.612 0 C-N-CA 121.77 1.647 . . . . 0.0 111.188 178.936 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 96.6 mt -76.8 -37.08 27.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.24 -176.169 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 99.7 m-20 -66.25 -23.0 66.34 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.175 -173.314 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 99.7 mm-40 -82.27 -50.17 9.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.204 -173.451 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 7.9 m-30 -99.98 -40.02 7.86 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.199 -177.494 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 101.52 -0.13 53.18 Favored Glycine 0 CA--C 1.523 0.558 0 N-CA-C 111.154 -0.778 . . . . 0.0 111.154 -174.235 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 29.0 p -88.26 -179.55 6.16 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.736 0.303 . . . . 0.0 111.212 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -80.15 163.41 47.09 Favored Glycine 0 CA--C 1.525 0.66 0 N-CA-C 111.182 -0.767 . . . . 0.0 111.182 -177.707 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 51.2 p-10 -108.49 30.34 6.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.853 0.358 . . . . 0.0 111.236 179.062 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 60.1 p -103.46 19.3 19.99 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.23 -173.801 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -65.35 145.83 55.68 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.194 -179.044 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -132.38 119.76 21.12 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.184 -172.081 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 62.2 tt0 -87.88 137.95 31.88 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.125 -177.653 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 84.8 m-85 -128.89 118.83 23.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.252 178.319 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.473 ' HB ' ' H ' ' A' ' 64' ' ' GLN . 84.7 t -88.44 117.7 32.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.205 -177.943 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 96.4 mt -124.88 168.67 12.94 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.286 179.095 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 82.1 mmm 61.42 30.45 18.93 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.125 175.377 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 96.3 m-20 64.95 33.25 10.0 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.228 176.862 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 97.7 -3.98 61.26 Favored Glycine 0 CA--C 1.523 0.539 0 N-CA-C 111.269 -0.732 . . . . 0.0 111.269 175.339 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -79.99 -23.92 41.23 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.811 0.338 . . . . 0.0 111.203 -178.404 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 60.0 tp -121.52 126.67 49.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.202 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -109.67 102.43 11.25 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.222 175.829 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 59.9 t -101.3 108.65 23.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.162 -178.477 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 73.8 mt -115.33 123.77 71.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.169 -178.174 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -86.9 132.13 10.98 Favored Glycine 0 CA--C 1.523 0.564 0 N-CA-C 111.202 -0.759 . . . . 0.0 111.202 171.108 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' PHE . . . . . 0.49 ' CD1' HG23 ' A' ' 43' ' ' ILE . 59.9 m-85 -114.6 151.66 33.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.79 0.329 . . . . 0.0 111.228 -174.175 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 53.1 t0 -102.04 69.72 1.18 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.178 -179.605 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 88.1 m-85 -103.66 157.45 17.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.201 172.597 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 52.4 p -78.53 178.3 7.88 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.194 172.001 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 74.3 p -74.55 -10.1 59.22 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.154 178.205 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -105.49 -7.01 18.94 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.181 179.745 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 66.6 mtt -103.11 6.55 38.59 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.167 -179.473 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 95.4 mt-30 -60.12 -32.95 71.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.18 178.003 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . . . . . . . . . 73.3 m -57.79 -32.96 68.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.256 -178.169 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 94.1 mt -54.42 -52.87 35.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.249 178.445 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 96.9 mt -67.66 -43.9 86.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.206 179.771 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 88.4 mtm-85 -57.66 -37.16 72.91 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.11 -173.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 95.1 m-20 -62.12 -27.49 68.97 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.159 -178.889 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 109' ' ' TYR . . . . . . . . . . . . . 56.1 m-85 -95.28 -26.93 15.73 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.229 -178.146 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 65.3 p -67.88 162.54 23.94 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.256 -178.726 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 18.6 t70 -111.79 -9.94 14.06 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.232 178.892 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 63.0 tp -153.35 140.04 18.93 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.216 -179.79 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 91.4 t -112.33 121.65 65.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.224 -177.06 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 114' ' ' ILE . . . . . 0.403 HD12 HD11 ' A' ' 8' ' ' LEU . 62.1 mt -120.19 111.19 31.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.16 171.45 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 70.6 m -123.33 166.91 14.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.201 178.087 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 89.5 m-70 -110.49 84.58 1.95 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.127 178.571 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . 55.34 53.4 9.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.272 -173.456 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . -83.84 -176.97 51.45 Favored Glycine 0 CA--C 1.523 0.541 0 N-CA-C 111.218 -0.753 . . . . 0.0 111.218 -179.763 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 38.4 p -125.05 -69.93 0.77 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.817 0.341 . . . . 0.0 111.139 -179.058 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -62.63 -30.69 77.48 Favored Glycine 0 CA--C 1.524 0.644 0 N-CA-C 111.185 -0.766 . . . . 0.0 111.185 -177.008 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 86.6 p -68.25 -25.86 65.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.857 0.36 . . . . 0.0 111.191 -179.068 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 122' ' ' ILE . . . . . 0.419 HG12 HD21 ' A' ' 132' ' ' LEU . 96.7 mt -62.06 -45.53 98.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.17 174.23 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 59.8 tp -66.06 -49.09 68.84 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.21 -177.484 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 72.5 m-20 -65.85 -35.87 81.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.272 -172.114 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 21.7 t -64.02 -51.98 61.64 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.167 178.132 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 93.9 mt -65.95 -26.89 67.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.179 173.899 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 127' ' ' ARG . . . . . 0.586 ' HA ' ' HB3' ' A' ' 188' ' ' ASN . 69.1 ttp85 -69.07 -39.81 78.86 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.234 177.144 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . 0.414 ' O ' ' HB2' ' A' ' 129' ' ' ASN . 92.1 mt -87.75 -1.96 58.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.203 -176.474 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 129' ' ' ASN . . . . . 0.414 ' HB2' ' O ' ' A' ' 128' ' ' LEU . 89.9 m-20 67.16 35.05 4.68 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.235 -178.217 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 74.6 mmtt -114.73 148.69 40.94 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.221 179.482 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 57.5 Cg_exo -55.04 135.2 67.72 Favored 'Trans proline' 0 N--CA 1.456 -0.688 0 C-N-CA 121.703 1.602 . . . . 0.0 111.204 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 132' ' ' LEU . . . . . 0.419 HD21 HG12 ' A' ' 122' ' ' ILE . 61.1 tp -108.08 119.65 40.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.173 178.371 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 133' ' ' ILE . . . . . 0.401 ' HB ' HG12 ' A' ' 114' ' ' ILE . 87.5 mt -105.53 122.22 58.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.218 174.541 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 97.6 t -123.19 122.67 65.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.219 -178.642 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 135' ' ' CYS . . . . . . . . . . . . . 46.7 t -99.46 126.78 45.45 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.179 176.606 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 89.0 t -69.31 110.05 2.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.19 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 44.2 p30 -87.37 -172.39 3.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.201 -177.848 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 99.1 m-20 -85.86 -7.74 58.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.233 -172.601 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 74.1 p -84.55 -14.18 49.66 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.211 -175.917 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 95.3 mt -88.51 149.98 23.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.201 176.037 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 141' ' ' MET . . . . . . . . . . . . . 98.8 mtp -83.71 169.72 14.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.162 175.2 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -60.54 -38.55 84.85 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.188 175.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 99.3 m-20 -67.4 -35.97 80.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.223 176.488 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 144' ' ' HIS . . . . . . . . . . . . . 56.6 m170 -63.27 -46.72 85.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.162 175.78 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 145' ' ' GLN . . . . . . . . . . . . . 64.6 tt0 -56.63 -48.3 77.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.218 177.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 146' ' ' GLN . . . . . . . . . . . . . 73.6 tp60 -61.06 -51.61 68.44 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.179 -176.781 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 147' ' ' GLN . . . . . . . . . . . . . 90.2 mt-30 -68.97 -45.48 70.54 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.236 -175.174 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 148' ' ' ILE . . . . . . . . . . . . . 78.9 mt -65.09 -43.32 95.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.139 -177.143 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -65.08 -42.03 94.47 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.159 179.531 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 92.6 m-20 -65.04 -32.21 73.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.19 179.754 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 151' ' ' LYS . . . . . 0.402 ' HD3' ' HA ' ' A' ' 151' ' ' LYS . 67.5 mmtt -79.2 -31.09 43.68 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.219 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 152' ' ' PHE . . . . . . . . . . . . . 15.3 m-30 -61.43 -40.49 94.63 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.159 170.565 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 153' ' ' VAL . . . . . . . . . . . . . 67.6 t -68.4 -45.01 83.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.248 176.26 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 88.1 tt0 -58.47 -42.62 87.87 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.206 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 155' ' ' LEU . . . . . . . . . . . . . 50.6 tp -70.75 -53.41 15.64 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.219 178.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 156' ' ' GLY . . . . . . . . . . . . . . . 90.03 6.92 68.72 Favored Glycine 0 CA--C 1.524 0.604 0 N-CA-C 111.18 -0.768 . . . . 0.0 111.18 172.539 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 157' ' ' TYR . . . . . . . . . . . . . 92.9 m-85 -113.84 0.75 14.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.801 0.334 . . . . 0.0 111.194 178.094 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 158' ' ' VAL . . . . . . . . . . . . . 40.7 t -129.61 134.32 63.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.218 -178.464 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 159' ' ' TRP . . . . . . . . . . . . . 85.8 m95 -98.59 140.42 32.84 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.236 -178.164 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 160' ' ' SER . . . . . . . . . . . . . 42.6 t -105.89 115.92 31.06 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.193 179.581 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 161' ' ' CYS . . . . . . . . . . . . . 74.8 m -114.76 152.72 31.6 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.207 -178.132 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -83.93 156.28 64.16 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.23 173.43 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 163' ' ' PRO . . . . . . . . . . . . . 90.6 Cg_endo -77.16 64.18 7.81 Favored 'Trans proline' 0 N--CA 1.458 -0.576 0 C-N-CA 121.697 1.598 . . . . 0.0 111.233 -179.636 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 164' ' ' THR . . . . . . . . . . . . . 15.9 p -135.52 177.86 7.49 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.197 175.695 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 165' ' ' GLU . . . . . . . . . . . . . 25.2 pt-20 -76.71 -4.74 44.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.187 176.402 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 166' ' ' THR . . . . . . . . . . . . . 82.4 p -112.9 -26.69 8.41 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.162 -175.474 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 167' ' ' GLY . . . . . . . . . . . . . . . -63.9 -40.26 98.15 Favored Glycine 0 CA--C 1.523 0.568 0 N-CA-C 111.18 -0.768 . . . . 0.0 111.18 175.917 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 168' ' ' LEU . . . . . . . . . . . . . 96.0 mt -65.76 -35.53 80.97 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.793 0.33 . . . . 0.0 111.217 177.844 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 169' ' ' ILE . . . . . . . . . . . . . 97.1 mt -67.78 -42.14 85.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.196 177.678 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 170' ' ' ALA . . . . . . . . . . . . . . . -60.84 -45.73 93.36 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.23 179.207 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 171' ' ' GLY . . . . . . . . . . . . . . . -67.36 -41.76 90.76 Favored Glycine 0 CA--C 1.524 0.606 0 N-CA-C 111.157 -0.777 . . . . 0.0 111.157 177.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 63.0 tp -55.34 -46.3 76.4 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.805 0.336 . . . . 0.0 111.222 177.583 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 173' ' ' ARG . . . . . . . . . . . . . 61.7 ttt85 -68.34 -39.83 81.77 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.202 177.123 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -60.56 -36.94 79.71 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.245 -175.224 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 54.7 p -63.05 -24.42 67.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.177 179.32 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 176' ' ' GLN . . . . . . . . . . . . . 88.9 mm-40 -100.56 2.01 41.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.192 -179.382 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 177' ' ' THR . . . . . . . . . . . . . 96.8 m -95.95 -51.81 4.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.166 -177.69 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 178' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -105.59 111.53 24.26 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.188 -177.643 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 179' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -65.54 129.87 41.28 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.212 174.396 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 180' ' ' LEU . . . . . . . . . . . . . 89.7 mt -85.1 145.14 27.8 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.214 -177.564 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 181' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -103.27 160.44 26.14 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.192 -178.201 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 182' ' ' PRO . . . . . . . . . . . . . 78.3 Cg_exo -54.01 144.76 55.69 Favored 'Trans proline' 0 N--CA 1.458 -0.572 0 C-N-CA 121.656 1.571 . . . . 0.0 111.189 179.761 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 183' ' ' PHE . . . . . . . . . . . . . 79.7 m-85 -74.49 147.48 84.91 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.257 -177.923 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 184' ' ' PRO . . . . . . . . . . . . . 57.6 Cg_endo -68.24 -19.68 44.05 Favored 'Trans proline' 0 N--CA 1.459 -0.545 0 C-N-CA 121.685 1.59 . . . . 0.0 111.186 176.827 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 185' ' ' VAL . . . . . . . . . . . . . 95.6 t -108.92 120.99 61.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.206 178.893 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 186' ' ' SER . . . . . . . . . . . . . 96.1 p -71.41 -21.24 62.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.212 -174.32 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 187' ' ' HIS . . . . . . . . . . . . . 96.8 m-70 -92.63 102.13 14.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.186 179.221 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 188' ' ' ASN . . . . . 0.586 ' HB3' ' HA ' ' A' ' 127' ' ' ARG . 82.9 m-20 -72.6 -39.66 6.06 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.168 176.359 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 189' ' ' PRO . . . . . 0.581 ' CD ' ' N ' ' A' ' 188' ' ' ASN . 75.9 Cg_exo -54.82 -30.27 67.03 Favored 'Trans proline' 0 N--CA 1.458 -0.577 0 C-N-CA 121.736 1.624 . . . . 0.0 111.191 178.719 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 190' ' ' SER . . . . . . . . . . . . . 74.6 m -70.45 -16.54 62.94 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.137 -177.195 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 191' ' ' PHE . . . . . 0.479 ' HA ' ' HB2' ' A' ' 194' ' ' LEU . 18.9 m-30 -60.16 -21.9 62.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.194 -178.852 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 192' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -43.5 -39.83 3.57 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.202 178.69 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 193' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -117.67 -19.77 9.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.181 -178.707 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 194' ' ' LEU . . . . . 0.479 ' HB2' ' HA ' ' A' ' 191' ' ' PHE . 4.6 mp -72.28 -57.8 3.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.247 -179.589 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 195' ' ' LEU . . . . . . . . . . . . . 85.1 mt -107.41 -47.05 3.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.153 -173.048 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 196' ' ' VAL . . . . . 0.419 HG22 HG22 ' A' ' 122' ' ' ILE . 71.5 t -56.91 -52.41 55.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.154 -167.736 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 197' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -66.72 -31.15 71.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.215 -179.603 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 198' ' ' THR . . . . . . . . . . . . . 96.7 m -71.13 -45.69 63.09 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.242 -176.769 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 199' ' ' ILE . . . . . . . . . . . . . 39.4 pt -86.92 -15.01 9.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.174 -169.904 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 200' ' ' TYR . . . . . . . . . . . . . 25.2 t80 -102.96 39.96 1.46 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.205 174.523 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 201' ' ' SER . . . . . . . . . . . . . 47.1 t . . . . . 0 C--O 1.2 -1.515 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.223 -178.14 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.561 0 N-CA-C 111.173 -0.771 . . . . 0.0 111.173 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 96.9 mt -71.87 -44.97 66.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.791 0.329 . . . . 0.0 111.214 -179.682 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 46.3 pt -115.07 8.02 7.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.088 -179.485 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -145.01 109.75 5.02 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.198 179.37 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 93.9 mt-10 -124.95 72.32 1.22 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.233 -179.833 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -80.85 150.02 29.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.14 -178.402 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.515 ' HB3' ' HA ' ' A' ' 110' ' ' SER . . . -122.84 144.29 49.3 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.237 -176.408 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.441 HD23 ' HB2' ' A' ' 112' ' ' LEU . 92.6 mt -111.37 146.45 37.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.222 -178.634 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . 0.445 ' CD1' ' C ' ' A' ' 9' ' ' PHE . 1.0 OUTLIER -120.01 93.0 3.91 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.19 177.798 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 98.4 t -81.43 121.88 35.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.235 -176.44 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 75.5 m -125.06 116.07 21.52 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.195 169.438 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.444 ' HA ' ' HB2' ' A' ' 116' ' ' HIS . 79.3 m -80.28 151.01 29.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.216 -176.601 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -94.96 -164.92 35.39 Favored Glycine 0 CA--C 1.523 0.587 0 N-CA-C 111.209 -0.757 . . . . 0.0 111.209 -179.388 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -101.47 -30.19 11.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.757 0.313 . . . . 0.0 111.209 -174.378 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 95.7 m -60.16 -50.77 72.37 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.193 -173.755 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 96.6 t -92.82 134.82 26.96 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.16 178.813 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 89.7 Cg_exo -46.81 133.31 17.46 Favored 'Trans proline' 0 N--CA 1.458 -0.581 0 C-N-CA 121.7 1.6 . . . . 0.0 111.183 179.378 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . 0.562 ' HB3' ' HD3' ' A' ' 19' ' ' PRO . 89.7 t80 -58.14 -44.72 99.52 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.132 -172.289 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.562 ' HD3' ' HB3' ' A' ' 18' ' ' PHE . 76.7 Cg_exo -55.22 -37.31 94.42 Favored 'Trans proline' 0 N--CA 1.458 -0.612 0 C-N-CA 121.753 1.635 . . . . 0.0 111.226 -179.864 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -73.92 -40.55 63.04 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.202 -175.185 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 89.4 mt -64.95 -35.72 82.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.231 178.636 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 70.0 t -72.54 -40.98 63.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.206 177.092 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 48.4 t -59.86 -41.06 90.64 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.169 -178.419 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 86.8 m -62.19 -30.74 71.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.175 178.613 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 73.7 t -82.89 -30.98 8.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.17 -179.233 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 96.7 mt -87.76 2.89 50.06 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.2 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 9.7 t -56.04 140.02 44.89 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.184 175.36 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 97.0 m-20 -64.8 -39.22 93.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.18 179.412 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -72.5 -37.93 68.26 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.151 179.068 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 69.9 t80 -56.12 -48.7 75.69 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.231 173.47 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 87.4 m -67.49 -38.88 85.03 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.197 179.617 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 66.6 tt0 -55.6 -41.26 73.17 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.197 178.51 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 71.0 mm-40 -65.03 -43.11 93.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.174 179.102 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.401 HD21 HD13 ' A' ' 172' ' ' LEU . 81.7 mt -59.36 -35.72 74.4 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.23 -178.853 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 91.2 mt -59.57 -40.05 81.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.167 179.255 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 90.2 mt-30 -75.37 -34.43 61.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.215 179.236 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 13.7 m-30 -65.07 -41.16 95.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.154 -177.181 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 121.58 21.16 3.05 Favored Glycine 0 CA--C 1.524 0.639 0 N-CA-C 111.221 -0.752 . . . . 0.0 111.221 -177.597 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 92.3 m-85 -99.81 133.33 44.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.805 0.336 . . . . 0.0 111.204 176.641 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 87.5 t -121.14 -35.53 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.185 -173.65 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 81.9 mtt85 -110.22 109.95 20.61 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.213 -178.342 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 65.3 tp -110.63 101.49 10.14 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.156 -177.307 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.506 HG12 ' HB ' ' A' ' 94' ' ' ILE . 96.0 mt -101.81 134.49 42.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.14 -174.797 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 78.4 mt -121.19 130.57 74.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.223 177.851 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 66.2 tt0 -75.18 127.72 33.85 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.216 174.032 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . 0.471 ' CB ' ' HA3' ' A' ' 47' ' ' GLY . 72.6 m-85 -119.76 158.33 26.75 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.234 177.715 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . 0.471 ' HA3' ' CB ' ' A' ' 46' ' ' PHE . . . 123.12 18.4 3.13 Favored Glycine 0 CA--C 1.524 0.627 0 N-CA-C 111.247 -0.741 . . . . 0.0 111.247 5.707 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 96.9 mtt180 65.03 56.86 1.01 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.823 0.344 . . . . 0.0 111.192 173.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 76.4 m-20 52.91 44.95 29.73 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.253 174.734 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 28.0 t80 -66.83 -18.41 65.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.173 -179.209 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 31.7 m -49.7 -35.41 21.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.192 175.503 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 88.8 p -69.77 -18.29 63.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.178 -177.111 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 73.6 mm-40 -80.94 -19.9 43.19 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.252 -178.799 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 72.2 m-85 -73.73 -15.62 61.21 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.183 177.54 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 75.2 mm-40 -63.26 -18.42 63.54 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.21 173.482 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 98.4 m-70 -108.92 -34.94 6.49 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.149 178.075 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 60.7 tp -73.05 -57.72 3.83 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.211 -178.761 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 71.8 t -65.08 -38.81 83.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.141 -178.651 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 68.7 tp60 -65.1 -40.7 94.95 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.196 179.332 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 89.1 tt0 -66.67 -40.16 88.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.214 176.476 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -74.49 -22.24 59.17 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.267 -179.077 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 85.68 31.88 20.14 Favored Glycine 0 CA--C 1.524 0.616 0 N-CA-C 111.233 -0.747 . . . . 0.0 111.233 174.571 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -95.01 -166.28 35.7 Favored Glycine 0 CA--C 1.523 0.556 0 N-CA-C 111.163 -0.775 . . . . 0.0 111.163 -179.758 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 95.8 mm-40 -122.53 154.61 37.65 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.805 0.336 . . . . 0.0 111.222 176.736 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 33.5 ptt-85 -155.54 133.97 11.72 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.215 -173.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -150.93 138.81 19.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.188 -176.894 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 87.2 p -72.76 164.02 27.2 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.215 -172.277 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 64.3 tt0 -130.63 129.52 42.79 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.121 179.142 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -95.16 75.6 3.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.238 -176.131 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 95.1 mt -75.01 129.58 82.74 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.182 174.719 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 87.9 Cg_exo -55.03 129.18 33.94 Favored 'Trans proline' 0 N--CA 1.458 -0.591 0 C-N-CA 121.754 1.636 . . . . 0.0 111.128 -174.873 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 96.4 mt -71.21 -38.06 68.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.238 174.279 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 99.3 m-20 -64.42 -37.38 87.31 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.229 -178.608 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 64.6 tt0 -85.68 -43.78 13.13 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.141 -174.697 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 97.5 m-85 -114.98 -44.33 3.04 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.222 -174.852 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 96.19 16.4 38.08 Favored Glycine 0 CA--C 1.522 0.504 0 N-CA-C 111.233 -0.747 . . . . 0.0 111.233 -177.701 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' CYS . . . . . 0.426 ' SG ' ' HB2' ' A' ' 81' ' ' ALA . 45.3 t -65.35 139.96 58.62 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.751 0.31 . . . . 0.0 111.221 -179.727 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -82.88 -164.73 36.1 Favored Glycine 0 CA--C 1.524 0.601 0 N-CA-C 111.156 -0.778 . . . . 0.0 111.156 -179.318 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 58.5 p-10 -95.68 11.94 31.57 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.792 0.329 . . . . 0.0 111.235 -174.352 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 81.2 p -88.48 -15.09 36.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.191 178.596 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.426 ' HB2' ' SG ' ' A' ' 77' ' ' CYS . . . -55.54 111.62 0.94 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.199 178.1 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 42.8 ttt180 -148.53 140.25 23.68 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.157 178.681 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . 0.421 ' HG2' HG12 ' A' ' 94' ' ' ILE . 78.5 mt-30 -96.93 144.35 26.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.174 177.946 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' TYR . . . . . 0.426 ' N ' ' O ' ' A' ' 93' ' ' VAL . 60.5 m-85 -129.72 92.07 3.26 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.14 -173.674 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 91.8 t -74.36 113.08 12.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.191 -175.007 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 91.0 mt -128.69 172.82 10.87 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.174 -172.946 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 85.2 mmm 70.01 33.13 2.84 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.218 177.479 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 96.5 m-20 64.89 35.06 8.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.18 -178.883 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 75.08 40.04 35.84 Favored Glycine 0 CA--C 1.524 0.61 0 N-CA-C 111.183 -0.767 . . . . 0.0 111.183 179.125 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -119.03 -20.0 8.25 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.826 0.346 . . . . 0.0 111.212 -178.693 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 50.0 tp -141.03 129.99 23.17 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.173 174.667 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -100.53 102.89 14.18 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.245 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . 0.426 ' O ' ' N ' ' A' ' 84' ' ' TYR . 89.2 t -89.64 124.99 42.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.225 177.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . 0.506 ' HB ' HG12 ' A' ' 43' ' ' ILE . 64.8 mt -122.47 134.92 64.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.203 -172.381 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -114.98 134.13 11.44 Favored Glycine 0 CA--C 1.524 0.625 0 N-CA-C 111.213 -0.755 . . . . 0.0 111.213 -173.308 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 70.6 m-85 -130.03 143.37 50.76 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.837 0.351 . . . . 0.0 111.197 166.904 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 60.0 t0 -94.96 82.79 3.86 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.216 169.464 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 5.6 m-30 -116.01 140.02 49.68 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.209 -166.361 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 59.6 p -76.31 -179.02 4.84 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.17 169.736 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 77.1 p -71.01 -14.3 62.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.269 178.136 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -92.86 -8.85 42.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.195 177.758 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 64.2 mtt -105.01 1.59 28.79 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.176 179.527 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' GLN . . . . . . . . . . . . . 95.0 mt-30 -62.32 -31.44 72.06 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.161 179.56 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' SER . . . . . 0.523 ' HA ' ' HG2' ' A' ' 107' ' ' ARG . 39.2 m -64.94 -24.84 67.64 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.209 -178.169 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 96.4 mt -63.08 -43.75 99.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.176 176.674 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 86.3 mt -74.54 -42.05 48.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.207 -175.073 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . 0.523 ' HG2' ' HA ' ' A' ' 104' ' ' SER . 24.9 ptt180 -70.33 -10.08 57.99 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.243 -175.67 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 97.0 m-20 -73.15 -17.61 61.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.137 169.453 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 109' ' ' TYR . . . . . . . . . . . . . 72.2 m-85 -112.3 -26.68 8.64 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.259 177.534 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . 0.515 ' HA ' ' HB3' ' A' ' 7' ' ' ALA . 75.2 m -90.54 157.5 17.5 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.201 -173.428 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 61.0 m-20 -105.01 -56.06 2.23 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.205 177.898 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . 0.441 ' HB2' HD23 ' A' ' 8' ' ' LEU . 8.8 mp -105.82 109.44 21.39 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.188 -174.544 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . 0.437 ' HA ' ' HB3' ' A' ' 9' ' ' PHE . 9.9 p -71.47 141.74 16.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.144 173.856 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 114' ' ' ILE . . . . . . . . . . . . . 89.8 mt -120.19 109.69 26.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.198 176.683 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 37.6 t -101.15 109.58 21.48 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.202 -178.11 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 116' ' ' HIS . . . . . 0.444 ' HB2' ' HA ' ' A' ' 12' ' ' CYS . 83.7 m-70 -82.39 143.66 31.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.171 -178.915 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . 55.05 54.5 8.84 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.179 171.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 118' ' ' GLY . . . . . . . . . . . . . . . 121.53 -171.03 14.91 Favored Glycine 0 CA--C 1.523 0.564 0 N-CA-C 111.244 -0.742 . . . . 0.0 111.244 174.12 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 41.3 p -107.14 36.51 2.66 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.791 0.329 . . . . 0.0 111.14 -172.382 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -58.75 -46.95 92.7 Favored Glycine 0 CA--C 1.523 0.59 0 N-CA-C 111.213 -0.755 . . . . 0.0 111.213 -174.859 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 9.8 m -105.01 24.95 11.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.817 0.342 . . . . 0.0 111.218 -175.225 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 122' ' ' ILE . . . . . 0.424 HD11 HG21 ' A' ' 158' ' ' VAL . 16.1 tt -65.19 -20.01 26.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.155 -179.281 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 92.0 mt -96.64 -8.97 30.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.221 -172.612 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 124' ' ' ASP . . . . . 0.4 ' HB2' HG21 ' A' ' 113' ' ' VAL . 89.1 m-20 -68.34 -46.58 69.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.199 -171.773 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 63.1 m -98.74 3.11 47.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.097 -179.541 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 66.3 tp -62.67 -52.67 62.41 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.208 176.941 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -66.75 -24.66 66.24 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.213 178.921 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 96.5 mt -77.06 -11.67 59.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.238 179.443 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 129' ' ' ASN . . . . . . . . . . . . . 77.5 m-20 66.6 34.91 5.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.237 -179.82 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 40.9 mmtm -113.06 155.76 43.82 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.164 -178.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 131' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_exo -54.94 138.06 77.19 Favored 'Trans proline' 0 N--CA 1.458 -0.613 0 C-N-CA 121.71 1.606 . . . . 0.0 111.233 178.578 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 132' ' ' LEU . . . . . 0.58 ' HB2' HG22 ' A' ' 158' ' ' VAL . 78.9 mt -102.82 130.69 49.9 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.163 -177.822 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 42.4 mm -108.94 118.53 56.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.219 176.392 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 76.9 t -124.9 124.95 68.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.194 179.82 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 135' ' ' CYS . . . . . 0.431 ' HB3' ' HA ' ' A' ' 116' ' ' HIS . 47.4 t -104.05 130.26 51.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.233 175.651 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 32.8 m -85.03 151.32 3.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.21 177.251 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 48.1 p30 -96.87 -168.46 1.71 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.24 -179.2 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 57.6 p-10 -103.45 12.24 35.46 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.233 -176.153 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 60.1 p -100.23 -29.95 12.17 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.203 176.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 83.2 mt -58.92 130.52 47.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.236 175.066 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 141' ' ' MET . . . . . . . . . . . . . 60.5 ttm -59.76 144.11 49.17 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.254 179.42 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 98.9 m-20 -49.87 -41.84 46.35 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.278 -176.146 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 99.1 m-20 -74.96 -30.0 61.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.273 179.271 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 144' ' ' HIS . . . . . . . . . . . . . 16.4 t-160 -71.2 -54.24 11.66 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.222 -178.789 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 145' ' ' GLN . . . . . . . . . . . . . 10.5 pt20 -66.02 -21.86 66.41 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.19 179.368 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 146' ' ' GLN . . . . . . . . . . . . . 72.1 tp60 -70.08 -45.06 67.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.22 172.373 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 147' ' ' GLN . . . . . . . . . . . . . 34.4 tt0 -58.35 -44.14 88.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.246 172.742 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 148' ' ' ILE . . . . . . . . . . . . . 94.1 mt -59.68 -46.38 93.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.237 -179.402 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -67.67 -40.27 84.44 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.177 177.386 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 92.5 m-20 -62.38 -34.2 76.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.258 178.677 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 151' ' ' LYS . . . . . 0.428 ' HD3' ' HA ' ' A' ' 151' ' ' LYS . 61.2 mmtt -80.1 -30.08 39.11 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.194 -178.895 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 152' ' ' PHE . . . . . . . . . . . . . 14.5 m-30 -59.93 -38.65 82.97 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.228 171.253 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 153' ' ' VAL . . . . . . . . . . . . . 79.1 t -68.46 -40.05 81.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.222 176.762 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 154' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -76.37 -19.63 57.98 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.145 176.642 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 155' ' ' LEU . . . . . . . . . . . . . 62.8 tp -80.22 -54.47 5.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.19 -177.107 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 156' ' ' GLY . . . . . 0.491 ' HA2' ' HB2' ' A' ' 180' ' ' LEU . . . 85.18 8.0 82.38 Favored Glycine 0 CA--C 1.523 0.544 0 N-CA-C 111.154 -0.778 . . . . 0.0 111.154 174.454 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 157' ' ' TYR . . . . . . . . . . . . . 98.9 m-85 -116.22 -25.0 7.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.794 0.33 . . . . 0.0 111.229 177.615 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 158' ' ' VAL . . . . . 0.58 HG22 ' HB2' ' A' ' 132' ' ' LEU . 57.6 t -119.95 140.03 45.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.217 -176.356 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 159' ' ' TRP . . . . . . . . . . . . . 16.9 m-90 -114.93 140.98 48.56 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.232 175.468 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 160' ' ' SER . . . . . . . . . . . . . 35.2 t -87.9 138.14 31.72 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.153 -172.444 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 161' ' ' CYS . . . . . 0.416 ' SG ' ' HA3' ' A' ' 171' ' ' GLY . 73.4 m -122.07 151.7 40.61 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.214 169.777 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 162' ' ' ALA . . . . . . . . . . . . . . . -88.64 155.68 50.64 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.218 177.17 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 163' ' ' PRO . . . . . . . . . . . . . 95.2 Cg_endo -77.0 65.04 7.81 Favored 'Trans proline' 0 N--CA 1.458 -0.573 0 C-N-CA 121.667 1.578 . . . . 0.0 111.169 -179.743 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 164' ' ' THR . . . . . . . . . . . . . 13.0 t -159.93 -179.13 7.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.203 176.647 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 165' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -62.92 -45.97 90.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.195 -173.17 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 166' ' ' THR . . . . . . . . . . . . . 71.6 p -89.8 -10.11 46.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.199 -174.165 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 167' ' ' GLY . . . . . . . . . . . . . . . -66.67 -43.34 92.21 Favored Glycine 0 CA--C 1.524 0.598 0 N-CA-C 111.193 -0.763 . . . . 0.0 111.193 -178.549 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 168' ' ' LEU . . . . . . . . . . . . . 42.9 tp -66.05 -50.48 64.01 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.858 0.361 . . . . 0.0 111.128 179.819 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 169' ' ' ILE . . . . . 0.408 HD12 ' HA ' ' A' ' 169' ' ' ILE . 8.6 tp -67.37 -23.69 30.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.212 -175.854 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 170' ' ' ALA . . . . . . . . . . . . . . . -69.74 -43.03 73.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.25 174.176 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 171' ' ' GLY . . . . . 0.416 ' HA3' ' SG ' ' A' ' 161' ' ' CYS . . . -71.64 -30.61 66.14 Favored Glycine 0 CA--C 1.522 0.513 0 N-CA-C 111.241 -0.743 . . . . 0.0 111.241 177.148 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 172' ' ' LEU . . . . . 0.401 HD13 HD21 ' A' ' 34' ' ' LEU . 81.6 mt -69.53 -34.52 74.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.753 0.311 . . . . 0.0 111.17 174.571 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 173' ' ' ARG . . . . . . . . . . . . . 37.1 ttm180 -66.71 -39.99 88.26 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.25 168.444 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 174' ' ' ALA . . . . . . . . . . . . . . . -65.02 -33.57 76.37 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.234 -176.687 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 175' ' ' SER . . . . . . . . . . . . . 47.4 p -64.89 -18.28 65.05 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.163 178.195 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 176' ' ' GLN . . . . . . . . . . . . . 93.5 mm-40 -106.63 -26.96 11.12 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.211 -176.36 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 177' ' ' THR . . . . . . . . . . . . . 79.3 p -115.04 -42.87 3.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.189 -171.254 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 178' ' ' GLU . . . . . . . . . . . . . 18.5 tp10 -84.95 107.86 17.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.259 -172.394 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 179' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -80.21 119.35 22.85 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.25 175.036 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 180' ' ' LEU . . . . . 0.491 ' HB2' ' HA2' ' A' ' 156' ' ' GLY . 74.0 mt -102.84 168.63 9.1 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.225 178.396 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 181' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -79.98 118.15 70.98 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.174 -175.03 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 182' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_exo -58.22 129.09 31.21 Favored 'Trans proline' 0 N--CA 1.458 -0.598 0 C-N-CA 121.706 1.604 . . . . 0.0 111.167 178.529 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 183' ' ' PHE . . . . . . . . . . . . . 9.6 t80 -71.87 139.99 83.28 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.259 172.693 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 184' ' ' PRO . . . . . . . . . . . . . 95.7 Cg_exo -50.93 -37.71 56.75 Favored 'Trans proline' 0 N--CA 1.459 -0.552 0 C-N-CA 121.699 1.599 . . . . 0.0 111.211 -176.705 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 185' ' ' VAL . . . . . . . . . . . . . 98.8 t -75.97 130.76 35.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.255 -178.909 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 186' ' ' SER . . . . . . . . . . . . . 84.2 p -116.99 5.09 12.81 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.201 178.504 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 187' ' ' HIS . . . . . . . . . . . . . 96.2 m-70 -90.06 120.45 31.26 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.195 -177.673 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 188' ' ' ASN . . . . . 0.536 ' HB2' ' HD3' ' A' ' 189' ' ' PRO . 98.5 m-20 -64.92 -44.58 72.48 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.207 178.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 189' ' ' PRO . . . . . 0.536 ' HD3' ' HB2' ' A' ' 188' ' ' ASN . 73.2 Cg_exo -53.95 -34.89 78.5 Favored 'Trans proline' 0 N--CA 1.458 -0.572 0 C-N-CA 121.628 1.552 . . . . 0.0 111.24 179.518 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 190' ' ' SER . . . . . . . . . . . . . 74.6 m -70.56 -38.81 74.19 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.217 177.827 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 191' ' ' PHE . . . . . 0.472 ' HA ' ' HB3' ' A' ' 194' ' ' LEU . 22.3 m-85 -71.71 -15.81 62.21 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.26 -175.264 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 192' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -60.1 -25.39 65.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.187 -179.628 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 193' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -123.84 -28.65 3.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.163 175.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 194' ' ' LEU . . . . . 0.472 ' HB3' ' HA ' ' A' ' 191' ' ' PHE . 59.5 tp -65.13 -37.49 87.6 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.193 -176.504 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 195' ' ' LEU . . . . . . . . . . . . . 48.2 mt -51.63 -54.02 32.34 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.186 -178.695 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 196' ' ' VAL . . . . . . . . . . . . . 68.6 t -63.09 -39.72 86.31 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.151 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 197' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -58.27 -43.91 88.16 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.165 -178.017 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 198' ' ' THR . . . . . . . . . . . . . 82.8 p -90.1 -31.26 17.2 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.182 -172.069 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 199' ' ' ILE . . . . . . . . . . . . . 92.2 mt -71.11 -50.62 40.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.248 178.647 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 200' ' ' TYR . . . . . . . . . . . . . 91.4 m-85 -99.86 25.12 7.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.162 -176.325 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 201' ' ' SER . . . . . . . . . . . . . 42.2 t . . . . . 0 C--O 1.2 -1.535 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.243 177.792 . . . . . . . . 0 0 . 1 stop_ save_