data_6u6q_residue ############################ # Computer software used # ############################ 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 6u6q _Structure_validation_residue.Date_analyzed 2020-07-03 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 ' 20' ' ' ASP . . . . . . . . . . . . . 92.6 m-20 . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.831 0.348 . . . . 0.0 111.216 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 72.3 ttt180 -96.68 124.33 40.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.196 -179.86 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 55.8 tp -112.65 113.82 26.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.146 -179.107 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 46.3 tt0 -117.87 125.41 50.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.168 -178.446 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 69.9 mt -131.18 119.14 43.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.203 -178.105 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 89.6 mt -116.26 123.78 71.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.19 -177.299 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 4.8 mp -111.51 120.1 61.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.21 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -120.19 125.75 48.96 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.185 -175.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . 0.41 ' O ' ' HA ' ' A' ' 72' ' ' MET . 58.3 tt0 -108.23 102.33 11.47 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.22 171.772 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . 0.401 ' HG2' ' HG3' ' A' ' 30' ' ' ARG . 86.2 tt0 -88.27 134.37 33.82 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.22 -172.532 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . 0.401 ' HG3' ' HG2' ' A' ' 29' ' ' GLU . 99.5 mtt180 . . . . . 0 C--N 1.33 -0.253 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.234 -176.162 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 40.3 p90 . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.825 0.345 . . . . 0.0 111.197 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.571 ' N ' ' CD ' ' A' ' 41' ' ' PRO . 78.1 mt -70.27 -42.08 15.28 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.175 -177.822 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . 0.571 ' CD ' ' N ' ' A' ' 40' ' ' LEU . 95.2 Cg_exo -51.1 -38.37 59.92 Favored 'Trans proline' 0 N--CA 1.457 -0.627 0 C-N-CA 121.759 1.639 . . . . 0.0 111.204 177.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 96.0 m -72.4 -42.47 65.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.153 177.422 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.433 ' O ' ' HG ' ' A' ' 47' ' ' LEU . 79.7 mt -62.86 -35.25 79.37 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.187 178.168 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 98.6 mtt180 -57.92 -45.86 85.87 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.23 177.454 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -66.78 -32.88 74.45 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.181 174.237 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . . . -70.22 -31.93 69.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.209 -176.776 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.433 ' HG ' ' O ' ' A' ' 43' ' ' LEU . 79.3 mt -95.06 -32.72 12.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.24 -174.408 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 99.1 mtp -83.37 -51.23 7.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.233 -178.37 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 99.5 mt-10 -93.63 -50.85 5.2 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.186 -170.783 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 73.6 t -71.13 -53.12 22.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.279 -167.14 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 68.3 mt -64.77 -36.69 85.13 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.243 -179.767 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 36.6 t -53.35 -40.19 64.72 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.224 -179.832 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -69.75 -24.47 63.54 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.243 -177.48 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 20.2 m-85 -82.73 -31.69 28.31 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.234 -176.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 35.7 m -109.08 -6.83 11.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.15 -177.692 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 87.2 m-20 56.85 47.3 18.19 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.171 178.748 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 83.8 t -119.22 137.28 53.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.188 -179.691 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 83.6 p -77.76 159.21 29.21 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.236 -174.248 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 93.7 mt -67.69 -18.24 64.85 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.201 177.609 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -70.7 -35.61 72.85 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.187 172.254 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 90.0 m-20 -91.52 7.18 42.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.187 178.794 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . 0.427 HG12 HG12 ' A' ' 79' ' ' ILE . 97.4 mt -113.69 127.58 70.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.178 176.095 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 79.7 ttt180 -102.41 123.11 45.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.221 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 91.6 mt -126.17 125.27 67.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.168 178.286 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 43.8 t -135.39 107.62 7.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.187 -177.879 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 64.6 tt0 -94.8 121.33 36.27 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.145 172.55 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 87.5 tt0 -143.56 131.25 21.31 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.185 -175.73 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 86.2 tttt -101.9 115.73 31.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.208 -179.597 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 80.6 mm-40 -120.98 147.86 44.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.231 172.28 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 77.6 m-20 47.81 -118.39 0.95 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.217 -170.025 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -112.12 12.15 26.64 Favored Glycine 0 CA--C 1.523 0.551 0 N-CA-C 111.242 -0.743 . . . . 0.0 111.242 175.286 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' MET . . . . . 0.41 ' HA ' ' O ' ' A' ' 28' ' ' GLN . 60.5 ttm -107.24 126.93 53.05 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.87 0.367 . . . . 0.0 111.202 -177.586 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 65.2 t0 -96.82 114.7 26.35 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.251 172.168 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 93.8 t -107.82 125.78 64.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.202 -174.275 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 65.6 tp -113.78 110.06 19.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.202 174.519 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 75.1 tt0 -101.68 127.96 48.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.208 -173.054 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 41.2 tp -114.38 129.65 56.66 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.173 176.442 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 69.9 m-80 -128.8 106.18 8.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.207 171.158 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . 0.427 HG12 HG12 ' A' ' 62' ' ' ILE . 69.3 mt -102.62 115.13 44.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.198 177.045 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 71.5 p -123.13 163.46 20.52 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.205 -177.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 54.4 tp . . . . . 0 C--O 1.2 -1.508 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.178 -179.332 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 92.6 m-20 . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.831 0.348 . . . . 0.0 111.216 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' B' B ' 21' ' ' ARG . . . . . . . . . . . . . 72.3 ttt180 -96.68 124.33 40.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.196 -179.86 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 55.8 tp -112.65 113.82 26.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.146 -179.107 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 46.3 tt0 -117.87 125.41 50.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.168 -178.446 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 24' ' ' ILE . . . . . . . . . . . . . 69.9 mt -131.18 119.14 43.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.203 -178.105 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 25' ' ' ILE . . . . . . . . . . . . . 89.6 mt -116.26 123.78 71.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.19 -177.299 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 4.8 mp -111.51 120.1 61.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.21 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -120.19 125.75 48.96 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.185 -175.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 28' ' ' GLN . . . . . 0.409 ' O ' ' HA ' ' B' ' 72' ' ' MET . 58.3 tt0 -108.23 102.33 11.47 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.22 171.772 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 86.2 tt0 -88.27 134.37 33.82 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.22 -172.532 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 . . . . . 0 C--N 1.33 -0.253 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.234 -176.162 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' B' B ' 39' ' ' TYR . . . . . . . . . . . . . 40.3 p90 . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.825 0.345 . . . . 0.0 111.197 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' B' B ' 40' ' ' LEU . . . . . 0.57 ' N ' ' CD ' ' B' ' 41' ' ' PRO . 78.1 mt -70.27 -42.08 15.28 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.175 -177.822 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 41' ' ' PRO . . . . . 0.57 ' CD ' ' N ' ' B' ' 40' ' ' LEU . 95.2 Cg_exo -51.1 -38.37 59.92 Favored 'Trans proline' 0 N--CA 1.457 -0.627 0 C-N-CA 121.759 1.639 . . . . 0.0 111.204 177.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 96.0 m -72.4 -42.47 65.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.153 177.422 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 43' ' ' LEU . . . . . 0.433 ' O ' ' HG ' ' B' ' 47' ' ' LEU . 79.7 mt -62.86 -35.25 79.37 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.187 178.168 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 44' ' ' ARG . . . . . . . . . . . . . 98.6 mtt180 -57.92 -45.86 85.87 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.23 177.454 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 45' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -66.78 -32.88 74.45 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.181 174.237 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . . . -70.22 -31.93 69.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.209 -176.776 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 47' ' ' LEU . . . . . 0.433 ' HG ' ' O ' ' B' ' 43' ' ' LEU . 79.3 mt -95.06 -32.72 12.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.24 -174.408 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 48' ' ' MET . . . . . . . . . . . . . 99.1 mtp -83.37 -51.23 7.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.233 -178.37 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 99.5 mt-10 -93.63 -50.85 5.2 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.186 -170.783 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 50' ' ' VAL . . . . . . . . . . . . . 73.6 t -71.13 -53.12 22.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.279 -167.14 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 68.3 mt -64.77 -36.69 85.13 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.243 -179.767 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 36.6 t -53.35 -40.19 64.72 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.224 -179.832 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -69.75 -24.47 63.54 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.243 -177.48 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 20.2 m-85 -82.73 -31.69 28.31 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.234 -176.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 55' ' ' VAL . . . . . . . . . . . . . 35.7 m -109.08 -6.83 11.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.15 -177.692 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 56' ' ' ASN . . . . . . . . . . . . . 87.2 m-20 56.85 47.3 18.19 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.171 178.748 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 83.8 t -119.22 137.28 53.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.188 -179.691 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 58' ' ' SER . . . . . . . . . . . . . 83.6 p -77.76 159.21 29.21 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.236 -174.248 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 93.7 mt -67.69 -18.24 64.85 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.201 177.609 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -70.7 -35.61 72.85 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.187 172.254 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 61' ' ' ASN . . . . . . . . . . . . . 90.0 m-20 -91.52 7.18 42.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.187 178.794 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 62' ' ' ILE . . . . . 0.431 HG12 HG12 ' B' ' 79' ' ' ILE . 97.4 mt -113.69 127.58 70.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.178 176.095 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 63' ' ' ARG . . . . . . . . . . . . . 79.7 ttt180 -102.41 123.11 45.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.221 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 64' ' ' ILE . . . . . . . . . . . . . 91.6 mt -126.17 125.27 67.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.168 178.286 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 43.8 t -135.39 107.62 7.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.187 -177.879 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 64.6 tt0 -94.8 121.33 36.27 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.145 172.55 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 87.5 tt0 -143.56 131.25 21.31 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.185 -175.73 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 68' ' ' LYS . . . . . . . . . . . . . 86.2 tttt -101.9 115.73 31.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.208 -179.597 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 69' ' ' GLN . . . . . . . . . . . . . 80.6 mm-40 -120.98 147.86 44.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.231 172.28 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 77.6 m-20 47.81 -118.39 0.95 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.217 -170.025 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 71' ' ' GLY . . . . . . . . . . . . . . . -112.12 12.15 26.64 Favored Glycine 0 CA--C 1.523 0.551 0 N-CA-C 111.242 -0.743 . . . . 0.0 111.242 175.286 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 72' ' ' MET . . . . . 0.409 ' HA ' ' O ' ' B' ' 28' ' ' GLN . 60.5 ttm -107.24 126.93 53.05 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.87 0.367 . . . . 0.0 111.202 -177.586 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 73' ' ' ASP . . . . . . . . . . . . . 65.2 t0 -96.82 114.7 26.35 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.251 172.168 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 74' ' ' VAL . . . . . . . . . . . . . 93.8 t -107.82 125.78 64.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.202 -174.275 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 75' ' ' LEU . . . . . . . . . . . . . 65.6 tp -113.78 110.06 19.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.202 174.519 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 75.1 tt0 -101.68 127.96 48.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.208 -173.054 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 41.2 tp -114.38 129.65 56.66 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.173 176.442 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 78' ' ' ASN . . . . . . . . . . . . . 69.9 m-80 -128.8 106.18 8.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.207 171.158 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 79' ' ' ILE . . . . . 0.431 HG12 HG12 ' B' ' 62' ' ' ILE . 69.3 mt -102.62 115.13 44.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.198 177.045 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 80' ' ' THR . . . . . . . . . . . . . 71.5 p -123.13 163.46 20.52 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.205 -177.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 54.4 tp . . . . . 0 C--O 1.2 -1.508 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.178 -179.332 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 6.0 t0 . . . . . 0 C--O 1.232 0.15 0 CA-C-O 120.783 0.325 . . . . 0.0 111.197 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 62.1 ttp180 -155.06 134.77 12.76 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.197 178.876 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.406 ' HB2' ' HB ' ' A' ' 79' ' ' ILE . 65.8 mt -117.09 150.1 39.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.184 176.273 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 37.3 tt0 -143.26 122.82 13.23 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.231 177.739 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 87.6 mt -123.73 125.14 70.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.19 178.854 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 47.6 mm -111.15 117.71 55.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.183 177.442 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 87.2 mt -110.95 107.08 22.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.21 179.037 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -101.29 115.59 30.85 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.155 -176.643 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 62.0 tt0 -109.06 104.21 13.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.211 176.741 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 89.6 mt-10 -73.3 133.24 43.83 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.178 178.327 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 75.5 mtp85 . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.181 -176.513 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 65.1 m-85 . . . . . 0 C--O 1.23 0.066 0 CA-C-O 120.814 0.34 . . . . 0.0 111.241 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.634 ' N ' ' CD ' ' A' ' 41' ' ' PRO . 94.5 mt -69.22 -37.97 9.83 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.203 -168.395 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . 0.634 ' CD ' ' N ' ' A' ' 40' ' ' LEU . 98.9 Cg_exo -53.53 -31.93 61.24 Favored 'Trans proline' 0 N--CA 1.459 -0.557 0 C-N-CA 121.687 1.592 . . . . 0.0 111.182 -179.385 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 65.0 p -92.55 -28.65 16.63 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.21 -178.819 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 91.7 mt -75.87 -30.67 58.95 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.181 -178.042 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 35.0 ptt180 -65.65 -21.24 66.54 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.227 175.878 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -98.64 -38.5 9.1 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.192 178.268 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . . . -55.2 -62.55 1.59 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.128 -177.469 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 87.5 mt -63.19 -42.59 99.35 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.14 -176.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 36.2 mmt -75.74 -35.28 60.24 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.216 -166.72 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -74.42 -37.42 63.34 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.209 -179.747 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 71.3 t -72.34 -48.14 49.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.197 178.464 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.428 ' O ' HG22 ' A' ' 55' ' ' VAL . 87.8 mt -66.69 -30.62 70.91 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.183 -179.264 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 37.8 t -47.47 -45.74 26.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.2 -178.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -78.11 -14.63 59.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.192 -176.792 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 21.9 m-30 -90.56 -32.47 16.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.182 179.202 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.428 HG22 ' O ' ' A' ' 51' ' ' LEU . 23.1 m -100.63 -12.24 8.54 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.228 -178.443 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 82.3 m-20 65.14 46.06 2.83 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.18 179.559 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 96.8 t -129.52 136.66 58.76 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.228 -179.135 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 31.4 t -71.8 147.58 47.11 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.21 -175.408 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 94.1 mt -60.55 -27.85 67.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.145 175.814 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -67.7 -36.04 79.92 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.151 175.78 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 98.2 m-20 -76.2 -27.32 56.82 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.154 178.033 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 96.6 mt -75.5 133.95 30.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.226 179.197 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 79.6 ttt180 -100.13 123.91 44.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.207 -174.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 85.1 mt -120.56 118.49 56.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.225 179.132 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 43.9 t -135.15 104.04 5.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.178 -178.162 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 59.7 tt0 -94.53 135.63 35.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.144 171.576 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -141.55 132.36 25.8 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.215 -176.867 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -77.68 135.01 38.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.213 175.703 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 71.1 tp60 -133.52 112.98 11.96 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.153 178.065 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 80.6 m-20 58.14 -106.84 0.33 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.228 -176.565 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -121.05 40.11 2.22 Favored Glycine 0 CA--C 1.523 0.58 0 N-CA-C 111.207 -0.757 . . . . 0.0 111.207 178.651 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 28.5 ptm -155.06 166.45 33.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.774 0.321 . . . . 0.0 111.227 176.593 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 86.9 m-20 -118.99 138.09 53.06 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.189 179.57 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 95.8 t -123.36 132.09 72.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.2 179.514 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 56.6 tp -112.01 123.23 49.8 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.239 -178.164 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 79.2 tt0 -107.6 120.23 41.62 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.173 179.635 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 55.9 mt -120.15 109.31 15.29 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.196 -176.624 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 79.1 m-20 -111.63 131.15 55.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.192 -178.36 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . 0.406 ' HB ' ' HB2' ' A' ' 22' ' ' LEU . 79.9 mt -117.75 125.37 74.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.192 175.845 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 98.0 m -101.98 120.95 41.23 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.223 177.251 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 6.8 mp . . . . . 0 C--O 1.199 -1.577 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.17 -178.41 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 6.0 t0 . . . . . 0 C--O 1.232 0.15 0 CA-C-O 120.783 0.325 . . . . 0.0 111.197 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' B' B ' 21' ' ' ARG . . . . . . . . . . . . . 62.1 ttp180 -155.06 134.77 12.76 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.197 178.876 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 22' ' ' LEU . . . . . 0.402 ' HB2' ' HB ' ' B' ' 79' ' ' ILE . 65.8 mt -117.09 150.1 39.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.184 176.273 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 37.3 tt0 -143.26 122.82 13.23 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.231 177.739 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 24' ' ' ILE . . . . . . . . . . . . . 87.6 mt -123.73 125.14 70.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.19 178.854 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 25' ' ' ILE . . . . . . . . . . . . . 47.6 mm -111.15 117.71 55.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.183 177.442 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 87.2 mt -110.95 107.08 22.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.21 179.037 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -101.29 115.59 30.85 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.155 -176.643 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 28' ' ' GLN . . . . . . . . . . . . . 62.0 tt0 -109.06 104.21 13.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.211 176.741 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 89.6 mt-10 -73.3 133.24 43.83 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.178 178.327 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 75.5 mtp85 . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.181 -176.513 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' B' B ' 39' ' ' TYR . . . . . . . . . . . . . 65.1 m-85 . . . . . 0 C--O 1.23 0.066 0 CA-C-O 120.814 0.34 . . . . 0.0 111.241 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' B' B ' 40' ' ' LEU . . . . . 0.635 ' N ' ' CD ' ' B' ' 41' ' ' PRO . 94.5 mt -69.22 -37.97 9.83 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.203 -168.395 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 41' ' ' PRO . . . . . 0.635 ' CD ' ' N ' ' B' ' 40' ' ' LEU . 98.9 Cg_exo -53.53 -31.93 61.24 Favored 'Trans proline' 0 N--CA 1.459 -0.557 0 C-N-CA 121.687 1.592 . . . . 0.0 111.182 -179.385 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 65.0 p -92.55 -28.65 16.63 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.21 -178.819 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 91.7 mt -75.87 -30.67 58.95 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.181 -178.042 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 44' ' ' ARG . . . . . . . . . . . . . 35.0 ptt180 -65.65 -21.24 66.54 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.227 175.878 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 45' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -98.64 -38.5 9.1 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.192 178.268 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . . . -55.2 -62.55 1.59 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.128 -177.469 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 87.5 mt -63.19 -42.59 99.35 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.14 -176.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 48' ' ' MET . . . . . . . . . . . . . 36.2 mmt -75.74 -35.28 60.24 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.216 -166.72 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -74.42 -37.42 63.34 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.209 -179.747 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 50' ' ' VAL . . . . . . . . . . . . . 71.3 t -72.34 -48.14 49.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.197 178.464 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 51' ' ' LEU . . . . . 0.413 ' O ' HG22 ' B' ' 55' ' ' VAL . 87.8 mt -66.69 -30.62 70.91 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.183 -179.264 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 37.8 t -47.47 -45.74 26.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.2 -178.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -78.11 -14.63 59.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.192 -176.792 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 21.9 m-30 -90.56 -32.47 16.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.182 179.202 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 55' ' ' VAL . . . . . 0.413 HG22 ' O ' ' B' ' 51' ' ' LEU . 23.1 m -100.63 -12.24 8.54 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.228 -178.443 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 56' ' ' ASN . . . . . . . . . . . . . 82.3 m-20 65.14 46.06 2.83 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.18 179.559 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 96.8 t -129.52 136.66 58.76 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.228 -179.135 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 58' ' ' SER . . . . . . . . . . . . . 31.4 t -71.8 147.58 47.11 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.21 -175.408 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 94.1 mt -60.55 -27.85 67.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.145 175.814 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -67.7 -36.04 79.92 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.151 175.78 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 61' ' ' ASN . . . . . . . . . . . . . 98.2 m-20 -76.2 -27.32 56.82 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.154 178.033 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 62' ' ' ILE . . . . . . . . . . . . . 96.6 mt -75.5 133.95 30.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.226 179.197 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 63' ' ' ARG . . . . . . . . . . . . . 79.6 ttt180 -100.13 123.91 44.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.207 -174.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 64' ' ' ILE . . . . . . . . . . . . . 85.1 mt -120.56 118.49 56.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.225 179.132 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 43.9 t -135.15 104.04 5.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.178 -178.162 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 59.7 tt0 -94.53 135.63 35.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.144 171.576 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -141.55 132.36 25.8 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.215 -176.867 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 68' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -77.68 135.01 38.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.213 175.703 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 69' ' ' GLN . . . . . . . . . . . . . 71.1 tp60 -133.52 112.98 11.96 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.153 178.065 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 80.6 m-20 58.14 -106.84 0.33 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.228 -176.565 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 71' ' ' GLY . . . . . . . . . . . . . . . -121.05 40.11 2.22 Favored Glycine 0 CA--C 1.523 0.58 0 N-CA-C 111.207 -0.757 . . . . 0.0 111.207 178.651 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 72' ' ' MET . . . . . . . . . . . . . 28.5 ptm -155.06 166.45 33.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.774 0.321 . . . . 0.0 111.227 176.593 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 73' ' ' ASP . . . . . . . . . . . . . 86.9 m-20 -118.99 138.09 53.06 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.189 179.57 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 74' ' ' VAL . . . . . . . . . . . . . 95.8 t -123.36 132.09 72.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.2 179.514 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 75' ' ' LEU . . . . . . . . . . . . . 56.6 tp -112.01 123.23 49.8 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.239 -178.164 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 79.2 tt0 -107.6 120.23 41.62 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.173 179.635 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 55.9 mt -120.15 109.31 15.29 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.196 -176.624 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 78' ' ' ASN . . . . . . . . . . . . . 79.1 m-20 -111.63 131.15 55.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.192 -178.36 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 79' ' ' ILE . . . . . 0.402 ' HB ' ' HB2' ' B' ' 22' ' ' LEU . 79.9 mt -117.75 125.37 74.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.192 175.845 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 80' ' ' THR . . . . . . . . . . . . . 98.0 m -101.98 120.95 41.23 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.223 177.251 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 6.8 mp . . . . . 0 C--O 1.199 -1.577 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.17 -178.41 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 50.3 t0 . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.754 0.312 . . . . 0.0 111.186 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 82.8 mtm180 -114.76 157.39 23.29 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.254 177.27 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 72.3 mt -115.9 149.59 38.44 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.206 179.75 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 42.4 tt0 -142.28 114.83 8.48 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.179 175.633 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.407 ' HA ' ' O ' ' B' ' 25' ' ' ILE . 5.3 mp -121.82 115.48 46.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.198 -178.277 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 85.0 mt -102.88 120.8 53.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.219 -174.624 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 71.0 mt -102.85 117.84 48.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.23 -178.212 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -111.72 120.44 42.02 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.189 -178.349 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 41.2 tt0 -105.68 117.93 35.29 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.182 170.517 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 64.5 tt0 -75.16 132.77 41.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.182 172.893 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 83.9 mtp180 . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.239 -175.967 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 68.9 m-85 . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.842 0.353 . . . . 0.0 111.207 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.581 ' HB3' ' HD3' ' A' ' 41' ' ' PRO . 9.9 tt -57.5 -45.05 99.9 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.22 -175.071 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . 0.581 ' HD3' ' HB3' ' A' ' 40' ' ' LEU . 98.2 Cg_exo -52.44 -49.2 18.25 Favored 'Trans proline' 0 N--CA 1.458 -0.614 0 C-N-CA 121.731 1.621 . . . . 0.0 111.188 179.245 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 81.7 p -79.17 -27.88 42.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.179 -175.541 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 81.9 mt -71.75 -44.48 63.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.217 175.907 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 57.7 ttp180 -53.51 -51.09 63.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.239 178.351 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -47.89 -52.58 18.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.195 176.614 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . . . -78.6 -38.8 39.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.203 -171.501 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.456 HD22 HD22 ' B' ' 47' ' ' LEU . 90.5 mt -69.13 -37.78 78.5 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.165 -174.055 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 94.5 mtp -62.05 -40.43 95.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.195 177.009 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -61.47 -29.5 70.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.259 177.224 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 73.2 t -79.88 -41.09 21.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.218 175.899 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 88.5 mt -63.97 -35.2 79.9 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.222 -177.877 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 85.2 p -81.12 -18.65 45.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.216 -177.053 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -66.6 -48.33 69.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.202 -175.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 94.6 m-85 -88.86 3.21 52.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.202 -166.861 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 35.6 m -130.33 -3.0 2.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.163 176.615 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 87.0 m-20 57.32 61.1 2.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.146 174.784 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 29.0 m -127.49 168.01 21.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.196 173.853 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 85.3 p -77.97 167.71 21.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.166 172.545 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 99.0 mt -83.16 -13.2 56.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.178 174.828 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 97.7 m-20 -77.41 -35.2 54.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.157 174.809 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 96.6 m-20 -61.12 -33.67 73.75 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.204 175.182 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 91.9 mt -70.92 130.13 34.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.181 177.824 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 79.8 ttt180 -106.22 125.61 51.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.182 -173.732 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 49.2 pt -97.36 148.12 5.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.159 179.087 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 35.4 t -144.96 87.0 1.81 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.225 176.212 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 66.0 tt0 -77.24 131.3 38.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.168 179.754 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -136.48 140.7 43.26 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.183 -178.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -92.87 99.4 12.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.156 179.575 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 97.2 mm-40 -86.86 61.72 6.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.208 179.235 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 90.8 m-20 62.78 -102.7 0.11 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.228 178.729 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -92.52 9.77 75.31 Favored Glycine 0 CA--C 1.523 0.561 0 N-CA-C 111.164 -0.774 . . . . 0.0 111.164 -179.424 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 90.4 mtp -126.44 170.28 12.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.788 0.327 . . . . 0.0 111.208 174.006 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 65.0 t0 -142.49 118.17 10.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.195 176.483 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 23.8 m -115.81 164.23 12.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.179 -175.001 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 10.3 tt -151.56 121.03 6.87 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.192 175.27 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -91.17 135.67 33.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.166 -176.741 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 89.9 mt -112.44 119.3 37.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.162 176.267 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 71.5 m-80 -112.26 125.3 54.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.177 -179.909 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 4.5 mp -119.93 118.94 58.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.216 179.699 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 96.9 m -106.29 132.09 52.75 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.165 177.816 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 66.0 mt . . . . . 0 C--O 1.199 -1.579 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.211 -172.868 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 50.3 t0 . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.754 0.312 . . . . 0.0 111.186 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' B' B ' 21' ' ' ARG . . . . . . . . . . . . . 82.8 mtm180 -114.76 157.39 23.29 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.254 177.27 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 72.3 mt -115.9 149.59 38.44 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.206 179.75 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 42.4 tt0 -142.28 114.83 8.48 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.179 175.633 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 24' ' ' ILE . . . . . . . . . . . . . 5.3 mp -121.82 115.48 46.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.198 -178.277 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 25' ' ' ILE . . . . . 0.407 ' O ' ' HA ' ' A' ' 24' ' ' ILE . 85.0 mt -102.88 120.8 53.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.219 -174.624 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 71.0 mt -102.85 117.84 48.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.23 -178.212 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -111.72 120.44 42.02 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.189 -178.349 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 28' ' ' GLN . . . . . . . . . . . . . 41.2 tt0 -105.68 117.93 35.29 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.182 170.517 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 64.5 tt0 -75.16 132.77 41.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.182 172.893 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 83.9 mtp180 . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.239 -175.967 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' B' B ' 39' ' ' TYR . . . . . . . . . . . . . 68.9 m-85 . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.842 0.353 . . . . 0.0 111.207 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' B' B ' 40' ' ' LEU . . . . . 0.583 ' HB3' ' HD3' ' B' ' 41' ' ' PRO . 9.9 tt -57.5 -45.05 99.9 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.22 -175.071 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 41' ' ' PRO . . . . . 0.583 ' HD3' ' HB3' ' B' ' 40' ' ' LEU . 98.2 Cg_exo -52.44 -49.2 18.25 Favored 'Trans proline' 0 N--CA 1.458 -0.614 0 C-N-CA 121.731 1.621 . . . . 0.0 111.188 179.245 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 81.7 p -79.17 -27.88 42.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.179 -175.541 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 81.9 mt -71.75 -44.48 63.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.217 175.907 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 44' ' ' ARG . . . . . . . . . . . . . 57.7 ttp180 -53.51 -51.09 63.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.239 178.351 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 45' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -47.89 -52.58 18.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.195 176.614 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . . . -78.6 -38.8 39.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.203 -171.501 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 47' ' ' LEU . . . . . 0.456 HD22 HD22 ' A' ' 47' ' ' LEU . 90.5 mt -69.13 -37.78 78.5 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.165 -174.055 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 48' ' ' MET . . . . . . . . . . . . . 94.5 mtp -62.05 -40.43 95.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.195 177.009 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -61.47 -29.5 70.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.259 177.224 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 50' ' ' VAL . . . . . . . . . . . . . 73.2 t -79.88 -41.09 21.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.218 175.899 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 88.5 mt -63.97 -35.2 79.9 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.222 -177.877 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 85.2 p -81.12 -18.65 45.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.216 -177.053 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -66.6 -48.33 69.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.202 -175.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 94.6 m-85 -88.86 3.21 52.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.202 -166.861 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 55' ' ' VAL . . . . . . . . . . . . . 35.6 m -130.33 -3.0 2.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.163 176.615 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 56' ' ' ASN . . . . . . . . . . . . . 87.0 m-20 57.32 61.1 2.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.146 174.784 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 29.0 m -127.49 168.01 21.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.196 173.853 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 58' ' ' SER . . . . . . . . . . . . . 85.3 p -77.97 167.71 21.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.166 172.545 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 99.0 mt -83.16 -13.2 56.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.178 174.828 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 97.7 m-20 -77.41 -35.2 54.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.157 174.809 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 61' ' ' ASN . . . . . . . . . . . . . 96.6 m-20 -61.12 -33.67 73.75 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.204 175.182 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 62' ' ' ILE . . . . . . . . . . . . . 91.9 mt -70.92 130.13 34.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.181 177.824 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 63' ' ' ARG . . . . . . . . . . . . . 79.8 ttt180 -106.22 125.61 51.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.182 -173.732 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 64' ' ' ILE . . . . . . . . . . . . . 49.2 pt -97.36 148.12 5.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.159 179.087 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 35.4 t -144.96 87.0 1.81 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.225 176.212 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 66.0 tt0 -77.24 131.3 38.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.168 179.754 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -136.48 140.7 43.26 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.183 -178.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 68' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -92.87 99.4 12.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.156 179.575 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 69' ' ' GLN . . . . . . . . . . . . . 97.2 mm-40 -86.86 61.72 6.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.208 179.235 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 90.8 m-20 62.78 -102.7 0.11 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.228 178.729 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 71' ' ' GLY . . . . . . . . . . . . . . . -92.52 9.77 75.31 Favored Glycine 0 CA--C 1.523 0.561 0 N-CA-C 111.164 -0.774 . . . . 0.0 111.164 -179.424 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 72' ' ' MET . . . . . . . . . . . . . 90.4 mtp -126.44 170.28 12.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.788 0.327 . . . . 0.0 111.208 174.006 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 73' ' ' ASP . . . . . . . . . . . . . 65.0 t0 -142.49 118.17 10.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.195 176.483 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 74' ' ' VAL . . . . . . . . . . . . . 23.8 m -115.81 164.23 12.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.179 -175.001 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 75' ' ' LEU . . . . . . . . . . . . . 10.3 tt -151.56 121.03 6.87 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.192 175.27 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -91.17 135.67 33.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.166 -176.741 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 89.9 mt -112.44 119.3 37.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.162 176.267 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 78' ' ' ASN . . . . . . . . . . . . . 71.5 m-80 -112.26 125.3 54.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.177 -179.909 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 79' ' ' ILE . . . . . . . . . . . . . 4.5 mp -119.93 118.94 58.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.216 179.699 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 80' ' ' THR . . . . . . . . . . . . . 96.9 m -106.29 132.09 52.75 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.165 177.816 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 66.0 mt . . . . . 0 C--O 1.199 -1.579 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.211 -172.868 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 46.8 t0 . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.78 0.324 . . . . 0.0 111.259 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 41.1 ptt180 -141.61 154.35 45.35 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.177 178.812 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 88.6 mt -109.31 137.73 46.74 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.217 177.822 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 66.9 tt0 -124.67 110.46 14.42 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.202 174.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.484 ' HB ' ' HB2' ' A' ' 77' ' ' LEU . 76.0 mt -113.0 115.46 49.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.196 -178.731 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 46.0 mm -109.78 117.39 54.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.232 -177.834 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.403 ' HB ' ' HB2' ' A' ' 75' ' ' LEU . 74.1 mt -108.44 106.46 20.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.209 -178.654 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -114.5 109.63 18.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.21 -172.488 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 66.7 tt0 -86.47 121.14 28.61 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.198 171.371 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . 0.427 ' HG2' ' HG3' ' A' ' 30' ' ' ARG . 88.5 tt0 -110.27 129.03 55.81 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.183 -177.92 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . 0.427 ' HG3' ' HG2' ' A' ' 29' ' ' GLU . 99.8 mtt180 . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.253 -179.491 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . 0.456 ' CD2' ' N ' ' A' ' 39' ' ' TYR . 1.8 p90 . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.836 0.351 . . . . 0.0 111.199 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.544 ' N ' ' CD ' ' A' ' 41' ' ' PRO . 86.7 mt -91.12 -43.22 0.39 Allowed Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.227 177.869 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . 0.544 ' CD ' ' N ' ' A' ' 40' ' ' LEU . 90.9 Cg_exo -51.56 -38.64 65.31 Favored 'Trans proline' 0 N--CA 1.458 -0.614 0 C-N-CA 121.705 1.603 . . . . 0.0 111.214 179.255 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 88.0 m -80.15 -40.19 27.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.191 177.305 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 62.5 tp -54.7 -42.46 71.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.253 178.708 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 85.9 mtm180 -66.43 -28.62 68.75 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.173 -177.636 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -82.25 -34.79 28.65 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.187 174.914 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . . . -72.9 -46.2 54.0 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.196 -177.38 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.43 HD13 HD13 ' B' ' 47' ' ' LEU . 45.3 tp -72.92 -50.05 25.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.212 -177.52 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 59.5 ttp -50.02 -45.19 51.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.193 176.785 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 89.2 tt0 -59.51 -52.49 65.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.206 -175.582 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 33.2 m -75.92 -26.6 17.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.23 -171.019 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.444 ' O ' HG22 ' A' ' 55' ' ' VAL . 62.4 mt -60.33 -45.33 93.8 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.178 174.233 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 61.0 p -64.42 -22.39 66.94 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.21 -178.143 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -82.62 -29.92 29.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.193 -179.491 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 18.6 m-30 -86.21 -35.16 20.21 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.161 -174.005 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.444 HG22 ' O ' ' A' ' 51' ' ' LEU . 11.2 m -99.96 0.06 10.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.207 -174.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 77.6 m-20 63.07 59.92 1.26 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.253 173.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 24.3 m -139.37 166.95 20.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.203 173.778 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 85.3 p -76.61 169.33 18.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.218 165.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 95.7 mt -71.18 -21.08 62.2 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.242 -179.868 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -67.62 -14.97 63.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.21 176.398 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 61.7 m-80 -94.32 15.46 17.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.206 179.028 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 91.9 mt -121.97 125.84 73.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.203 172.723 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 79.6 ttt180 -111.51 119.46 38.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.177 -178.556 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 76.3 mt -118.86 122.49 69.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.265 -176.909 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 40.4 t -123.57 133.01 54.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.169 179.232 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 66.3 tt0 -106.2 120.72 42.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.227 -178.869 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -102.65 121.59 42.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.169 175.187 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 99.7 mttt -100.26 113.69 26.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.19 -176.701 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 56.8 mm-40 -127.1 46.01 2.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.144 176.909 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 97.1 m-20 64.71 -97.28 0.05 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.196 178.676 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -81.22 -21.15 63.22 Favored Glycine 0 CA--C 1.523 0.535 0 N-CA-C 111.209 -0.756 . . . . 0.0 111.209 -177.692 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 54.0 tpp -101.69 131.57 47.87 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.744 0.307 . . . . 0.0 111.184 173.148 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 63.2 t0 -135.23 113.01 10.9 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.205 175.891 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 99.0 t -113.5 124.3 70.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.252 -172.037 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.403 ' HB2' ' HB ' ' A' ' 26' ' ' ILE . 53.3 mt -100.37 135.39 41.88 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.244 173.518 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 68.6 tt0 -111.78 114.05 26.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.18 174.39 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.484 ' HB2' ' HB ' ' A' ' 24' ' ' ILE . 5.9 mp -114.48 113.44 24.47 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.166 -177.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 78.3 m-20 -109.13 113.81 26.99 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.162 179.032 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 4.7 mp -117.79 123.95 72.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.201 -172.825 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 95.2 m -65.72 127.52 32.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.236 174.415 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 33.9 tp . . . . . 0 C--O 1.2 -1.552 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.175 173.674 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 46.8 t0 . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.78 0.324 . . . . 0.0 111.259 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' B' B ' 21' ' ' ARG . . . . . . . . . . . . . 41.1 ptt180 -141.61 154.35 45.35 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.177 178.812 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 88.6 mt -109.31 137.73 46.74 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.217 177.822 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 66.9 tt0 -124.67 110.46 14.42 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.202 174.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 24' ' ' ILE . . . . . 0.484 ' HB ' ' HB2' ' B' ' 77' ' ' LEU . 76.0 mt -113.0 115.46 49.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.196 -178.731 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 25' ' ' ILE . . . . . 0.4 ' O ' ' HA ' ' A' ' 24' ' ' ILE . 46.0 mm -109.78 117.39 54.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.232 -177.834 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 26' ' ' ILE . . . . . 0.412 ' HB ' ' HB2' ' B' ' 75' ' ' LEU . 74.1 mt -108.44 106.46 20.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.209 -178.654 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -114.5 109.63 18.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.21 -172.488 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 28' ' ' GLN . . . . . . . . . . . . . 66.7 tt0 -86.47 121.14 28.61 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.198 171.371 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 29' ' ' GLU . . . . . 0.433 ' HG2' ' HG3' ' B' ' 30' ' ' ARG . 88.5 tt0 -110.27 129.03 55.81 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.183 -177.92 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 30' ' ' ARG . . . . . 0.433 ' HG3' ' HG2' ' B' ' 29' ' ' GLU . 99.8 mtt180 . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.253 -179.491 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 39' ' ' TYR . . . . . 0.451 ' N ' ' CD2' ' B' ' 39' ' ' TYR . 1.8 p90 . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.836 0.351 . . . . 0.0 111.199 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 40' ' ' LEU . . . . . 0.539 ' N ' ' CD ' ' B' ' 41' ' ' PRO . 86.7 mt -91.12 -43.22 0.39 Allowed Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.227 177.869 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 41' ' ' PRO . . . . . 0.539 ' CD ' ' N ' ' B' ' 40' ' ' LEU . 90.9 Cg_exo -51.56 -38.64 65.31 Favored 'Trans proline' 0 N--CA 1.458 -0.614 0 C-N-CA 121.705 1.603 . . . . 0.0 111.214 179.255 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 88.0 m -80.15 -40.19 27.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.191 177.305 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 62.5 tp -54.7 -42.46 71.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.253 178.708 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 44' ' ' ARG . . . . . . . . . . . . . 85.9 mtm180 -66.43 -28.62 68.75 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.173 -177.636 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 45' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -82.25 -34.79 28.65 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.187 174.914 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . . . -72.9 -46.2 54.0 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.196 -177.38 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 47' ' ' LEU . . . . . 0.43 HD13 HD13 ' A' ' 47' ' ' LEU . 45.3 tp -72.92 -50.05 25.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.212 -177.52 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 48' ' ' MET . . . . . . . . . . . . . 59.5 ttp -50.02 -45.19 51.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.193 176.785 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 89.2 tt0 -59.51 -52.49 65.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.206 -175.582 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 50' ' ' VAL . . . . . . . . . . . . . 33.2 m -75.92 -26.6 17.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.23 -171.019 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 51' ' ' LEU . . . . . 0.444 ' O ' HG22 ' B' ' 55' ' ' VAL . 62.4 mt -60.33 -45.33 93.8 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.178 174.233 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 61.0 p -64.42 -22.39 66.94 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.21 -178.143 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -82.62 -29.92 29.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.193 -179.491 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 18.6 m-30 -86.21 -35.16 20.21 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.161 -174.005 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 55' ' ' VAL . . . . . 0.444 HG22 ' O ' ' B' ' 51' ' ' LEU . 11.2 m -99.96 0.06 10.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.207 -174.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 56' ' ' ASN . . . . . . . . . . . . . 77.6 m-20 63.07 59.92 1.26 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.253 173.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 24.3 m -139.37 166.95 20.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.203 173.778 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 58' ' ' SER . . . . . . . . . . . . . 85.3 p -76.61 169.33 18.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.218 165.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 95.7 mt -71.18 -21.08 62.2 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.242 -179.868 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -67.62 -14.97 63.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.21 176.398 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 61' ' ' ASN . . . . . . . . . . . . . 61.7 m-80 -94.32 15.46 17.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.206 179.028 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 62' ' ' ILE . . . . . . . . . . . . . 91.9 mt -121.97 125.84 73.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.203 172.723 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 63' ' ' ARG . . . . . . . . . . . . . 79.6 ttt180 -111.51 119.46 38.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.177 -178.556 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 64' ' ' ILE . . . . . . . . . . . . . 76.3 mt -118.86 122.49 69.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.265 -176.909 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 40.4 t -123.57 133.01 54.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.169 179.232 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 66.3 tt0 -106.2 120.72 42.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.227 -178.869 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -102.65 121.59 42.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.169 175.187 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 68' ' ' LYS . . . . . . . . . . . . . 99.7 mttt -100.26 113.69 26.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.19 -176.701 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 69' ' ' GLN . . . . . . . . . . . . . 56.8 mm-40 -127.1 46.01 2.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.144 176.909 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 97.1 m-20 64.71 -97.28 0.05 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.196 178.676 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 71' ' ' GLY . . . . . . . . . . . . . . . -81.22 -21.15 63.22 Favored Glycine 0 CA--C 1.523 0.535 0 N-CA-C 111.209 -0.756 . . . . 0.0 111.209 -177.692 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 72' ' ' MET . . . . . . . . . . . . . 54.0 tpp -101.69 131.57 47.87 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.744 0.307 . . . . 0.0 111.184 173.148 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 73' ' ' ASP . . . . . . . . . . . . . 63.2 t0 -135.23 113.01 10.9 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.205 175.891 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 74' ' ' VAL . . . . . . . . . . . . . 99.0 t -113.5 124.3 70.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.252 -172.037 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 75' ' ' LEU . . . . . 0.412 ' HB2' ' HB ' ' B' ' 26' ' ' ILE . 53.3 mt -100.37 135.39 41.88 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.244 173.518 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 68.6 tt0 -111.78 114.05 26.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.18 174.39 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 77' ' ' LEU . . . . . 0.484 ' HB2' ' HB ' ' B' ' 24' ' ' ILE . 5.9 mp -114.48 113.44 24.47 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.166 -177.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 78' ' ' ASN . . . . . . . . . . . . . 78.3 m-20 -109.13 113.81 26.99 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.162 179.032 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 79' ' ' ILE . . . . . . . . . . . . . 4.7 mp -117.79 123.95 72.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.201 -172.825 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 80' ' ' THR . . . . . . . . . . . . . 95.2 m -65.72 127.52 32.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.236 174.415 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 33.9 tp . . . . . 0 C--O 1.2 -1.552 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.175 173.674 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . 0.517 ' HA ' ' HB3' ' A' ' 81' ' ' LEU . 95.8 m-20 . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.763 0.316 . . . . 0.0 111.201 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 43.7 ttm180 -134.64 97.38 3.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.163 -178.606 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 83.4 mt -109.97 128.79 55.6 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.182 174.863 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 36.1 tt0 -122.68 127.59 49.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.217 -178.748 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 4.8 mp -117.92 122.13 69.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.15 179.33 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.471 ' HB ' ' HB ' ' B' ' 25' ' ' ILE . 85.3 mt -117.81 119.27 61.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.136 -179.637 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.431 ' HB ' ' HB3' ' A' ' 75' ' ' LEU . 38.8 mm -110.67 114.45 47.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.226 175.721 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -99.09 131.81 44.86 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.245 -178.061 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 97.2 mt-30 -131.98 86.19 2.31 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.189 179.498 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -69.9 156.4 39.13 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.203 -176.554 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.163 179.789 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 41.7 m-85 . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.804 0.335 . . . . 0.0 111.254 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.606 ' N ' ' CD ' ' A' ' 41' ' ' PRO . 94.8 mt -70.58 -39.51 9.53 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.208 -178.206 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . 0.606 ' CD ' ' N ' ' A' ' 40' ' ' LEU . 87.4 Cg_exo -52.44 -36.35 69.31 Favored 'Trans proline' 0 N--CA 1.458 -0.577 0 C-N-CA 121.769 1.646 . . . . 0.0 111.159 177.609 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 96.9 m -71.32 -43.11 67.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.23 -178.708 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 79.3 mt -61.19 -41.46 96.85 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.197 177.242 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 84.8 mtm180 -65.9 -39.99 91.12 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.222 -179.156 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -66.2 -41.45 90.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.199 175.892 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . . . -61.89 -42.68 99.36 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.204 178.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 84.0 mt -63.4 -33.55 75.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.197 -179.813 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 93.8 mmm -69.51 -27.52 65.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.142 176.334 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 99.8 mt-10 -83.55 -39.38 20.48 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.201 175.503 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 72.3 t -77.93 -82.0 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.14 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.47 ' O ' HG22 ' A' ' 55' ' ' VAL . 87.6 mt -73.34 -44.75 58.24 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.168 -163.254 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' SER . . . . . 0.422 ' OG ' ' O ' ' A' ' 57' ' ' VAL . 38.0 t -55.64 -40.44 72.2 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.124 -176.939 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -77.05 -22.61 52.67 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.218 178.835 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 4.5 m-30 -76.77 -29.09 55.93 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.149 179.021 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.47 HG22 ' O ' ' A' ' 51' ' ' LEU . 31.7 m -113.82 -8.65 12.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.185 -175.932 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 85.0 m-20 62.59 60.49 1.34 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.24 179.443 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.426 HG23 HG23 ' A' ' 55' ' ' VAL . 64.3 t -126.72 137.01 59.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.225 177.103 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 69.6 p -79.04 162.08 26.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.246 -174.897 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 35.2 tp -59.4 -32.2 69.95 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.252 175.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -68.43 -31.62 71.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.191 179.346 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 67.2 m-80 -92.56 18.56 8.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.275 176.614 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 95.2 mt -121.91 130.24 74.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.205 171.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 79.7 ttt180 -97.18 122.69 40.47 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.213 -177.174 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 79.2 mt -123.62 121.89 63.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.205 -178.076 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 93.8 p -148.25 162.04 40.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.185 178.093 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 84.9 mt-30 -125.71 152.35 45.42 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.175 178.501 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -135.9 127.0 27.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.223 -177.438 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -105.04 120.86 42.53 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.19 178.095 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 65.2 mm-40 -127.95 116.52 20.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.183 177.159 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 86.8 m-20 62.53 -100.99 0.1 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.186 -175.905 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -128.77 30.92 3.65 Favored Glycine 0 CA--C 1.523 0.568 0 N-CA-C 111.242 -0.743 . . . . 0.0 111.242 173.357 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 67.1 ttp -119.89 129.27 54.29 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.829 0.347 . . . . 0.0 111.166 -178.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 92.9 m-20 -101.04 132.19 46.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.162 176.738 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 86.6 t -120.4 130.29 74.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.179 179.71 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.431 ' HB3' ' HB ' ' A' ' 26' ' ' ILE . 52.3 tp -105.34 126.09 51.72 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.192 172.311 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 74.1 tt0 -121.33 123.9 43.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.21 -178.176 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 4.8 mp -119.88 136.97 54.29 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.211 172.47 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 71.3 m-80 -126.24 110.86 13.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.186 177.234 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 75.9 mt -98.9 115.23 38.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.172 -177.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 98.1 m -107.9 126.25 52.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.247 -174.296 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.517 ' HB3' ' HA ' ' A' ' 20' ' ' ASP . 54.8 tp . . . . . 0 C--O 1.201 -1.488 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.213 178.015 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 20' ' ' ASP . . . . . 0.512 ' HA ' ' HB3' ' B' ' 81' ' ' LEU . 95.8 m-20 . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.763 0.316 . . . . 0.0 111.201 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 21' ' ' ARG . . . . . . . . . . . . . 43.7 ttm180 -134.64 97.38 3.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.163 -178.606 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 83.4 mt -109.97 128.79 55.6 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.182 174.863 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 36.1 tt0 -122.68 127.59 49.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.217 -178.748 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 24' ' ' ILE . . . . . . . . . . . . . 4.8 mp -117.92 122.13 69.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.15 179.33 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 25' ' ' ILE . . . . . 0.471 ' HB ' ' HB ' ' A' ' 25' ' ' ILE . 85.3 mt -117.81 119.27 61.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.136 -179.637 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 26' ' ' ILE . . . . . 0.439 ' HB ' ' HB3' ' B' ' 75' ' ' LEU . 38.8 mm -110.67 114.45 47.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.226 175.721 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -99.09 131.81 44.86 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.245 -178.061 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 28' ' ' GLN . . . . . . . . . . . . . 97.2 mt-30 -131.98 86.19 2.31 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.189 179.498 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -69.9 156.4 39.13 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.203 -176.554 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.163 179.789 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' B' B ' 39' ' ' TYR . . . . . . . . . . . . . 41.7 m-85 . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.804 0.335 . . . . 0.0 111.254 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' B' B ' 40' ' ' LEU . . . . . 0.611 ' N ' ' CD ' ' B' ' 41' ' ' PRO . 94.8 mt -70.58 -39.51 9.53 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.208 -178.206 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 41' ' ' PRO . . . . . 0.611 ' CD ' ' N ' ' B' ' 40' ' ' LEU . 87.4 Cg_exo -52.44 -36.35 69.31 Favored 'Trans proline' 0 N--CA 1.458 -0.577 0 C-N-CA 121.769 1.646 . . . . 0.0 111.159 177.609 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 96.9 m -71.32 -43.11 67.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.23 -178.708 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 79.3 mt -61.19 -41.46 96.85 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.197 177.242 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 44' ' ' ARG . . . . . . . . . . . . . 84.8 mtm180 -65.9 -39.99 91.12 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.222 -179.156 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 45' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -66.2 -41.45 90.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.199 175.892 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . . . -61.89 -42.68 99.36 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.204 178.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 84.0 mt -63.4 -33.55 75.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.197 -179.813 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 48' ' ' MET . . . . . . . . . . . . . 93.8 mmm -69.51 -27.52 65.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.142 176.334 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 99.8 mt-10 -83.55 -39.38 20.48 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.201 175.503 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 50' ' ' VAL . . . . . . . . . . . . . 72.3 t -77.93 -82.0 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.14 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 51' ' ' LEU . . . . . 0.456 ' O ' HG22 ' B' ' 55' ' ' VAL . 87.6 mt -73.34 -44.75 58.24 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.168 -163.254 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 52' ' ' SER . . . . . 0.428 ' OG ' ' O ' ' B' ' 57' ' ' VAL . 38.0 t -55.64 -40.44 72.2 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.124 -176.939 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -77.05 -22.61 52.67 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.218 178.835 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 54' ' ' TYR . . . . . 0.412 ' HD1' ' HA ' ' B' ' 54' ' ' TYR . 4.5 m-30 -76.77 -29.09 55.93 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.149 179.021 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 55' ' ' VAL . . . . . 0.456 HG22 ' O ' ' B' ' 51' ' ' LEU . 31.7 m -113.82 -8.65 12.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.185 -175.932 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 56' ' ' ASN . . . . . . . . . . . . . 85.0 m-20 62.59 60.49 1.34 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.24 179.443 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 57' ' ' VAL . . . . . 0.428 ' O ' ' OG ' ' B' ' 52' ' ' SER . 64.3 t -126.72 137.01 59.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.225 177.103 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 58' ' ' SER . . . . . . . . . . . . . 69.6 p -79.04 162.08 26.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.246 -174.897 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 35.2 tp -59.4 -32.2 69.95 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.252 175.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -68.43 -31.62 71.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.191 179.346 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 61' ' ' ASN . . . . . . . . . . . . . 67.2 m-80 -92.56 18.56 8.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.275 176.614 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 62' ' ' ILE . . . . . . . . . . . . . 95.2 mt -121.91 130.24 74.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.205 171.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 63' ' ' ARG . . . . . . . . . . . . . 79.7 ttt180 -97.18 122.69 40.47 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.213 -177.174 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 64' ' ' ILE . . . . . . . . . . . . . 79.2 mt -123.62 121.89 63.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.205 -178.076 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 93.8 p -148.25 162.04 40.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.185 178.093 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 84.9 mt-30 -125.71 152.35 45.42 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.175 178.501 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -135.9 127.0 27.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.223 -177.438 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 68' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -105.04 120.86 42.53 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.19 178.095 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 69' ' ' GLN . . . . . . . . . . . . . 65.2 mm-40 -127.95 116.52 20.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.183 177.159 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 86.8 m-20 62.53 -100.99 0.1 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.186 -175.905 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 71' ' ' GLY . . . . . . . . . . . . . . . -128.77 30.92 3.65 Favored Glycine 0 CA--C 1.523 0.568 0 N-CA-C 111.242 -0.743 . . . . 0.0 111.242 173.357 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 72' ' ' MET . . . . . . . . . . . . . 67.1 ttp -119.89 129.27 54.29 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.829 0.347 . . . . 0.0 111.166 -178.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 73' ' ' ASP . . . . . . . . . . . . . 92.9 m-20 -101.04 132.19 46.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.162 176.738 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 74' ' ' VAL . . . . . . . . . . . . . 86.6 t -120.4 130.29 74.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.179 179.71 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 75' ' ' LEU . . . . . 0.439 ' HB3' ' HB ' ' B' ' 26' ' ' ILE . 52.3 tp -105.34 126.09 51.72 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.192 172.311 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 74.1 tt0 -121.33 123.9 43.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.21 -178.176 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 4.8 mp -119.88 136.97 54.29 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.211 172.47 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 78' ' ' ASN . . . . . . . . . . . . . 71.3 m-80 -126.24 110.86 13.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.186 177.234 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 79' ' ' ILE . . . . . . . . . . . . . 75.9 mt -98.9 115.23 38.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.172 -177.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 80' ' ' THR . . . . . . . . . . . . . 98.1 m -107.9 126.25 52.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.247 -174.296 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 81' ' ' LEU . . . . . 0.512 ' HB3' ' HA ' ' B' ' 20' ' ' ASP . 54.8 tp . . . . . 0 C--O 1.201 -1.488 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.213 178.015 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 97.7 m-20 . . . . . 0 CA--C 1.523 -0.089 0 CA-C-O 120.833 0.349 . . . . 0.0 111.26 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 88.7 mtm180 -130.53 144.79 51.64 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.25 -168.433 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 39.0 tp -139.5 132.21 29.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.204 176.865 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 41.7 tt0 -126.16 130.28 50.69 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.216 -179.257 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 88.3 mt -120.04 127.34 75.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.25 179.226 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 83.5 mt -116.95 117.35 55.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.247 -178.669 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 82.5 mt -110.06 107.01 21.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.177 178.606 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -103.66 93.5 4.95 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.225 -173.088 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 50.4 tp60 -91.33 113.65 25.97 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.167 -179.575 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 75.5 tt0 -63.84 127.77 32.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.206 176.294 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 82.8 mtp180 . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.191 -175.679 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 24.0 m-85 . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.834 0.35 . . . . 0.0 111.137 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.601 ' N ' ' CD ' ' A' ' 41' ' ' PRO . 88.2 mt -67.65 -40.76 26.69 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.197 170.188 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . 0.601 ' CD ' ' N ' ' A' ' 40' ' ' LEU . 78.1 Cg_exo -54.89 -31.91 75.39 Favored 'Trans proline' 0 N--CA 1.458 -0.615 0 C-N-CA 121.703 1.602 . . . . 0.0 111.218 173.757 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 96.9 m -70.28 -40.52 74.27 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.223 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 96.0 mt -62.45 -34.94 77.78 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.223 174.134 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -66.09 -39.97 90.44 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.187 175.549 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -73.46 -34.4 65.37 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.184 178.633 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . . . -60.42 -49.36 77.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.197 175.569 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 84.7 mt -67.3 -36.95 82.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.197 177.336 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 62.4 ttp -52.02 -52.38 51.2 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.262 177.821 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 99.7 mt-10 -70.07 -37.48 75.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.195 -175.197 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 74.2 t -75.29 -49.04 29.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.138 -177.891 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.445 ' HA ' ' HB3' ' A' ' 54' ' ' TYR . 85.9 mt -65.51 -31.67 72.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.207 -174.09 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 39.0 t -55.1 -45.32 75.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.185 179.864 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -84.72 -28.72 26.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.164 179.208 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . 0.445 ' HB3' ' HA ' ' A' ' 51' ' ' LEU . 84.5 t80 -67.58 -47.76 68.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.17 179.585 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.469 ' O ' HG12 ' A' ' 55' ' ' VAL . 99.6 t -93.56 -10.92 9.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.195 178.935 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 63.8 t30 63.38 47.76 3.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.189 -178.224 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 35.6 m -139.65 166.19 21.36 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.248 176.873 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 60.5 p -85.36 179.25 7.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.216 176.449 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 52.1 tp -62.72 -22.68 66.71 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.223 178.042 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 98.2 m-20 -65.1 -20.55 66.52 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.207 -175.727 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 68.3 m-80 -98.1 15.45 24.19 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.22 179.557 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 87.7 mt -119.16 124.66 73.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.193 177.608 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 75.5 ttt180 -119.64 121.73 39.95 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.19 177.209 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 84.5 mt -120.94 132.27 70.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.22 -173.74 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 48.4 t -152.06 143.28 23.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.225 175.825 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 24.7 pt20 -125.53 154.35 42.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.184 -171.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 87.6 tt0 -151.03 133.55 15.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.126 175.037 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -98.99 115.44 28.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.187 -178.185 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 68.6 mm-40 -133.76 144.51 49.1 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.168 177.228 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 78.6 m-20 60.53 26.42 16.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.21 179.796 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 75.09 32.01 56.9 Favored Glycine 0 CA--C 1.522 0.506 0 N-CA-C 111.187 -0.765 . . . . 0.0 111.187 178.516 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 59.7 ttm -142.62 117.88 10.17 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.787 0.327 . . . . 0.0 111.184 -178.567 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 66.2 t0 -85.93 111.89 20.67 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.24 -176.863 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 97.5 t -106.85 124.31 62.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.202 -172.892 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 8.3 mp -102.47 127.9 49.31 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.185 179.821 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 65.1 tt0 -113.4 120.4 40.93 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.182 -179.376 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.489 ' C ' HD23 ' A' ' 77' ' ' LEU . 9.7 tt -114.94 121.02 41.88 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.189 178.181 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 73.3 m-80 -113.24 120.92 42.86 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.196 178.275 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 19.1 tt -129.7 136.9 58.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.166 -178.041 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 85.1 m -131.35 139.07 49.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.215 -174.306 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 50.7 tp . . . . . 0 C--O 1.2 -1.526 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.278 178.65 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 97.7 m-20 . . . . . 0 CA--C 1.523 -0.089 0 CA-C-O 120.833 0.349 . . . . 0.0 111.26 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' B' B ' 21' ' ' ARG . . . . . . . . . . . . . 88.7 mtm180 -130.53 144.79 51.64 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.25 -168.433 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 39.0 tp -139.5 132.21 29.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.204 176.865 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 41.7 tt0 -126.16 130.28 50.69 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.216 -179.257 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 24' ' ' ILE . . . . . . . . . . . . . 88.3 mt -120.04 127.34 75.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.25 179.226 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 25' ' ' ILE . . . . . . . . . . . . . 83.5 mt -116.95 117.35 55.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.247 -178.669 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 82.5 mt -110.06 107.01 21.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.177 178.606 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -103.66 93.5 4.95 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.225 -173.088 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 28' ' ' GLN . . . . . . . . . . . . . 50.4 tp60 -91.33 113.65 25.97 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.167 -179.575 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 75.5 tt0 -63.84 127.77 32.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.206 176.294 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 82.8 mtp180 . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.191 -175.679 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' B' B ' 39' ' ' TYR . . . . . . . . . . . . . 24.0 m-85 . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.834 0.35 . . . . 0.0 111.137 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' B' B ' 40' ' ' LEU . . . . . 0.59 ' N ' ' CD ' ' B' ' 41' ' ' PRO . 88.2 mt -67.65 -40.76 26.69 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.197 170.188 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 41' ' ' PRO . . . . . 0.59 ' CD ' ' N ' ' B' ' 40' ' ' LEU . 78.1 Cg_exo -54.89 -31.91 75.39 Favored 'Trans proline' 0 N--CA 1.458 -0.615 0 C-N-CA 121.703 1.602 . . . . 0.0 111.218 173.757 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 96.9 m -70.28 -40.52 74.27 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.223 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 96.0 mt -62.45 -34.94 77.78 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.223 174.134 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 44' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -66.09 -39.97 90.44 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.187 175.549 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 45' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -73.46 -34.4 65.37 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.184 178.633 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . . . -60.42 -49.36 77.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.197 175.569 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 84.7 mt -67.3 -36.95 82.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.197 177.336 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 48' ' ' MET . . . . . . . . . . . . . 62.4 ttp -52.02 -52.38 51.2 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.262 177.821 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 99.7 mt-10 -70.07 -37.48 75.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.195 -175.197 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 50' ' ' VAL . . . . . . . . . . . . . 74.2 t -75.29 -49.04 29.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.138 -177.891 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 51' ' ' LEU . . . . . 0.447 ' HA ' ' HB3' ' B' ' 54' ' ' TYR . 85.9 mt -65.51 -31.67 72.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.207 -174.09 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 39.0 t -55.1 -45.32 75.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.185 179.864 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -84.72 -28.72 26.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.164 179.208 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 54' ' ' TYR . . . . . 0.447 ' HB3' ' HA ' ' B' ' 51' ' ' LEU . 84.5 t80 -67.58 -47.76 68.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.17 179.585 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 55' ' ' VAL . . . . . 0.463 ' O ' HG12 ' B' ' 55' ' ' VAL . 99.6 t -93.56 -10.92 9.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.195 178.935 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 56' ' ' ASN . . . . . . . . . . . . . 63.8 t30 63.38 47.76 3.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.189 -178.224 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 35.6 m -139.65 166.19 21.36 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.248 176.873 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 58' ' ' SER . . . . . . . . . . . . . 60.5 p -85.36 179.25 7.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.216 176.449 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 52.1 tp -62.72 -22.68 66.71 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.223 178.042 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 98.2 m-20 -65.1 -20.55 66.52 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.207 -175.727 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 61' ' ' ASN . . . . . . . . . . . . . 68.3 m-80 -98.1 15.45 24.19 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.22 179.557 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 62' ' ' ILE . . . . . . . . . . . . . 87.7 mt -119.16 124.66 73.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.193 177.608 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 63' ' ' ARG . . . . . . . . . . . . . 75.5 ttt180 -119.64 121.73 39.95 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.19 177.209 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 64' ' ' ILE . . . . . . . . . . . . . 84.5 mt -120.94 132.27 70.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.22 -173.74 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 48.4 t -152.06 143.28 23.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.225 175.825 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 24.7 pt20 -125.53 154.35 42.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.184 -171.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 87.6 tt0 -151.03 133.55 15.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.126 175.037 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 68' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -98.99 115.44 28.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.187 -178.185 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 69' ' ' GLN . . . . . . . . . . . . . 68.6 mm-40 -133.76 144.51 49.1 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.168 177.228 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 78.6 m-20 60.53 26.42 16.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.21 179.796 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 71' ' ' GLY . . . . . . . . . . . . . . . 75.09 32.01 56.9 Favored Glycine 0 CA--C 1.522 0.506 0 N-CA-C 111.187 -0.765 . . . . 0.0 111.187 178.516 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 72' ' ' MET . . . . . . . . . . . . . 59.7 ttm -142.62 117.88 10.17 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.787 0.327 . . . . 0.0 111.184 -178.567 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 73' ' ' ASP . . . . . . . . . . . . . 66.2 t0 -85.93 111.89 20.67 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.24 -176.863 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 74' ' ' VAL . . . . . . . . . . . . . 97.5 t -106.85 124.31 62.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.202 -172.892 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 75' ' ' LEU . . . . . 0.408 ' N ' HD12 ' B' ' 75' ' ' LEU . 8.3 mp -102.47 127.9 49.31 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.185 179.821 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 65.1 tt0 -113.4 120.4 40.93 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.182 -179.376 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 77' ' ' LEU . . . . . 0.475 ' C ' HD23 ' B' ' 77' ' ' LEU . 9.7 tt -114.94 121.02 41.88 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.189 178.181 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 78' ' ' ASN . . . . . . . . . . . . . 73.3 m-80 -113.24 120.92 42.86 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.196 178.275 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 79' ' ' ILE . . . . . . . . . . . . . 19.1 tt -129.7 136.9 58.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.166 -178.041 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 80' ' ' THR . . . . . . . . . . . . . 85.1 m -131.35 139.07 49.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.215 -174.306 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 50.7 tp . . . . . 0 C--O 1.2 -1.526 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.278 178.65 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 97.7 m-20 . . . . . 0 C--O 1.23 0.078 0 CA-C-O 120.776 0.322 . . . . 0.0 111.191 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 83.1 mtt85 -139.0 146.33 40.76 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.226 -173.556 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 9.3 tt -139.68 138.62 36.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.182 174.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 47.3 tt0 -134.88 136.88 42.73 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.207 -176.635 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.437 ' HB ' ' HB3' ' A' ' 77' ' ' LEU . 79.8 mt -122.19 123.58 69.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.183 177.086 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 82.1 mt -122.11 115.98 47.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.174 178.652 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 70.8 mt -128.39 130.51 69.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.23 -177.77 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -137.6 151.54 48.44 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.172 -179.257 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 33.0 tt0 -140.51 130.06 24.12 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.167 176.675 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 86.2 tt0 -64.73 120.57 12.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.203 174.347 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 73.7 mtp180 . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.159 -171.439 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 13.8 p90 . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.769 0.319 . . . . 0.0 111.169 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.572 ' N ' ' CD ' ' A' ' 41' ' ' PRO . 85.3 mt -75.32 -41.36 3.81 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.202 -173.819 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . 0.572 ' CD ' ' N ' ' A' ' 40' ' ' LEU . 99.1 Cg_exo -51.57 -40.09 64.37 Favored 'Trans proline' 0 N--CA 1.458 -0.6 0 C-N-CA 121.742 1.628 . . . . 0.0 111.199 178.105 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 98.7 m -73.77 -48.03 34.59 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.237 179.111 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 88.6 mt -64.49 -38.2 90.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.144 -178.117 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 59.8 ttp180 -52.98 -60.61 3.06 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.184 175.467 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -61.65 -37.69 84.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.206 -179.757 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . . . -67.03 -51.24 57.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.203 -178.363 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 89.4 mt -67.95 -38.07 82.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.169 -176.051 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 95.5 mtp -68.27 -34.23 75.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.212 177.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -64.88 -43.86 91.54 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.161 174.25 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 53.7 t -65.0 -45.59 94.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.19 178.638 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 88.5 mt -68.41 -32.85 73.19 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.204 179.865 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 46.6 t -57.97 -42.22 84.58 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.205 175.89 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -86.26 -26.13 25.16 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.18 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 17.2 t80 -64.25 -49.29 72.48 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.168 -176.561 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 19.3 m -122.43 15.44 5.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.19 -178.911 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 86.9 m-20 59.64 62.29 1.77 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.212 170.054 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 35.4 m -132.54 162.74 39.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.223 179.644 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 54.1 p -82.04 178.86 8.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.152 177.776 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 92.4 mt -79.1 -11.35 59.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.165 177.382 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 91.2 m-20 -86.99 -3.69 59.11 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.17 175.711 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 32.8 m120 -96.4 8.97 42.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.222 177.227 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 87.1 mt -128.62 134.3 64.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.237 -179.75 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 79.4 ttt180 -103.63 120.31 40.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.257 -177.208 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 49.8 mm -109.35 124.59 66.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.217 -179.631 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 45.8 t -121.53 93.82 4.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.148 175.323 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 61.7 tt0 -98.41 129.93 45.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.194 -179.378 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 25.4 pt-20 -154.66 164.95 37.99 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.21 179.641 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -105.11 109.92 22.1 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.194 177.221 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 72.7 tp60 -88.0 103.07 15.36 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.177 176.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 74.2 m-20 55.39 -112.58 0.72 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.203 -179.32 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -104.6 30.92 9.23 Favored Glycine 0 CA--C 1.523 0.552 0 N-CA-C 111.212 -0.755 . . . . 0.0 111.212 -175.907 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 25.6 ptp -152.85 162.05 41.78 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.829 0.347 . . . . 0.0 111.209 177.428 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 79.2 m-20 -107.24 147.27 30.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.207 178.764 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 9.5 p -146.22 141.09 21.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.254 -178.234 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 10.2 tt -131.28 130.78 43.24 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.233 178.885 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 58.9 tt0 -108.71 124.6 50.8 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.254 178.409 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.527 ' C ' HD23 ' A' ' 77' ' ' LEU . 8.8 tt -115.23 118.63 33.83 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.186 -179.273 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 76.3 m-20 -114.91 128.79 56.49 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.255 179.63 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 18.5 tt -135.08 141.55 42.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.207 177.796 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 97.4 m -99.62 129.59 45.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.202 178.619 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 7.2 mp . . . . . 0 C--O 1.199 -1.565 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.172 -177.58 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 97.7 m-20 . . . . . 0 C--O 1.23 0.078 0 CA-C-O 120.776 0.322 . . . . 0.0 111.191 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' B' B ' 21' ' ' ARG . . . . . . . . . . . . . 83.1 mtt85 -139.0 146.33 40.76 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.226 -173.556 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 9.3 tt -139.68 138.62 36.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.182 174.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 47.3 tt0 -134.88 136.88 42.73 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.207 -176.635 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 24' ' ' ILE . . . . . 0.43 ' HB ' ' HB3' ' B' ' 77' ' ' LEU . 79.8 mt -122.19 123.58 69.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.183 177.086 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 25' ' ' ILE . . . . . . . . . . . . . 82.1 mt -122.11 115.98 47.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.174 178.652 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 70.8 mt -128.39 130.51 69.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.23 -177.77 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -137.6 151.54 48.44 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.172 -179.257 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 28' ' ' GLN . . . . . . . . . . . . . 33.0 tt0 -140.51 130.06 24.12 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.167 176.675 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 86.2 tt0 -64.73 120.57 12.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.203 174.347 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 73.7 mtp180 . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.159 -171.439 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' B' B ' 39' ' ' TYR . . . . . . . . . . . . . 13.8 p90 . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.769 0.319 . . . . 0.0 111.169 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' B' B ' 40' ' ' LEU . . . . . 0.578 ' N ' ' CD ' ' B' ' 41' ' ' PRO . 85.3 mt -75.32 -41.36 3.81 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.202 -173.819 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 41' ' ' PRO . . . . . 0.578 ' CD ' ' N ' ' B' ' 40' ' ' LEU . 99.1 Cg_exo -51.57 -40.09 64.37 Favored 'Trans proline' 0 N--CA 1.458 -0.6 0 C-N-CA 121.742 1.628 . . . . 0.0 111.199 178.105 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 98.7 m -73.77 -48.03 34.59 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.237 179.111 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 88.6 mt -64.49 -38.2 90.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.144 -178.117 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 44' ' ' ARG . . . . . . . . . . . . . 59.8 ttp180 -52.98 -60.61 3.06 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.184 175.467 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 45' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -61.65 -37.69 84.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.206 -179.757 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . . . -67.03 -51.24 57.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.203 -178.363 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 89.4 mt -67.95 -38.07 82.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.169 -176.051 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 48' ' ' MET . . . . . . . . . . . . . 95.5 mtp -68.27 -34.23 75.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.212 177.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -64.88 -43.86 91.54 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.161 174.25 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 50' ' ' VAL . . . . . . . . . . . . . 53.7 t -65.0 -45.59 94.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.19 178.638 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 88.5 mt -68.41 -32.85 73.19 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.204 179.865 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 46.6 t -57.97 -42.22 84.58 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.205 175.89 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -86.26 -26.13 25.16 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.18 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 17.2 t80 -64.25 -49.29 72.48 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.168 -176.561 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 55' ' ' VAL . . . . . . . . . . . . . 19.3 m -122.43 15.44 5.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.19 -178.911 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 56' ' ' ASN . . . . . . . . . . . . . 86.9 m-20 59.64 62.29 1.77 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.212 170.054 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 35.4 m -132.54 162.74 39.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.223 179.644 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 58' ' ' SER . . . . . . . . . . . . . 54.1 p -82.04 178.86 8.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.152 177.776 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 92.4 mt -79.1 -11.35 59.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.165 177.382 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 91.2 m-20 -86.99 -3.69 59.11 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.17 175.711 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 61' ' ' ASN . . . . . . . . . . . . . 32.8 m120 -96.4 8.97 42.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.222 177.227 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 62' ' ' ILE . . . . . . . . . . . . . 87.1 mt -128.62 134.3 64.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.237 -179.75 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 63' ' ' ARG . . . . . . . . . . . . . 79.4 ttt180 -103.63 120.31 40.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.257 -177.208 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 64' ' ' ILE . . . . . . . . . . . . . 49.8 mm -109.35 124.59 66.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.217 -179.631 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 45.8 t -121.53 93.82 4.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.148 175.323 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 61.7 tt0 -98.41 129.93 45.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.194 -179.378 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 25.4 pt-20 -154.66 164.95 37.99 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.21 179.641 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 68' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -105.11 109.92 22.1 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.194 177.221 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 69' ' ' GLN . . . . . . . . . . . . . 72.7 tp60 -88.0 103.07 15.36 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.177 176.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 74.2 m-20 55.39 -112.58 0.72 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.203 -179.32 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 71' ' ' GLY . . . . . . . . . . . . . . . -104.6 30.92 9.23 Favored Glycine 0 CA--C 1.523 0.552 0 N-CA-C 111.212 -0.755 . . . . 0.0 111.212 -175.907 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 72' ' ' MET . . . . . . . . . . . . . 25.6 ptp -152.85 162.05 41.78 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.829 0.347 . . . . 0.0 111.209 177.428 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 73' ' ' ASP . . . . . . . . . . . . . 79.2 m-20 -107.24 147.27 30.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.207 178.764 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 74' ' ' VAL . . . . . . . . . . . . . 9.5 p -146.22 141.09 21.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.254 -178.234 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 75' ' ' LEU . . . . . . . . . . . . . 10.2 tt -131.28 130.78 43.24 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.233 178.885 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 58.9 tt0 -108.71 124.6 50.8 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.254 178.409 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 77' ' ' LEU . . . . . 0.515 ' C ' HD23 ' B' ' 77' ' ' LEU . 8.8 tt -115.23 118.63 33.83 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.186 -179.273 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 78' ' ' ASN . . . . . . . . . . . . . 76.3 m-20 -114.91 128.79 56.49 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.255 179.63 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 79' ' ' ILE . . . . . . . . . . . . . 18.5 tt -135.08 141.55 42.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.207 177.796 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 80' ' ' THR . . . . . . . . . . . . . 97.4 m -99.62 129.59 45.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.202 178.619 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 7.2 mp . . . . . 0 C--O 1.199 -1.565 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.172 -177.58 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 95.5 m-20 . . . . . 0 C--O 1.23 0.074 0 CA-C-O 120.849 0.357 . . . . 0.0 111.183 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 18.0 ptp180 -157.17 165.11 36.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.169 -174.296 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 81.5 mt -98.82 144.21 28.3 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.249 172.388 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 32.6 tt0 -128.77 117.88 21.86 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.243 179.818 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.415 HG22 HG13 ' A' ' 26' ' ' ILE . 4.8 mp -118.07 123.71 72.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.184 178.782 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 80.5 mt -112.54 109.93 30.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.202 177.56 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.415 HG13 HG22 ' A' ' 24' ' ' ILE . 85.6 mt -109.93 114.42 46.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.2 -176.809 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -107.65 125.84 51.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.156 -178.784 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 40.9 tt0 -109.35 110.02 21.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.241 170.893 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 65.2 mt-10 -69.65 159.22 33.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.206 -174.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 79.4 ttt180 . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.182 -175.191 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 29.1 m-85 . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.796 0.331 . . . . 0.0 111.235 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.564 ' HB3' ' HD3' ' A' ' 41' ' ' PRO . 10.1 tt -53.08 -44.91 98.24 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.222 -177.904 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . 0.564 ' HD3' ' HB3' ' A' ' 40' ' ' LEU . 78.9 Cg_exo -50.4 -42.39 48.43 Favored 'Trans proline' 0 N--CA 1.458 -0.579 0 C-N-CA 121.671 1.58 . . . . 0.0 111.217 178.506 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 77.4 p -83.57 -26.76 29.78 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.212 -176.234 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 95.2 mt -73.21 -30.8 63.76 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.187 177.089 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 69.8 ttp85 -62.44 -60.71 3.15 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.179 173.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -58.19 -39.26 78.48 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.205 -178.081 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . . . -67.36 -43.18 82.12 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.195 -179.8 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 51.0 tp -66.52 -41.76 88.32 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.195 178.262 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 94.6 mtp -59.93 -33.52 71.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.218 177.798 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -61.68 -46.98 87.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.217 176.709 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 29.4 m -87.44 -17.7 8.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.202 -174.678 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.452 ' O ' ' HB ' ' A' ' 55' ' ' VAL . 34.0 mt -64.49 -51.53 62.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.199 167.882 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 33.1 t -60.93 -34.9 75.42 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.163 175.605 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 83.7 tttt -71.02 -54.7 10.28 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.207 -173.898 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 47.1 m-85 -90.76 -33.42 15.74 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.184 -166.322 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.5 ' O ' HG12 ' A' ' 55' ' ' VAL . 94.5 t -81.91 -9.38 11.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.179 -172.347 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 76.9 m-20 62.28 61.68 1.26 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.233 -175.66 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 10.6 p -151.42 149.47 14.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.209 -171.461 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 59.5 p -87.01 170.75 11.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.223 179.674 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 97.0 mt -76.93 -23.13 52.45 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.156 -179.665 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 98.0 m-20 -68.89 -17.51 63.99 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.212 177.377 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 48.3 m-80 -96.72 13.11 29.54 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.195 179.703 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 77.0 mt -108.93 118.29 56.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.184 175.633 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 79.8 ttt180 -96.52 127.57 42.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.146 178.86 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 81.1 mt -114.79 116.53 52.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.214 -175.888 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 43.5 t -142.58 126.82 17.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.158 175.604 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 42.9 mt-30 -103.85 156.64 17.67 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.224 -179.225 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 71.2 tt0 -136.53 128.24 28.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.162 178.785 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -84.51 127.57 34.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.22 -179.275 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 79.2 mm-40 -127.79 76.18 1.66 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.176 172.794 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 93.2 m-20 63.41 -100.67 0.09 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.234 -178.488 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -108.69 9.58 34.88 Favored Glycine 0 CA--C 1.523 0.587 0 N-CA-C 111.19 -0.764 . . . . 0.0 111.19 -178.431 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 65.8 ttp -111.32 120.96 43.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.844 0.354 . . . . 0.0 111.194 178.451 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 62.2 t0 -94.72 113.79 25.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.166 178.888 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 95.9 t -105.58 126.85 60.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.187 -174.73 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 48.5 tp -108.82 126.75 53.37 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.241 176.453 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 67.4 tt0 -110.25 118.3 35.97 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.162 175.419 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 85.7 mt -113.39 126.88 55.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.219 177.425 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 72.6 m-80 -120.41 113.31 20.15 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.207 177.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 5.2 mp -118.82 128.07 75.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.204 -170.9 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 91.4 m -53.6 118.4 3.87 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.219 178.023 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 54.4 tp . . . . . 0 C--O 1.199 -1.555 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.201 -176.91 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 95.5 m-20 . . . . . 0 C--O 1.23 0.074 0 CA-C-O 120.849 0.357 . . . . 0.0 111.183 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' B' B ' 21' ' ' ARG . . . . . . . . . . . . . 18.0 ptp180 -157.17 165.11 36.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.169 -174.296 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 81.5 mt -98.82 144.21 28.3 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.249 172.388 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 32.6 tt0 -128.77 117.88 21.86 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.243 179.818 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 24' ' ' ILE . . . . . 0.404 HG22 HG13 ' B' ' 26' ' ' ILE . 4.8 mp -118.07 123.71 72.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.184 178.782 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 25' ' ' ILE . . . . . . . . . . . . . 80.5 mt -112.54 109.93 30.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.202 177.56 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 26' ' ' ILE . . . . . 0.404 HG13 HG22 ' B' ' 24' ' ' ILE . 85.6 mt -109.93 114.42 46.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.2 -176.809 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -107.65 125.84 51.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.156 -178.784 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 28' ' ' GLN . . . . . . . . . . . . . 40.9 tt0 -109.35 110.02 21.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.241 170.893 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 65.2 mt-10 -69.65 159.22 33.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.206 -174.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 79.4 ttt180 . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.182 -175.191 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' B' B ' 39' ' ' TYR . . . . . . . . . . . . . 29.1 m-85 . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.796 0.331 . . . . 0.0 111.235 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' B' B ' 40' ' ' LEU . . . . . 0.554 ' HB3' ' HD3' ' B' ' 41' ' ' PRO . 10.1 tt -53.08 -44.91 98.24 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.222 -177.904 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 41' ' ' PRO . . . . . 0.554 ' HD3' ' HB3' ' B' ' 40' ' ' LEU . 78.9 Cg_exo -50.4 -42.39 48.43 Favored 'Trans proline' 0 N--CA 1.458 -0.579 0 C-N-CA 121.671 1.58 . . . . 0.0 111.217 178.506 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 77.4 p -83.57 -26.76 29.78 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.212 -176.234 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 95.2 mt -73.21 -30.8 63.76 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.187 177.089 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 44' ' ' ARG . . . . . . . . . . . . . 69.8 ttp85 -62.44 -60.71 3.15 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.179 173.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 45' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -58.19 -39.26 78.48 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.205 -178.081 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . . . -67.36 -43.18 82.12 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.195 -179.8 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 51.0 tp -66.52 -41.76 88.32 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.195 178.262 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 48' ' ' MET . . . . . . . . . . . . . 94.6 mtp -59.93 -33.52 71.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.218 177.798 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -61.68 -46.98 87.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.217 176.709 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 50' ' ' VAL . . . . . . . . . . . . . 29.4 m -87.44 -17.7 8.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.202 -174.678 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 51' ' ' LEU . . . . . 0.452 ' O ' ' HB ' ' B' ' 55' ' ' VAL . 34.0 mt -64.49 -51.53 62.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.199 167.882 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 33.1 t -60.93 -34.9 75.42 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.163 175.605 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 83.7 tttt -71.02 -54.7 10.28 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.207 -173.898 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 47.1 m-85 -90.76 -33.42 15.74 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.184 -166.322 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 55' ' ' VAL . . . . . 0.494 ' O ' HG12 ' B' ' 55' ' ' VAL . 94.5 t -81.91 -9.38 11.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.179 -172.347 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 56' ' ' ASN . . . . . . . . . . . . . 76.9 m-20 62.28 61.68 1.26 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.233 -175.66 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 10.6 p -151.42 149.47 14.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.209 -171.461 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 58' ' ' SER . . . . . . . . . . . . . 59.5 p -87.01 170.75 11.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.223 179.674 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 97.0 mt -76.93 -23.13 52.45 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.156 -179.665 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 98.0 m-20 -68.89 -17.51 63.99 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.212 177.377 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 61' ' ' ASN . . . . . . . . . . . . . 48.3 m-80 -96.72 13.11 29.54 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.195 179.703 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 62' ' ' ILE . . . . . . . . . . . . . 77.0 mt -108.93 118.29 56.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.184 175.633 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 63' ' ' ARG . . . . . . . . . . . . . 79.8 ttt180 -96.52 127.57 42.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.146 178.86 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 64' ' ' ILE . . . . . . . . . . . . . 81.1 mt -114.79 116.53 52.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.214 -175.888 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 43.5 t -142.58 126.82 17.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.158 175.604 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 42.9 mt-30 -103.85 156.64 17.67 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.224 -179.225 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 71.2 tt0 -136.53 128.24 28.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.162 178.785 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 68' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -84.51 127.57 34.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.22 -179.275 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 69' ' ' GLN . . . . . . . . . . . . . 79.2 mm-40 -127.79 76.18 1.66 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.176 172.794 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 93.2 m-20 63.41 -100.67 0.09 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.234 -178.488 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 71' ' ' GLY . . . . . . . . . . . . . . . -108.69 9.58 34.88 Favored Glycine 0 CA--C 1.523 0.587 0 N-CA-C 111.19 -0.764 . . . . 0.0 111.19 -178.431 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 72' ' ' MET . . . . . . . . . . . . . 65.8 ttp -111.32 120.96 43.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.844 0.354 . . . . 0.0 111.194 178.451 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 73' ' ' ASP . . . . . . . . . . . . . 62.2 t0 -94.72 113.79 25.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.166 178.888 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 74' ' ' VAL . . . . . . . . . . . . . 95.9 t -105.58 126.85 60.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.187 -174.73 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 75' ' ' LEU . . . . . . . . . . . . . 48.5 tp -108.82 126.75 53.37 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.241 176.453 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 67.4 tt0 -110.25 118.3 35.97 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.162 175.419 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 85.7 mt -113.39 126.88 55.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.219 177.425 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 78' ' ' ASN . . . . . . . . . . . . . 72.6 m-80 -120.41 113.31 20.15 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.207 177.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 79' ' ' ILE . . . . . . . . . . . . . 5.2 mp -118.82 128.07 75.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.204 -170.9 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 80' ' ' THR . . . . . . . . . . . . . 91.4 m -53.6 118.4 3.87 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.219 178.023 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 54.4 tp . . . . . 0 C--O 1.199 -1.555 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.201 -176.91 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 65.5 t0 . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.816 0.341 . . . . 0.0 111.24 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 82.9 mtm180 -136.65 157.46 46.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.165 179.859 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 62.1 mt -117.76 145.92 44.15 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.227 178.025 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 36.2 tt0 -141.17 117.71 10.88 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.159 179.904 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 4.9 mp -120.69 118.94 58.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.198 -179.58 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 87.0 mt -109.49 121.78 63.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.196 -178.559 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 80.2 mt -107.31 114.32 45.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.214 -178.072 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -103.48 138.59 39.99 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.204 -177.718 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 86.9 mt-30 -125.1 121.64 34.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.19 175.481 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 95.5 mt-10 -81.53 163.57 22.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.182 177.596 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 47.0 mtp180 . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.16 -174.336 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 62.9 m-85 . . . . . 0 C--O 1.23 0.061 0 CA-C-O 120.779 0.323 . . . . 0.0 111.244 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.563 ' N ' ' CD ' ' A' ' 41' ' ' PRO . 43.3 tp -68.23 -41.52 25.78 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.224 -178.069 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . 0.563 ' CD ' ' N ' ' A' ' 40' ' ' LEU . 92.7 Cg_exo -51.67 -35.25 56.81 Favored 'Trans proline' 0 N--CA 1.459 -0.533 0 C-N-CA 121.628 1.552 . . . . 0.0 111.188 177.609 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 92.5 m -80.02 -41.91 24.83 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.231 -177.851 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 79.4 mt -61.87 -37.36 84.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.186 176.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 68.3 ttp85 -59.53 -50.67 72.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.183 174.35 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -63.49 -35.16 79.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.259 177.818 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . . . -62.43 -47.57 83.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.181 179.819 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 88.8 mt -69.45 -50.87 41.51 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.189 -179.568 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 98.0 mtp -58.52 -34.39 70.92 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.173 -175.038 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 89.1 tt0 -61.48 -53.34 57.73 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.17 178.417 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 33.3 m -82.34 -28.71 9.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.226 -170.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 84.7 mt -66.67 -40.15 88.47 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.221 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 92.0 p -66.71 -23.21 66.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.223 179.578 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -83.03 -27.38 30.37 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.207 178.859 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 22.4 m-30 -69.37 -37.83 77.76 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.205 -176.742 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 35.6 m -119.52 3.54 6.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.289 -175.377 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 86.9 m-20 58.02 61.56 2.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.204 173.763 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 32.3 m -131.32 167.66 25.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.193 175.814 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 84.7 p -74.41 169.14 18.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.138 172.416 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 96.8 mt -74.86 -15.91 60.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.26 179.795 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -71.41 -12.24 61.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.226 175.701 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 61.7 m-80 -95.19 17.05 14.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.203 178.492 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 85.9 mt -118.35 129.01 75.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.203 174.915 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . 0.408 ' HB3' ' HB2' ' A' ' 78' ' ' ASN . 79.7 ttt180 -96.19 124.69 40.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.146 -177.733 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 46.0 mm -109.98 102.94 14.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.156 -178.082 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 39.2 t -110.89 111.84 23.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.208 -175.541 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 68.9 tp60 -101.26 122.29 43.42 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.206 179.087 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -127.89 147.97 50.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.161 176.908 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -113.93 102.89 10.63 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.174 -177.386 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 96.0 mm-40 -88.88 59.92 5.26 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.14 178.074 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 90.5 m-20 63.1 -102.8 0.11 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.212 178.716 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -87.44 1.17 85.82 Favored Glycine 0 CA--C 1.522 0.528 0 N-CA-C 111.2 -0.76 . . . . 0.0 111.2 -175.702 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 68.1 ttp -131.42 130.36 42.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.773 0.32 . . . . 0.0 111.208 174.355 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 97.9 m-20 -105.44 138.04 42.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.218 174.099 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 34.8 m -124.65 147.53 29.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.173 -177.126 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 53.6 tp -131.41 115.79 16.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.219 177.614 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -102.0 122.9 44.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.177 -175.339 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 6.0 mp -112.46 112.37 23.87 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.244 -179.152 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' ASN . . . . . 0.408 ' HB2' ' HB3' ' A' ' 63' ' ' ARG . 72.7 m-80 -106.46 135.3 48.21 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.204 -179.371 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 21.6 tt -140.7 145.09 26.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.198 174.146 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 95.8 m -118.45 132.78 56.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.198 -171.258 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 55.1 tp . . . . . 0 C--O 1.199 -1.568 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.213 175.836 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 65.5 t0 . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.816 0.341 . . . . 0.0 111.24 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' B' B ' 21' ' ' ARG . . . . . . . . . . . . . 82.9 mtm180 -136.65 157.46 46.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.165 179.859 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 62.1 mt -117.76 145.92 44.15 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.227 178.025 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 36.2 tt0 -141.17 117.71 10.88 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.159 179.904 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 24' ' ' ILE . . . . . 0.401 HD13 HD11 ' B' ' 51' ' ' LEU . 4.9 mp -120.69 118.94 58.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.198 -179.58 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 25' ' ' ILE . . . . . . . . . . . . . 87.0 mt -109.49 121.78 63.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.196 -178.559 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 80.2 mt -107.31 114.32 45.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.214 -178.072 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -103.48 138.59 39.99 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.204 -177.718 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 28' ' ' GLN . . . . . . . . . . . . . 86.9 mt-30 -125.1 121.64 34.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.19 175.481 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 95.5 mt-10 -81.53 163.57 22.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.182 177.596 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 47.0 mtp180 . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.16 -174.336 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' B' B ' 39' ' ' TYR . . . . . . . . . . . . . 62.9 m-85 . . . . . 0 C--O 1.23 0.061 0 CA-C-O 120.779 0.323 . . . . 0.0 111.244 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' B' B ' 40' ' ' LEU . . . . . 0.576 ' N ' ' CD ' ' B' ' 41' ' ' PRO . 43.3 tp -68.23 -41.52 25.78 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.224 -178.069 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 41' ' ' PRO . . . . . 0.576 ' CD ' ' N ' ' B' ' 40' ' ' LEU . 92.7 Cg_exo -51.67 -35.25 56.81 Favored 'Trans proline' 0 N--CA 1.459 -0.533 0 C-N-CA 121.628 1.552 . . . . 0.0 111.188 177.609 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 92.5 m -80.02 -41.91 24.83 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.231 -177.851 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 79.4 mt -61.87 -37.36 84.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.186 176.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 44' ' ' ARG . . . . . . . . . . . . . 68.3 ttp85 -59.53 -50.67 72.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.183 174.35 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 45' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -63.49 -35.16 79.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.259 177.818 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . . . -62.43 -47.57 83.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.181 179.819 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 88.8 mt -69.45 -50.87 41.51 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.189 -179.568 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 48' ' ' MET . . . . . . . . . . . . . 98.0 mtp -58.52 -34.39 70.92 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.173 -175.038 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 89.1 tt0 -61.48 -53.34 57.73 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.17 178.417 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 50' ' ' VAL . . . . . . . . . . . . . 33.3 m -82.34 -28.71 9.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.226 -170.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 51' ' ' LEU . . . . . 0.401 HD11 HD13 ' B' ' 24' ' ' ILE . 84.7 mt -66.67 -40.15 88.47 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.221 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 92.0 p -66.71 -23.21 66.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.223 179.578 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -83.03 -27.38 30.37 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.207 178.859 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 22.4 m-30 -69.37 -37.83 77.76 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.205 -176.742 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 55' ' ' VAL . . . . . . . . . . . . . 35.6 m -119.52 3.54 6.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.289 -175.377 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 56' ' ' ASN . . . . . . . . . . . . . 86.9 m-20 58.02 61.56 2.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.204 173.763 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 32.3 m -131.32 167.66 25.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.193 175.814 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 58' ' ' SER . . . . . . . . . . . . . 84.7 p -74.41 169.14 18.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.138 172.416 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 96.8 mt -74.86 -15.91 60.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.26 179.795 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -71.41 -12.24 61.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.226 175.701 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 61' ' ' ASN . . . . . . . . . . . . . 61.7 m-80 -95.19 17.05 14.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.203 178.492 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 62' ' ' ILE . . . . . . . . . . . . . 85.9 mt -118.35 129.01 75.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.203 174.915 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 63' ' ' ARG . . . . . 0.409 ' HB3' ' HB2' ' B' ' 78' ' ' ASN . 79.7 ttt180 -96.19 124.69 40.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.146 -177.733 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 64' ' ' ILE . . . . . . . . . . . . . 46.0 mm -109.98 102.94 14.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.156 -178.082 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 39.2 t -110.89 111.84 23.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.208 -175.541 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 68.9 tp60 -101.26 122.29 43.42 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.206 179.087 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -127.89 147.97 50.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.161 176.908 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 68' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -113.93 102.89 10.63 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.174 -177.386 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 69' ' ' GLN . . . . . . . . . . . . . 96.0 mm-40 -88.88 59.92 5.26 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.14 178.074 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 90.5 m-20 63.1 -102.8 0.11 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.212 178.716 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 71' ' ' GLY . . . . . . . . . . . . . . . -87.44 1.17 85.82 Favored Glycine 0 CA--C 1.522 0.528 0 N-CA-C 111.2 -0.76 . . . . 0.0 111.2 -175.702 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 72' ' ' MET . . . . . . . . . . . . . 68.1 ttp -131.42 130.36 42.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.773 0.32 . . . . 0.0 111.208 174.355 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 73' ' ' ASP . . . . . . . . . . . . . 97.9 m-20 -105.44 138.04 42.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.218 174.099 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 74' ' ' VAL . . . . . . . . . . . . . 34.8 m -124.65 147.53 29.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.173 -177.126 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 75' ' ' LEU . . . . . . . . . . . . . 53.6 tp -131.41 115.79 16.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.219 177.614 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -102.0 122.9 44.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.177 -175.339 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 6.0 mp -112.46 112.37 23.87 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.244 -179.152 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 78' ' ' ASN . . . . . 0.409 ' HB2' ' HB3' ' B' ' 63' ' ' ARG . 72.7 m-80 -106.46 135.3 48.21 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.204 -179.371 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 79' ' ' ILE . . . . . . . . . . . . . 21.6 tt -140.7 145.09 26.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.198 174.146 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 80' ' ' THR . . . . . . . . . . . . . 95.8 m -118.45 132.78 56.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.198 -171.258 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 55.1 tp . . . . . 0 C--O 1.199 -1.568 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.213 175.836 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 61.4 t0 . . . . . 0 N--CA 1.457 -0.093 0 CA-C-O 120.781 0.324 . . . . 0.0 111.198 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 85.3 mtp180 -124.24 141.87 51.71 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.189 -176.589 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 5.2 mp -120.09 143.5 48.1 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.205 -179.091 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 92.9 mm-40 -119.94 128.13 53.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.215 171.901 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.485 ' HB ' ' HB2' ' A' ' 77' ' ' LEU . 68.8 mt -114.54 108.36 25.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.17 171.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 43.9 mm -100.4 114.63 39.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.222 -179.288 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.416 ' HB ' ' HB2' ' A' ' 75' ' ' LEU . 36.0 mm -104.09 100.05 9.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.159 178.43 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -109.17 109.82 20.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.269 -176.638 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 66.3 tt0 -103.43 101.63 11.53 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.214 178.194 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -93.48 133.34 36.86 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.219 -173.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.215 -174.298 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 61.1 t80 . . . . . 0 C--O 1.232 0.144 0 CA-C-O 120.769 0.319 . . . . 0.0 111.197 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.58 ' N ' ' CD ' ' A' ' 41' ' ' PRO . 85.6 mt -68.27 -40.57 21.27 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.203 178.772 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . 0.58 ' CD ' ' N ' ' A' ' 40' ' ' LEU . 74.6 Cg_exo -50.77 -33.36 40.31 Favored 'Trans proline' 0 N--CA 1.458 -0.607 0 C-N-CA 121.7 1.6 . . . . 0.0 111.192 179.207 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 82.7 p -87.71 -26.62 22.86 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.19 -175.822 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 97.1 mt -75.39 -31.64 60.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.173 171.9 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 81.1 mtp180 -65.18 -43.13 92.67 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.216 173.893 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -69.72 -31.43 69.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.223 175.294 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . . . -64.54 -48.87 73.46 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.138 176.505 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 90.7 mt -61.31 -35.79 78.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.248 177.696 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 60.1 ttp -59.0 -49.76 76.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.239 175.298 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -66.68 -40.05 88.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.259 -177.887 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 53.0 t -63.37 -51.2 73.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.148 177.764 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 80.9 mt -62.97 -35.94 81.82 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.156 -179.148 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 68.2 m -73.98 -34.06 64.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.142 179.425 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 83.0 tttt -74.25 -61.99 1.67 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.203 -177.276 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 89.6 m-85 -83.14 -40.04 20.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.205 -163.795 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 34.7 m -118.72 9.78 6.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.214 -171.597 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 87.4 m-20 56.21 50.07 14.17 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.178 167.177 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.411 HG11 HG23 ' A' ' 79' ' ' ILE . 71.4 t -109.89 140.05 30.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.232 175.213 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 83.0 p -89.95 162.58 15.34 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.161 -175.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 39.4 tp -61.56 -30.06 70.41 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.178 174.473 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -68.18 -37.41 80.92 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.198 177.443 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 94.6 m-20 -77.49 -3.71 41.87 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.183 178.31 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 70.3 mt -108.91 117.03 53.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.166 177.236 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 79.4 ttt180 -109.84 117.22 33.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.191 175.741 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.419 HG12 ' HG ' ' A' ' 77' ' ' LEU . 86.6 mt -105.55 117.62 51.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.157 -176.309 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 39.9 t -111.34 116.53 31.14 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.261 178.049 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 66.2 tt0 -91.18 116.2 28.63 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.222 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -115.71 140.42 49.21 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.155 179.62 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -102.79 112.98 26.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.185 -179.671 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . 0.545 ' O ' ' HB3' ' A' ' 70' ' ' ASP . 99.6 mm-40 -108.31 47.71 0.89 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.16 174.003 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . 0.545 ' HB3' ' O ' ' A' ' 69' ' ' GLN . 51.7 t0 84.52 -97.31 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.176 177.491 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -99.29 -6.46 55.4 Favored Glycine 0 CA--C 1.523 0.578 0 N-CA-C 111.196 -0.762 . . . . 0.0 111.196 175.069 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' MET . . . . . 0.405 ' HB3' ' HB2' ' A' ' 69' ' ' GLN . 56.5 ttm -101.19 115.53 30.7 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.809 0.338 . . . . 0.0 111.165 176.768 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 53.9 t0 -99.92 115.67 30.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.167 176.119 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 96.7 t -108.93 124.59 65.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.188 -173.465 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.416 ' HB2' ' HB ' ' A' ' 26' ' ' ILE . 56.0 mt -107.63 115.17 29.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.217 174.367 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -98.7 115.07 27.9 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.229 -179.183 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.485 ' HB2' ' HB ' ' A' ' 24' ' ' ILE . 9.1 mp -97.36 110.58 23.1 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.204 175.344 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 51.9 t30 -92.69 102.41 14.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.192 174.238 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . 0.411 HG23 HG11 ' A' ' 57' ' ' VAL . 74.7 mt -109.35 119.56 58.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.167 -166.938 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 97.6 m -94.75 113.99 25.83 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.19 170.854 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 53.8 tp . . . . . 0 C--O 1.2 -1.509 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.242 -178.585 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 61.4 t0 . . . . . 0 N--CA 1.457 -0.093 0 CA-C-O 120.781 0.324 . . . . 0.0 111.198 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' B' B ' 21' ' ' ARG . . . . . . . . . . . . . 85.3 mtp180 -124.24 141.87 51.71 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.189 -176.589 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 5.2 mp -120.09 143.5 48.1 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.205 -179.091 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 92.9 mm-40 -119.94 128.13 53.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.215 171.901 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 24' ' ' ILE . . . . . 0.49 ' HB ' ' HB2' ' B' ' 77' ' ' LEU . 68.8 mt -114.54 108.36 25.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.17 171.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 25' ' ' ILE . . . . . . . . . . . . . 43.9 mm -100.4 114.63 39.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.222 -179.288 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 26' ' ' ILE . . . . . 0.404 ' HB ' ' HB2' ' B' ' 75' ' ' LEU . 36.0 mm -104.09 100.05 9.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.159 178.43 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -109.17 109.82 20.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.269 -176.638 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 28' ' ' GLN . . . . . . . . . . . . . 66.3 tt0 -103.43 101.63 11.53 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.214 178.194 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -93.48 133.34 36.86 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.219 -173.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.215 -174.298 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' B' B ' 39' ' ' TYR . . . . . . . . . . . . . 61.1 t80 . . . . . 0 C--O 1.232 0.144 0 CA-C-O 120.769 0.319 . . . . 0.0 111.197 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' B' B ' 40' ' ' LEU . . . . . 0.563 ' N ' ' CD ' ' B' ' 41' ' ' PRO . 85.6 mt -68.27 -40.57 21.27 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.203 178.772 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 41' ' ' PRO . . . . . 0.563 ' CD ' ' N ' ' B' ' 40' ' ' LEU . 74.6 Cg_exo -50.77 -33.36 40.31 Favored 'Trans proline' 0 N--CA 1.458 -0.607 0 C-N-CA 121.7 1.6 . . . . 0.0 111.192 179.207 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 82.7 p -87.71 -26.62 22.86 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.19 -175.822 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 97.1 mt -75.39 -31.64 60.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.173 171.9 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 44' ' ' ARG . . . . . . . . . . . . . 81.1 mtp180 -65.18 -43.13 92.67 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.216 173.893 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 45' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -69.72 -31.43 69.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.223 175.294 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . . . -64.54 -48.87 73.46 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.138 176.505 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 90.7 mt -61.31 -35.79 78.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.248 177.696 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 48' ' ' MET . . . . . . . . . . . . . 60.1 ttp -59.0 -49.76 76.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.239 175.298 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -66.68 -40.05 88.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.259 -177.887 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 50' ' ' VAL . . . . . . . . . . . . . 53.0 t -63.37 -51.2 73.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.148 177.764 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 80.9 mt -62.97 -35.94 81.82 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.156 -179.148 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 68.2 m -73.98 -34.06 64.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.142 179.425 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 83.0 tttt -74.25 -61.99 1.67 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.203 -177.276 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 89.6 m-85 -83.14 -40.04 20.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.205 -163.795 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 55' ' ' VAL . . . . . . . . . . . . . 34.7 m -118.72 9.78 6.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.214 -171.597 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 56' ' ' ASN . . . . . . . . . . . . . 87.4 m-20 56.21 50.07 14.17 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.178 167.177 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 57' ' ' VAL . . . . . 0.421 HG11 HG23 ' B' ' 79' ' ' ILE . 71.4 t -109.89 140.05 30.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.232 175.213 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 58' ' ' SER . . . . . . . . . . . . . 83.0 p -89.95 162.58 15.34 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.161 -175.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 39.4 tp -61.56 -30.06 70.41 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.178 174.473 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -68.18 -37.41 80.92 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.198 177.443 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 61' ' ' ASN . . . . . . . . . . . . . 94.6 m-20 -77.49 -3.71 41.87 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.183 178.31 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 62' ' ' ILE . . . . . . . . . . . . . 70.3 mt -108.91 117.03 53.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.166 177.236 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 63' ' ' ARG . . . . . . . . . . . . . 79.4 ttt180 -109.84 117.22 33.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.191 175.741 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 64' ' ' ILE . . . . . 0.42 HG12 ' HG ' ' B' ' 77' ' ' LEU . 86.6 mt -105.55 117.62 51.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.157 -176.309 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 39.9 t -111.34 116.53 31.14 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.261 178.049 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 66.2 tt0 -91.18 116.2 28.63 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.222 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -115.71 140.42 49.21 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.155 179.62 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 68' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -102.79 112.98 26.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.185 -179.671 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 69' ' ' GLN . . . . . 0.539 ' O ' ' HB3' ' B' ' 70' ' ' ASP . 99.6 mm-40 -108.31 47.71 0.89 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.16 174.003 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 70' ' ' ASP . . . . . 0.539 ' HB3' ' O ' ' B' ' 69' ' ' GLN . 51.7 t0 84.52 -97.31 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.176 177.491 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 71' ' ' GLY . . . . . 0.424 ' H ' ' HB3' ' B' ' 70' ' ' ASP . . . -99.29 -6.46 55.4 Favored Glycine 0 CA--C 1.523 0.578 0 N-CA-C 111.196 -0.762 . . . . 0.0 111.196 175.069 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 72' ' ' MET . . . . . 0.421 ' HB3' ' HB2' ' B' ' 69' ' ' GLN . 56.5 ttm -101.19 115.53 30.7 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.809 0.338 . . . . 0.0 111.165 176.768 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 73' ' ' ASP . . . . . . . . . . . . . 53.9 t0 -99.92 115.67 30.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.167 176.119 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 74' ' ' VAL . . . . . . . . . . . . . 96.7 t -108.93 124.59 65.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.188 -173.465 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 75' ' ' LEU . . . . . 0.404 ' HB2' ' HB ' ' B' ' 26' ' ' ILE . 56.0 mt -107.63 115.17 29.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.217 174.367 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -98.7 115.07 27.9 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.229 -179.183 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 77' ' ' LEU . . . . . 0.49 ' HB2' ' HB ' ' B' ' 24' ' ' ILE . 9.1 mp -97.36 110.58 23.1 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.204 175.344 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 78' ' ' ASN . . . . . . . . . . . . . 51.9 t30 -92.69 102.41 14.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.192 174.238 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 79' ' ' ILE . . . . . 0.421 HG23 HG11 ' B' ' 57' ' ' VAL . 74.7 mt -109.35 119.56 58.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.167 -166.938 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 80' ' ' THR . . . . . . . . . . . . . 97.6 m -94.75 113.99 25.83 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.19 170.854 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 53.8 tp . . . . . 0 C--O 1.2 -1.509 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.242 -178.585 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 53.1 p . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.842 0.353 . . . . 0.0 111.176 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 76.9 t -58.99 -39.13 77.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.243 176.753 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.78 -43.94 97.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.175 176.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -73.38 -23.28 60.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.184 -178.022 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 92.6 m-20 -66.13 163.65 17.16 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.216 178.849 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 72.3 ttt180 -96.68 124.33 40.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.196 -179.86 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 55.8 tp -112.65 113.82 26.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.146 -179.107 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 46.3 tt0 -117.87 125.41 50.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.168 -178.446 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 69.9 mt -131.18 119.14 43.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.203 -178.105 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 89.6 mt -116.26 123.78 71.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.19 -177.299 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 4.8 mp -111.51 120.1 61.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.21 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -120.19 125.75 48.96 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.185 -175.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . 0.41 ' O ' ' HA ' ' A' ' 72' ' ' MET . 58.3 tt0 -108.23 102.33 11.47 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.22 171.772 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.401 ' HG2' ' HG3' ' A' ' 30' ' ' ARG . 86.2 tt0 -88.27 134.37 33.82 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.22 -172.532 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.401 ' HG3' ' HG2' ' A' ' 29' ' ' GLU . 99.5 mtt180 61.71 58.74 1.93 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.234 -176.162 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -77.26 123.46 26.49 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.182 -169.898 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 72.8 tp60 -67.12 116.69 8.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.187 176.294 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 99.5 mt-10 -82.49 -18.63 40.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.206 -176.031 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -73.3 -23.05 78.18 Favored Glycine 0 CA--C 1.523 0.585 0 N-CA-C 111.193 -0.763 . . . . 0.0 111.193 175.509 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 99.3 mm-40 -106.94 171.49 7.34 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.793 0.33 . . . . 0.0 111.264 177.888 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 92.7 m -126.96 124.08 23.82 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.157 179.882 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 86.5 Cg_exo -52.24 112.15 0.8 Allowed 'Trans proline' 0 N--CA 1.459 -0.538 0 C-N-CA 121.738 1.625 . . . . 0.0 111.155 176.603 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 54.9 p-10 -103.64 28.22 6.75 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.226 177.596 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 40.3 p90 -125.7 -24.13 3.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.197 -177.331 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.571 ' N ' ' CD ' ' A' ' 41' ' ' PRO . 78.1 mt -70.27 -42.08 15.28 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.175 -177.822 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . 0.571 ' CD ' ' N ' ' A' ' 40' ' ' LEU . 95.2 Cg_exo -51.1 -38.37 59.92 Favored 'Trans proline' 0 N--CA 1.457 -0.627 0 C-N-CA 121.759 1.639 . . . . 0.0 111.204 177.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 96.0 m -72.4 -42.47 65.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.153 177.422 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.433 ' O ' ' HG ' ' A' ' 47' ' ' LEU . 79.7 mt -62.86 -35.25 79.37 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.187 178.168 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 98.6 mtt180 -57.92 -45.86 85.87 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.23 177.454 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -66.78 -32.88 74.45 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.181 174.237 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . . . -70.22 -31.93 69.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.209 -176.776 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.433 ' HG ' ' O ' ' A' ' 43' ' ' LEU . 79.3 mt -95.06 -32.72 12.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.24 -174.408 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 99.1 mtp -83.37 -51.23 7.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.233 -178.37 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 99.5 mt-10 -93.63 -50.85 5.2 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.186 -170.783 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 73.6 t -71.13 -53.12 22.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.279 -167.14 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 68.3 mt -64.77 -36.69 85.13 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.243 -179.767 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 36.6 t -53.35 -40.19 64.72 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.224 -179.832 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -69.75 -24.47 63.54 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.243 -177.48 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 20.2 m-85 -82.73 -31.69 28.31 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.234 -176.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 35.7 m -109.08 -6.83 11.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.15 -177.692 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 87.2 m-20 56.85 47.3 18.19 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.171 178.748 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 83.8 t -119.22 137.28 53.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.188 -179.691 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 83.6 p -77.76 159.21 29.21 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.236 -174.248 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 93.7 mt -67.69 -18.24 64.85 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.201 177.609 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -70.7 -35.61 72.85 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.187 172.254 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 90.0 m-20 -91.52 7.18 42.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.187 178.794 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . 0.427 HG12 HG12 ' A' ' 79' ' ' ILE . 97.4 mt -113.69 127.58 70.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.178 176.095 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 79.7 ttt180 -102.41 123.11 45.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.221 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 91.6 mt -126.17 125.27 67.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.168 178.286 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 43.8 t -135.39 107.62 7.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.187 -177.879 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 64.6 tt0 -94.8 121.33 36.27 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.145 172.55 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 87.5 tt0 -143.56 131.25 21.31 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.185 -175.73 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 86.2 tttt -101.9 115.73 31.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.208 -179.597 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 80.6 mm-40 -120.98 147.86 44.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.231 172.28 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 77.6 m-20 47.81 -118.39 0.95 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.217 -170.025 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -112.12 12.15 26.64 Favored Glycine 0 CA--C 1.523 0.551 0 N-CA-C 111.242 -0.743 . . . . 0.0 111.242 175.286 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' MET . . . . . 0.41 ' HA ' ' O ' ' A' ' 28' ' ' GLN . 60.5 ttm -107.24 126.93 53.05 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.87 0.367 . . . . 0.0 111.202 -177.586 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 65.2 t0 -96.82 114.7 26.35 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.251 172.168 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 93.8 t -107.82 125.78 64.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.202 -174.275 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 65.6 tp -113.78 110.06 19.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.202 174.519 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 75.1 tt0 -101.68 127.96 48.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.208 -173.054 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 41.2 tp -114.38 129.65 56.66 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.173 176.442 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 69.9 m-80 -128.8 106.18 8.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.207 171.158 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . 0.427 HG12 HG12 ' A' ' 62' ' ' ILE . 69.3 mt -102.62 115.13 44.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.198 177.045 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 71.5 p -123.13 163.46 20.52 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.205 -177.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 54.4 tp . . . . . 0 C--O 1.2 -1.508 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.178 -179.332 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 16' ' ' THR . . . . . . . . . . . . . 53.1 p . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.842 0.353 . . . . 0.0 111.176 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 76.9 t -58.99 -39.13 77.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.243 176.753 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.78 -43.94 97.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.175 176.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -73.38 -23.28 60.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.184 -178.022 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 92.6 m-20 -66.13 163.65 17.16 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.216 178.849 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 21' ' ' ARG . . . . . . . . . . . . . 72.3 ttt180 -96.68 124.33 40.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.196 -179.86 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 55.8 tp -112.65 113.82 26.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.146 -179.107 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 46.3 tt0 -117.87 125.41 50.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.168 -178.446 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 24' ' ' ILE . . . . . . . . . . . . . 69.9 mt -131.18 119.14 43.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.203 -178.105 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 25' ' ' ILE . . . . . . . . . . . . . 89.6 mt -116.26 123.78 71.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.19 -177.299 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 4.8 mp -111.51 120.1 61.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.21 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -120.19 125.75 48.96 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.185 -175.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 28' ' ' GLN . . . . . 0.409 ' O ' ' HA ' ' B' ' 72' ' ' MET . 58.3 tt0 -108.23 102.33 11.47 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.22 171.772 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 86.2 tt0 -88.27 134.37 33.82 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.22 -172.532 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 61.71 58.74 1.93 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.234 -176.162 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -77.26 123.46 26.49 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.182 -169.898 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 72.8 tp60 -67.12 116.69 8.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.187 176.294 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 99.5 mt-10 -82.49 -18.63 40.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.206 -176.031 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -73.3 -23.05 78.18 Favored Glycine 0 CA--C 1.523 0.585 0 N-CA-C 111.193 -0.763 . . . . 0.0 111.193 175.509 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 35' ' ' GLN . . . . . . . . . . . . . 99.3 mm-40 -106.94 171.49 7.34 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.793 0.33 . . . . 0.0 111.264 177.888 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 36' ' ' THR . . . . . . . . . . . . . 92.7 m -126.96 124.08 23.82 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.157 179.882 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 86.5 Cg_exo -52.24 112.15 0.8 Allowed 'Trans proline' 0 N--CA 1.459 -0.538 0 C-N-CA 121.738 1.625 . . . . 0.0 111.155 176.603 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 54.9 p-10 -103.64 28.22 6.75 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.226 177.596 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 39' ' ' TYR . . . . . . . . . . . . . 40.3 p90 -125.7 -24.13 3.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.197 -177.331 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 40' ' ' LEU . . . . . 0.57 ' N ' ' CD ' ' B' ' 41' ' ' PRO . 78.1 mt -70.27 -42.08 15.28 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.175 -177.822 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 41' ' ' PRO . . . . . 0.57 ' CD ' ' N ' ' B' ' 40' ' ' LEU . 95.2 Cg_exo -51.1 -38.37 59.92 Favored 'Trans proline' 0 N--CA 1.457 -0.627 0 C-N-CA 121.759 1.639 . . . . 0.0 111.204 177.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 96.0 m -72.4 -42.47 65.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.153 177.422 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 43' ' ' LEU . . . . . 0.433 ' O ' ' HG ' ' B' ' 47' ' ' LEU . 79.7 mt -62.86 -35.25 79.37 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.187 178.168 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 44' ' ' ARG . . . . . . . . . . . . . 98.6 mtt180 -57.92 -45.86 85.87 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.23 177.454 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 45' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -66.78 -32.88 74.45 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.181 174.237 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . . . -70.22 -31.93 69.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.209 -176.776 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 47' ' ' LEU . . . . . 0.433 ' HG ' ' O ' ' B' ' 43' ' ' LEU . 79.3 mt -95.06 -32.72 12.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.24 -174.408 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 48' ' ' MET . . . . . . . . . . . . . 99.1 mtp -83.37 -51.23 7.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.233 -178.37 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 99.5 mt-10 -93.63 -50.85 5.2 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.186 -170.783 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 50' ' ' VAL . . . . . . . . . . . . . 73.6 t -71.13 -53.12 22.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.279 -167.14 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 68.3 mt -64.77 -36.69 85.13 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.243 -179.767 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 36.6 t -53.35 -40.19 64.72 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.224 -179.832 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -69.75 -24.47 63.54 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.243 -177.48 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 20.2 m-85 -82.73 -31.69 28.31 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.234 -176.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 55' ' ' VAL . . . . . . . . . . . . . 35.7 m -109.08 -6.83 11.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.15 -177.692 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 56' ' ' ASN . . . . . . . . . . . . . 87.2 m-20 56.85 47.3 18.19 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.171 178.748 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 83.8 t -119.22 137.28 53.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.188 -179.691 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 58' ' ' SER . . . . . . . . . . . . . 83.6 p -77.76 159.21 29.21 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.236 -174.248 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 93.7 mt -67.69 -18.24 64.85 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.201 177.609 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -70.7 -35.61 72.85 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.187 172.254 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 61' ' ' ASN . . . . . . . . . . . . . 90.0 m-20 -91.52 7.18 42.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.187 178.794 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 62' ' ' ILE . . . . . 0.431 HG12 HG12 ' B' ' 79' ' ' ILE . 97.4 mt -113.69 127.58 70.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.178 176.095 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 63' ' ' ARG . . . . . . . . . . . . . 79.7 ttt180 -102.41 123.11 45.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.221 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 64' ' ' ILE . . . . . . . . . . . . . 91.6 mt -126.17 125.27 67.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.168 178.286 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 43.8 t -135.39 107.62 7.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.187 -177.879 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 64.6 tt0 -94.8 121.33 36.27 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.145 172.55 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 87.5 tt0 -143.56 131.25 21.31 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.185 -175.73 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 68' ' ' LYS . . . . . . . . . . . . . 86.2 tttt -101.9 115.73 31.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.208 -179.597 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 69' ' ' GLN . . . . . . . . . . . . . 80.6 mm-40 -120.98 147.86 44.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.231 172.28 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 77.6 m-20 47.81 -118.39 0.95 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.217 -170.025 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 71' ' ' GLY . . . . . . . . . . . . . . . -112.12 12.15 26.64 Favored Glycine 0 CA--C 1.523 0.551 0 N-CA-C 111.242 -0.743 . . . . 0.0 111.242 175.286 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 72' ' ' MET . . . . . 0.409 ' HA ' ' O ' ' B' ' 28' ' ' GLN . 60.5 ttm -107.24 126.93 53.05 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.87 0.367 . . . . 0.0 111.202 -177.586 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 73' ' ' ASP . . . . . . . . . . . . . 65.2 t0 -96.82 114.7 26.35 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.251 172.168 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 74' ' ' VAL . . . . . . . . . . . . . 93.8 t -107.82 125.78 64.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.202 -174.275 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 75' ' ' LEU . . . . . . . . . . . . . 65.6 tp -113.78 110.06 19.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.202 174.519 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 75.1 tt0 -101.68 127.96 48.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.208 -173.054 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 41.2 tp -114.38 129.65 56.66 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.173 176.442 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 78' ' ' ASN . . . . . . . . . . . . . 69.9 m-80 -128.8 106.18 8.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.207 171.158 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 79' ' ' ILE . . . . . 0.431 HG12 HG12 ' B' ' 62' ' ' ILE . 69.3 mt -102.62 115.13 44.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.198 177.045 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 80' ' ' THR . . . . . . . . . . . . . 71.5 p -123.13 163.46 20.52 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.205 -177.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 54.4 tp . . . . . 0 C--O 1.2 -1.508 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.178 -179.332 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 98.5 m . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.766 0.317 . . . . 0.0 111.242 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 35.5 m -120.04 -14.7 8.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.218 178.195 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -76.03 151.77 37.08 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.254 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -63.73 130.64 45.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.196 177.719 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 6.0 t0 -159.11 179.29 9.17 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.197 -175.05 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 62.1 ttp180 -155.06 134.77 12.76 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.197 178.876 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.406 ' HB2' ' HB ' ' A' ' 79' ' ' ILE . 65.8 mt -117.09 150.1 39.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.184 176.273 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 37.3 tt0 -143.26 122.82 13.23 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.231 177.739 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 87.6 mt -123.73 125.14 70.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.19 178.854 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 47.6 mm -111.15 117.71 55.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.183 177.442 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 87.2 mt -110.95 107.08 22.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.21 179.037 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -101.29 115.59 30.85 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.155 -176.643 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 62.0 tt0 -109.06 104.21 13.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.211 176.741 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 89.6 mt-10 -73.3 133.24 43.83 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.178 178.327 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 75.5 mtp85 -121.3 -115.76 0.31 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.181 -176.513 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -172.79 172.71 4.04 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.22 -174.613 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 73.3 tp60 -65.7 107.33 1.73 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.231 174.729 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 94.7 mt-10 54.62 39.74 31.41 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.244 -172.68 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -68.26 149.38 49.93 Favored Glycine 0 CA--C 1.523 0.589 0 N-CA-C 111.202 -0.759 . . . . 0.0 111.202 179.047 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 97.2 mm-40 -124.64 31.1 5.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.772 0.32 . . . . 0.0 111.223 -173.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 60.2 p -80.29 158.88 71.29 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.197 179.469 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 77.7 Cg_exo -59.24 113.17 1.48 Allowed 'Trans proline' 0 N--CA 1.458 -0.581 0 C-N-CA 121.638 1.559 . . . . 0.0 111.216 -178.362 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 65.5 t0 -72.26 117.85 14.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.194 169.82 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 65.1 m-85 -97.26 -8.42 29.85 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.241 -171.722 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.634 ' N ' ' CD ' ' A' ' 41' ' ' PRO . 94.5 mt -69.22 -37.97 9.83 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.203 -168.395 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . 0.634 ' CD ' ' N ' ' A' ' 40' ' ' LEU . 98.9 Cg_exo -53.53 -31.93 61.24 Favored 'Trans proline' 0 N--CA 1.459 -0.557 0 C-N-CA 121.687 1.592 . . . . 0.0 111.182 -179.385 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 65.0 p -92.55 -28.65 16.63 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.21 -178.819 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 91.7 mt -75.87 -30.67 58.95 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.181 -178.042 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 35.0 ptt180 -65.65 -21.24 66.54 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.227 175.878 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -98.64 -38.5 9.1 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.192 178.268 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . . . -55.2 -62.55 1.59 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.128 -177.469 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 87.5 mt -63.19 -42.59 99.35 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.14 -176.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 36.2 mmt -75.74 -35.28 60.24 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.216 -166.72 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -74.42 -37.42 63.34 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.209 -179.747 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 71.3 t -72.34 -48.14 49.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.197 178.464 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.428 ' O ' HG22 ' A' ' 55' ' ' VAL . 87.8 mt -66.69 -30.62 70.91 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.183 -179.264 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 37.8 t -47.47 -45.74 26.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.2 -178.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -78.11 -14.63 59.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.192 -176.792 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 21.9 m-30 -90.56 -32.47 16.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.182 179.202 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.428 HG22 ' O ' ' A' ' 51' ' ' LEU . 23.1 m -100.63 -12.24 8.54 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.228 -178.443 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 82.3 m-20 65.14 46.06 2.83 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.18 179.559 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 96.8 t -129.52 136.66 58.76 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.228 -179.135 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 31.4 t -71.8 147.58 47.11 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.21 -175.408 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 94.1 mt -60.55 -27.85 67.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.145 175.814 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -67.7 -36.04 79.92 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.151 175.78 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 98.2 m-20 -76.2 -27.32 56.82 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.154 178.033 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 96.6 mt -75.5 133.95 30.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.226 179.197 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 79.6 ttt180 -100.13 123.91 44.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.207 -174.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 85.1 mt -120.56 118.49 56.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.225 179.132 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 43.9 t -135.15 104.04 5.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.178 -178.162 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 59.7 tt0 -94.53 135.63 35.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.144 171.576 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -141.55 132.36 25.8 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.215 -176.867 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -77.68 135.01 38.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.213 175.703 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 71.1 tp60 -133.52 112.98 11.96 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.153 178.065 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 80.6 m-20 58.14 -106.84 0.33 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.228 -176.565 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -121.05 40.11 2.22 Favored Glycine 0 CA--C 1.523 0.58 0 N-CA-C 111.207 -0.757 . . . . 0.0 111.207 178.651 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 28.5 ptm -155.06 166.45 33.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.774 0.321 . . . . 0.0 111.227 176.593 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 86.9 m-20 -118.99 138.09 53.06 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.189 179.57 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 95.8 t -123.36 132.09 72.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.2 179.514 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 56.6 tp -112.01 123.23 49.8 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.239 -178.164 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 79.2 tt0 -107.6 120.23 41.62 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.173 179.635 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 55.9 mt -120.15 109.31 15.29 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.196 -176.624 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 79.1 m-20 -111.63 131.15 55.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.192 -178.36 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . 0.406 ' HB ' ' HB2' ' A' ' 22' ' ' LEU . 79.9 mt -117.75 125.37 74.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.192 175.845 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 98.0 m -101.98 120.95 41.23 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.223 177.251 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 6.8 mp . . . . . 0 C--O 1.199 -1.577 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.17 -178.41 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 16' ' ' THR . . . . . . . . . . . . . 98.5 m . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.766 0.317 . . . . 0.0 111.242 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 35.5 m -120.04 -14.7 8.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.218 178.195 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -76.03 151.77 37.08 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.254 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -63.73 130.64 45.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.196 177.719 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 6.0 t0 -159.11 179.29 9.17 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.197 -175.05 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 21' ' ' ARG . . . . . . . . . . . . . 62.1 ttp180 -155.06 134.77 12.76 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.197 178.876 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 22' ' ' LEU . . . . . 0.402 ' HB2' ' HB ' ' B' ' 79' ' ' ILE . 65.8 mt -117.09 150.1 39.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.184 176.273 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 37.3 tt0 -143.26 122.82 13.23 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.231 177.739 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 24' ' ' ILE . . . . . . . . . . . . . 87.6 mt -123.73 125.14 70.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.19 178.854 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 25' ' ' ILE . . . . . . . . . . . . . 47.6 mm -111.15 117.71 55.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.183 177.442 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 87.2 mt -110.95 107.08 22.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.21 179.037 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -101.29 115.59 30.85 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.155 -176.643 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 28' ' ' GLN . . . . . . . . . . . . . 62.0 tt0 -109.06 104.21 13.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.211 176.741 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 89.6 mt-10 -73.3 133.24 43.83 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.178 178.327 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 75.5 mtp85 -121.3 -115.76 0.31 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.181 -176.513 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -172.79 172.71 4.04 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.22 -174.613 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 73.3 tp60 -65.7 107.33 1.73 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.231 174.729 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 94.7 mt-10 54.62 39.74 31.41 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.244 -172.68 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -68.26 149.38 49.93 Favored Glycine 0 CA--C 1.523 0.589 0 N-CA-C 111.202 -0.759 . . . . 0.0 111.202 179.047 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 35' ' ' GLN . . . . . . . . . . . . . 97.2 mm-40 -124.64 31.1 5.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.772 0.32 . . . . 0.0 111.223 -173.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 36' ' ' THR . . . . . . . . . . . . . 60.2 p -80.29 158.88 71.29 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.197 179.469 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 77.7 Cg_exo -59.24 113.17 1.48 Allowed 'Trans proline' 0 N--CA 1.458 -0.581 0 C-N-CA 121.638 1.559 . . . . 0.0 111.216 -178.362 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 65.5 t0 -72.26 117.85 14.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.194 169.82 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 39' ' ' TYR . . . . . . . . . . . . . 65.1 m-85 -97.26 -8.42 29.85 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.241 -171.722 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 40' ' ' LEU . . . . . 0.635 ' N ' ' CD ' ' B' ' 41' ' ' PRO . 94.5 mt -69.22 -37.97 9.83 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.203 -168.395 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 41' ' ' PRO . . . . . 0.635 ' CD ' ' N ' ' B' ' 40' ' ' LEU . 98.9 Cg_exo -53.53 -31.93 61.24 Favored 'Trans proline' 0 N--CA 1.459 -0.557 0 C-N-CA 121.687 1.592 . . . . 0.0 111.182 -179.385 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 65.0 p -92.55 -28.65 16.63 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.21 -178.819 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 91.7 mt -75.87 -30.67 58.95 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.181 -178.042 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 44' ' ' ARG . . . . . . . . . . . . . 35.0 ptt180 -65.65 -21.24 66.54 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.227 175.878 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 45' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -98.64 -38.5 9.1 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.192 178.268 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . . . -55.2 -62.55 1.59 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.128 -177.469 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 87.5 mt -63.19 -42.59 99.35 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.14 -176.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 48' ' ' MET . . . . . . . . . . . . . 36.2 mmt -75.74 -35.28 60.24 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.216 -166.72 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -74.42 -37.42 63.34 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.209 -179.747 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 50' ' ' VAL . . . . . . . . . . . . . 71.3 t -72.34 -48.14 49.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.197 178.464 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 51' ' ' LEU . . . . . 0.413 ' O ' HG22 ' B' ' 55' ' ' VAL . 87.8 mt -66.69 -30.62 70.91 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.183 -179.264 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 37.8 t -47.47 -45.74 26.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.2 -178.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -78.11 -14.63 59.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.192 -176.792 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 21.9 m-30 -90.56 -32.47 16.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.182 179.202 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 55' ' ' VAL . . . . . 0.413 HG22 ' O ' ' B' ' 51' ' ' LEU . 23.1 m -100.63 -12.24 8.54 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.228 -178.443 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 56' ' ' ASN . . . . . . . . . . . . . 82.3 m-20 65.14 46.06 2.83 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.18 179.559 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 96.8 t -129.52 136.66 58.76 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.228 -179.135 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 58' ' ' SER . . . . . . . . . . . . . 31.4 t -71.8 147.58 47.11 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.21 -175.408 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 94.1 mt -60.55 -27.85 67.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.145 175.814 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -67.7 -36.04 79.92 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.151 175.78 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 61' ' ' ASN . . . . . . . . . . . . . 98.2 m-20 -76.2 -27.32 56.82 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.154 178.033 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 62' ' ' ILE . . . . . . . . . . . . . 96.6 mt -75.5 133.95 30.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.226 179.197 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 63' ' ' ARG . . . . . . . . . . . . . 79.6 ttt180 -100.13 123.91 44.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.207 -174.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 64' ' ' ILE . . . . . . . . . . . . . 85.1 mt -120.56 118.49 56.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.225 179.132 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 43.9 t -135.15 104.04 5.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.178 -178.162 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 59.7 tt0 -94.53 135.63 35.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.144 171.576 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -141.55 132.36 25.8 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.215 -176.867 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 68' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -77.68 135.01 38.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.213 175.703 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 69' ' ' GLN . . . . . . . . . . . . . 71.1 tp60 -133.52 112.98 11.96 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.153 178.065 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 80.6 m-20 58.14 -106.84 0.33 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.228 -176.565 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 71' ' ' GLY . . . . . . . . . . . . . . . -121.05 40.11 2.22 Favored Glycine 0 CA--C 1.523 0.58 0 N-CA-C 111.207 -0.757 . . . . 0.0 111.207 178.651 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 72' ' ' MET . . . . . . . . . . . . . 28.5 ptm -155.06 166.45 33.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.774 0.321 . . . . 0.0 111.227 176.593 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 73' ' ' ASP . . . . . . . . . . . . . 86.9 m-20 -118.99 138.09 53.06 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.189 179.57 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 74' ' ' VAL . . . . . . . . . . . . . 95.8 t -123.36 132.09 72.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.2 179.514 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 75' ' ' LEU . . . . . . . . . . . . . 56.6 tp -112.01 123.23 49.8 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.239 -178.164 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 79.2 tt0 -107.6 120.23 41.62 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.173 179.635 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 55.9 mt -120.15 109.31 15.29 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.196 -176.624 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 78' ' ' ASN . . . . . . . . . . . . . 79.1 m-20 -111.63 131.15 55.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.192 -178.36 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 79' ' ' ILE . . . . . 0.402 ' HB ' ' HB2' ' B' ' 22' ' ' LEU . 79.9 mt -117.75 125.37 74.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.192 175.845 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 80' ' ' THR . . . . . . . . . . . . . 98.0 m -101.98 120.95 41.23 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.223 177.251 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 6.8 mp . . . . . 0 C--O 1.199 -1.577 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.17 -178.41 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 98.2 m . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.796 0.331 . . . . 0.0 111.167 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 33.4 m -70.81 -17.31 20.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.161 -179.82 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.71 -28.52 67.39 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.268 176.919 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 42.7 mmt180 -103.11 -27.62 12.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.175 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 50.3 t0 -68.18 108.18 3.05 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.186 -177.789 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 82.8 mtm180 -114.76 157.39 23.29 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.254 177.27 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 72.3 mt -115.9 149.59 38.44 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.206 179.75 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 42.4 tt0 -142.28 114.83 8.48 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.179 175.633 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.407 ' HA ' ' O ' ' B' ' 25' ' ' ILE . 5.3 mp -121.82 115.48 46.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.198 -178.277 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 85.0 mt -102.88 120.8 53.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.219 -174.624 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 71.0 mt -102.85 117.84 48.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.23 -178.212 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -111.72 120.44 42.02 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.189 -178.349 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 41.2 tt0 -105.68 117.93 35.29 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.182 170.517 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 64.5 tt0 -75.16 132.77 41.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.182 172.893 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 83.9 mtp180 -123.26 -115.09 0.3 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.239 -175.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -168.58 155.66 7.51 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.229 178.867 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 98.7 mt-30 -74.59 -39.7 62.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.2 179.64 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -124.59 -31.78 3.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.195 -177.441 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -81.95 178.36 53.63 Favored Glycine 0 CA--C 1.523 0.557 0 N-CA-C 111.208 -0.757 . . . . 0.0 111.208 -174.874 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 97.7 mm-40 -121.99 160.77 24.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.755 0.312 . . . . 0.0 111.161 178.518 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 12.6 t -154.86 146.29 16.79 Favored Pre-proline 0 C--N 1.328 -0.357 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.211 178.203 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 87.4 Cg_exo -52.36 131.19 39.19 Favored 'Trans proline' 0 N--CA 1.458 -0.561 0 C-N-CA 121.64 1.56 . . . . 0.0 111.222 176.642 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 76.8 m-20 -77.34 144.3 38.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.224 -179.808 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 68.9 m-85 -129.63 -34.63 1.76 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.207 179.688 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.581 ' HB3' ' HD3' ' A' ' 41' ' ' PRO . 9.9 tt -57.5 -45.05 99.9 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.22 -175.071 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . 0.581 ' HD3' ' HB3' ' A' ' 40' ' ' LEU . 98.2 Cg_exo -52.44 -49.2 18.25 Favored 'Trans proline' 0 N--CA 1.458 -0.614 0 C-N-CA 121.731 1.621 . . . . 0.0 111.188 179.245 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 81.7 p -79.17 -27.88 42.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.179 -175.541 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 81.9 mt -71.75 -44.48 63.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.217 175.907 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 57.7 ttp180 -53.51 -51.09 63.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.239 178.351 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -47.89 -52.58 18.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.195 176.614 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . . . -78.6 -38.8 39.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.203 -171.501 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.456 HD22 HD22 ' B' ' 47' ' ' LEU . 90.5 mt -69.13 -37.78 78.5 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.165 -174.055 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 94.5 mtp -62.05 -40.43 95.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.195 177.009 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -61.47 -29.5 70.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.259 177.224 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 73.2 t -79.88 -41.09 21.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.218 175.899 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 88.5 mt -63.97 -35.2 79.9 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.222 -177.877 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 85.2 p -81.12 -18.65 45.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.216 -177.053 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -66.6 -48.33 69.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.202 -175.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 94.6 m-85 -88.86 3.21 52.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.202 -166.861 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 35.6 m -130.33 -3.0 2.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.163 176.615 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 87.0 m-20 57.32 61.1 2.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.146 174.784 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 29.0 m -127.49 168.01 21.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.196 173.853 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 85.3 p -77.97 167.71 21.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.166 172.545 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 99.0 mt -83.16 -13.2 56.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.178 174.828 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 97.7 m-20 -77.41 -35.2 54.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.157 174.809 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 96.6 m-20 -61.12 -33.67 73.75 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.204 175.182 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 91.9 mt -70.92 130.13 34.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.181 177.824 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 79.8 ttt180 -106.22 125.61 51.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.182 -173.732 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 49.2 pt -97.36 148.12 5.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.159 179.087 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 35.4 t -144.96 87.0 1.81 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.225 176.212 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 66.0 tt0 -77.24 131.3 38.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.168 179.754 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -136.48 140.7 43.26 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.183 -178.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -92.87 99.4 12.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.156 179.575 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 97.2 mm-40 -86.86 61.72 6.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.208 179.235 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 90.8 m-20 62.78 -102.7 0.11 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.228 178.729 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -92.52 9.77 75.31 Favored Glycine 0 CA--C 1.523 0.561 0 N-CA-C 111.164 -0.774 . . . . 0.0 111.164 -179.424 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 90.4 mtp -126.44 170.28 12.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.788 0.327 . . . . 0.0 111.208 174.006 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 65.0 t0 -142.49 118.17 10.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.195 176.483 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 23.8 m -115.81 164.23 12.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.179 -175.001 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 10.3 tt -151.56 121.03 6.87 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.192 175.27 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -91.17 135.67 33.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.166 -176.741 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 89.9 mt -112.44 119.3 37.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.162 176.267 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 71.5 m-80 -112.26 125.3 54.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.177 -179.909 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 4.5 mp -119.93 118.94 58.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.216 179.699 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 96.9 m -106.29 132.09 52.75 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.165 177.816 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 66.0 mt . . . . . 0 C--O 1.199 -1.579 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.211 -172.868 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 16' ' ' THR . . . . . . . . . . . . . 98.2 m . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.796 0.331 . . . . 0.0 111.167 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 33.4 m -70.81 -17.31 20.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.161 -179.82 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.71 -28.52 67.39 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.268 176.919 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 42.7 mmt180 -103.11 -27.62 12.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.175 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 50.3 t0 -68.18 108.18 3.05 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.186 -177.789 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 21' ' ' ARG . . . . . . . . . . . . . 82.8 mtm180 -114.76 157.39 23.29 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.254 177.27 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 72.3 mt -115.9 149.59 38.44 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.206 179.75 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 42.4 tt0 -142.28 114.83 8.48 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.179 175.633 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 24' ' ' ILE . . . . . . . . . . . . . 5.3 mp -121.82 115.48 46.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.198 -178.277 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 25' ' ' ILE . . . . . 0.407 ' O ' ' HA ' ' A' ' 24' ' ' ILE . 85.0 mt -102.88 120.8 53.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.219 -174.624 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 71.0 mt -102.85 117.84 48.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.23 -178.212 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -111.72 120.44 42.02 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.189 -178.349 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 28' ' ' GLN . . . . . . . . . . . . . 41.2 tt0 -105.68 117.93 35.29 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.182 170.517 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 64.5 tt0 -75.16 132.77 41.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.182 172.893 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 83.9 mtp180 -123.26 -115.09 0.3 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.239 -175.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -168.58 155.66 7.51 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.229 178.867 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 98.7 mt-30 -74.59 -39.7 62.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.2 179.64 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -124.59 -31.78 3.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.195 -177.441 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -81.95 178.36 53.63 Favored Glycine 0 CA--C 1.523 0.557 0 N-CA-C 111.208 -0.757 . . . . 0.0 111.208 -174.874 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 35' ' ' GLN . . . . . . . . . . . . . 97.7 mm-40 -121.99 160.77 24.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.755 0.312 . . . . 0.0 111.161 178.518 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 36' ' ' THR . . . . . . . . . . . . . 12.6 t -154.86 146.29 16.79 Favored Pre-proline 0 C--N 1.328 -0.357 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.211 178.203 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 87.4 Cg_exo -52.36 131.19 39.19 Favored 'Trans proline' 0 N--CA 1.458 -0.561 0 C-N-CA 121.64 1.56 . . . . 0.0 111.222 176.642 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 76.8 m-20 -77.34 144.3 38.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.224 -179.808 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 39' ' ' TYR . . . . . . . . . . . . . 68.9 m-85 -129.63 -34.63 1.76 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.207 179.688 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 40' ' ' LEU . . . . . 0.583 ' HB3' ' HD3' ' B' ' 41' ' ' PRO . 9.9 tt -57.5 -45.05 99.9 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.22 -175.071 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 41' ' ' PRO . . . . . 0.583 ' HD3' ' HB3' ' B' ' 40' ' ' LEU . 98.2 Cg_exo -52.44 -49.2 18.25 Favored 'Trans proline' 0 N--CA 1.458 -0.614 0 C-N-CA 121.731 1.621 . . . . 0.0 111.188 179.245 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 81.7 p -79.17 -27.88 42.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.179 -175.541 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 81.9 mt -71.75 -44.48 63.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.217 175.907 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 44' ' ' ARG . . . . . . . . . . . . . 57.7 ttp180 -53.51 -51.09 63.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.239 178.351 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 45' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -47.89 -52.58 18.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.195 176.614 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . . . -78.6 -38.8 39.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.203 -171.501 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 47' ' ' LEU . . . . . 0.456 HD22 HD22 ' A' ' 47' ' ' LEU . 90.5 mt -69.13 -37.78 78.5 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.165 -174.055 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 48' ' ' MET . . . . . . . . . . . . . 94.5 mtp -62.05 -40.43 95.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.195 177.009 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -61.47 -29.5 70.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.259 177.224 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 50' ' ' VAL . . . . . . . . . . . . . 73.2 t -79.88 -41.09 21.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.218 175.899 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 88.5 mt -63.97 -35.2 79.9 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.222 -177.877 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 85.2 p -81.12 -18.65 45.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.216 -177.053 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -66.6 -48.33 69.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.202 -175.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 94.6 m-85 -88.86 3.21 52.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.202 -166.861 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 55' ' ' VAL . . . . . . . . . . . . . 35.6 m -130.33 -3.0 2.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.163 176.615 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 56' ' ' ASN . . . . . . . . . . . . . 87.0 m-20 57.32 61.1 2.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.146 174.784 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 29.0 m -127.49 168.01 21.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.196 173.853 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 58' ' ' SER . . . . . . . . . . . . . 85.3 p -77.97 167.71 21.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.166 172.545 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 99.0 mt -83.16 -13.2 56.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.178 174.828 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 97.7 m-20 -77.41 -35.2 54.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.157 174.809 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 61' ' ' ASN . . . . . . . . . . . . . 96.6 m-20 -61.12 -33.67 73.75 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.204 175.182 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 62' ' ' ILE . . . . . . . . . . . . . 91.9 mt -70.92 130.13 34.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.181 177.824 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 63' ' ' ARG . . . . . . . . . . . . . 79.8 ttt180 -106.22 125.61 51.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.182 -173.732 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 64' ' ' ILE . . . . . . . . . . . . . 49.2 pt -97.36 148.12 5.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.159 179.087 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 35.4 t -144.96 87.0 1.81 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.225 176.212 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 66.0 tt0 -77.24 131.3 38.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.168 179.754 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -136.48 140.7 43.26 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.183 -178.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 68' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -92.87 99.4 12.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.156 179.575 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 69' ' ' GLN . . . . . . . . . . . . . 97.2 mm-40 -86.86 61.72 6.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.208 179.235 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 90.8 m-20 62.78 -102.7 0.11 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.228 178.729 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 71' ' ' GLY . . . . . . . . . . . . . . . -92.52 9.77 75.31 Favored Glycine 0 CA--C 1.523 0.561 0 N-CA-C 111.164 -0.774 . . . . 0.0 111.164 -179.424 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 72' ' ' MET . . . . . . . . . . . . . 90.4 mtp -126.44 170.28 12.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.788 0.327 . . . . 0.0 111.208 174.006 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 73' ' ' ASP . . . . . . . . . . . . . 65.0 t0 -142.49 118.17 10.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.195 176.483 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 74' ' ' VAL . . . . . . . . . . . . . 23.8 m -115.81 164.23 12.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.179 -175.001 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 75' ' ' LEU . . . . . . . . . . . . . 10.3 tt -151.56 121.03 6.87 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.192 175.27 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -91.17 135.67 33.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.166 -176.741 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 89.9 mt -112.44 119.3 37.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.162 176.267 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 78' ' ' ASN . . . . . . . . . . . . . 71.5 m-80 -112.26 125.3 54.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.177 -179.909 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 79' ' ' ILE . . . . . . . . . . . . . 4.5 mp -119.93 118.94 58.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.216 179.699 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 80' ' ' THR . . . . . . . . . . . . . 96.9 m -106.29 132.09 52.75 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.165 177.816 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 66.0 mt . . . . . 0 C--O 1.199 -1.579 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.211 -172.868 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 69.9 p . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.761 0.315 . . . . 0.0 111.149 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 56.7 t -63.05 -47.15 94.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.173 -174.815 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -66.05 -38.44 88.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.251 -174.609 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 42.9 mmt180 -94.4 -64.38 1.08 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.189 -173.149 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . 0.447 ' HB2' ' HG2' ' B' ' 32' ' ' GLN . 46.8 t0 -79.03 123.94 27.8 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.259 -168.774 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 41.1 ptt180 -141.61 154.35 45.35 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.177 178.812 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 88.6 mt -109.31 137.73 46.74 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.217 177.822 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 66.9 tt0 -124.67 110.46 14.42 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.202 174.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.484 ' HB ' ' HB2' ' A' ' 77' ' ' LEU . 76.0 mt -113.0 115.46 49.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.196 -178.731 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 46.0 mm -109.78 117.39 54.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.232 -177.834 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.403 ' HB ' ' HB2' ' A' ' 75' ' ' LEU . 74.1 mt -108.44 106.46 20.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.209 -178.654 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -114.5 109.63 18.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.21 -172.488 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 66.7 tt0 -86.47 121.14 28.61 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.198 171.371 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.427 ' HG2' ' HG3' ' A' ' 30' ' ' ARG . 88.5 tt0 -110.27 129.03 55.81 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.183 -177.92 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.427 ' HG3' ' HG2' ' A' ' 29' ' ' GLU . 99.8 mtt180 63.13 56.93 1.68 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.253 -179.491 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -62.66 123.71 19.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.164 -172.613 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . 0.452 ' HG2' ' HB2' ' B' ' 20' ' ' ASP . 95.5 mm-40 -108.29 163.06 13.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.193 174.741 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -111.94 23.6 13.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.238 -177.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -89.34 -0.54 79.76 Favored Glycine 0 CA--C 1.523 0.555 0 N-CA-C 111.152 -0.779 . . . . 0.0 111.152 -178.097 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 79.3 mm-40 -118.04 -177.47 3.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.866 0.365 . . . . 0.0 111.2 -178.601 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 86.0 m -54.26 125.32 50.26 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.22 -176.788 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 87.6 Cg_exo -55.3 -38.5 93.72 Favored 'Trans proline' 0 N--CA 1.459 -0.531 0 C-N-CA 121.731 1.62 . . . . 0.0 111.183 -176.637 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 42.4 t0 -107.88 98.37 7.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.224 -176.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . 0.456 ' CD2' ' N ' ' A' ' 39' ' ' TYR . 1.8 p90 -133.04 -31.77 1.26 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.199 -176.265 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.544 ' N ' ' CD ' ' A' ' 41' ' ' PRO . 86.7 mt -91.12 -43.22 0.39 Allowed Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.227 177.869 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . 0.544 ' CD ' ' N ' ' A' ' 40' ' ' LEU . 90.9 Cg_exo -51.56 -38.64 65.31 Favored 'Trans proline' 0 N--CA 1.458 -0.614 0 C-N-CA 121.705 1.603 . . . . 0.0 111.214 179.255 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 88.0 m -80.15 -40.19 27.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.191 177.305 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 62.5 tp -54.7 -42.46 71.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.253 178.708 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 85.9 mtm180 -66.43 -28.62 68.75 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.173 -177.636 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -82.25 -34.79 28.65 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.187 174.914 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . . . -72.9 -46.2 54.0 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.196 -177.38 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.43 HD13 HD13 ' B' ' 47' ' ' LEU . 45.3 tp -72.92 -50.05 25.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.212 -177.52 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 59.5 ttp -50.02 -45.19 51.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.193 176.785 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 89.2 tt0 -59.51 -52.49 65.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.206 -175.582 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 33.2 m -75.92 -26.6 17.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.23 -171.019 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.444 ' O ' HG22 ' A' ' 55' ' ' VAL . 62.4 mt -60.33 -45.33 93.8 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.178 174.233 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 61.0 p -64.42 -22.39 66.94 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.21 -178.143 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -82.62 -29.92 29.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.193 -179.491 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 18.6 m-30 -86.21 -35.16 20.21 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.161 -174.005 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.444 HG22 ' O ' ' A' ' 51' ' ' LEU . 11.2 m -99.96 0.06 10.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.207 -174.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 77.6 m-20 63.07 59.92 1.26 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.253 173.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 24.3 m -139.37 166.95 20.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.203 173.778 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 85.3 p -76.61 169.33 18.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.218 165.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 95.7 mt -71.18 -21.08 62.2 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.242 -179.868 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -67.62 -14.97 63.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.21 176.398 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 61.7 m-80 -94.32 15.46 17.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.206 179.028 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 91.9 mt -121.97 125.84 73.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.203 172.723 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 79.6 ttt180 -111.51 119.46 38.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.177 -178.556 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 76.3 mt -118.86 122.49 69.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.265 -176.909 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 40.4 t -123.57 133.01 54.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.169 179.232 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 66.3 tt0 -106.2 120.72 42.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.227 -178.869 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -102.65 121.59 42.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.169 175.187 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 99.7 mttt -100.26 113.69 26.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.19 -176.701 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 56.8 mm-40 -127.1 46.01 2.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.144 176.909 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 97.1 m-20 64.71 -97.28 0.05 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.196 178.676 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -81.22 -21.15 63.22 Favored Glycine 0 CA--C 1.523 0.535 0 N-CA-C 111.209 -0.756 . . . . 0.0 111.209 -177.692 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 54.0 tpp -101.69 131.57 47.87 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.744 0.307 . . . . 0.0 111.184 173.148 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 63.2 t0 -135.23 113.01 10.9 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.205 175.891 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 99.0 t -113.5 124.3 70.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.252 -172.037 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.403 ' HB2' ' HB ' ' A' ' 26' ' ' ILE . 53.3 mt -100.37 135.39 41.88 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.244 173.518 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 68.6 tt0 -111.78 114.05 26.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.18 174.39 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.484 ' HB2' ' HB ' ' A' ' 24' ' ' ILE . 5.9 mp -114.48 113.44 24.47 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.166 -177.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 78.3 m-20 -109.13 113.81 26.99 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.162 179.032 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 4.7 mp -117.79 123.95 72.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.201 -172.825 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 95.2 m -65.72 127.52 32.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.236 174.415 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 33.9 tp . . . . . 0 C--O 1.2 -1.552 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.175 173.674 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 16' ' ' THR . . . . . . . . . . . . . 69.9 p . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.761 0.315 . . . . 0.0 111.149 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 56.7 t -63.05 -47.15 94.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.173 -174.815 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -66.05 -38.44 88.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.251 -174.609 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 42.9 mmt180 -94.4 -64.38 1.08 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.189 -173.149 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 20' ' ' ASP . . . . . 0.452 ' HB2' ' HG2' ' A' ' 32' ' ' GLN . 46.8 t0 -79.03 123.94 27.8 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.259 -168.774 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 21' ' ' ARG . . . . . . . . . . . . . 41.1 ptt180 -141.61 154.35 45.35 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.177 178.812 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 88.6 mt -109.31 137.73 46.74 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.217 177.822 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 66.9 tt0 -124.67 110.46 14.42 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.202 174.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 24' ' ' ILE . . . . . 0.484 ' HB ' ' HB2' ' B' ' 77' ' ' LEU . 76.0 mt -113.0 115.46 49.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.196 -178.731 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 25' ' ' ILE . . . . . 0.4 ' O ' ' HA ' ' A' ' 24' ' ' ILE . 46.0 mm -109.78 117.39 54.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.232 -177.834 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 26' ' ' ILE . . . . . 0.412 ' HB ' ' HB2' ' B' ' 75' ' ' LEU . 74.1 mt -108.44 106.46 20.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.209 -178.654 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -114.5 109.63 18.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.21 -172.488 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 28' ' ' GLN . . . . . . . . . . . . . 66.7 tt0 -86.47 121.14 28.61 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.198 171.371 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 29' ' ' GLU . . . . . 0.433 ' HG2' ' HG3' ' B' ' 30' ' ' ARG . 88.5 tt0 -110.27 129.03 55.81 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.183 -177.92 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 30' ' ' ARG . . . . . 0.433 ' HG3' ' HG2' ' B' ' 29' ' ' GLU . 99.8 mtt180 63.13 56.93 1.68 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.253 -179.491 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -62.66 123.71 19.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.164 -172.613 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 32' ' ' GLN . . . . . 0.447 ' HG2' ' HB2' ' A' ' 20' ' ' ASP . 95.5 mm-40 -108.29 163.06 13.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.193 174.741 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -111.94 23.6 13.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.238 -177.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -89.34 -0.54 79.76 Favored Glycine 0 CA--C 1.523 0.555 0 N-CA-C 111.152 -0.779 . . . . 0.0 111.152 -178.097 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 35' ' ' GLN . . . . . . . . . . . . . 79.3 mm-40 -118.04 -177.47 3.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.866 0.365 . . . . 0.0 111.2 -178.601 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 36' ' ' THR . . . . . . . . . . . . . 86.0 m -54.26 125.32 50.26 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.22 -176.788 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 87.6 Cg_exo -55.3 -38.5 93.72 Favored 'Trans proline' 0 N--CA 1.459 -0.531 0 C-N-CA 121.731 1.62 . . . . 0.0 111.183 -176.637 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 42.4 t0 -107.88 98.37 7.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.224 -176.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 39' ' ' TYR . . . . . 0.451 ' N ' ' CD2' ' B' ' 39' ' ' TYR . 1.8 p90 -133.04 -31.77 1.26 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.199 -176.265 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 40' ' ' LEU . . . . . 0.539 ' N ' ' CD ' ' B' ' 41' ' ' PRO . 86.7 mt -91.12 -43.22 0.39 Allowed Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.227 177.869 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 41' ' ' PRO . . . . . 0.539 ' CD ' ' N ' ' B' ' 40' ' ' LEU . 90.9 Cg_exo -51.56 -38.64 65.31 Favored 'Trans proline' 0 N--CA 1.458 -0.614 0 C-N-CA 121.705 1.603 . . . . 0.0 111.214 179.255 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 88.0 m -80.15 -40.19 27.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.191 177.305 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 62.5 tp -54.7 -42.46 71.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.253 178.708 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 44' ' ' ARG . . . . . . . . . . . . . 85.9 mtm180 -66.43 -28.62 68.75 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.173 -177.636 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 45' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -82.25 -34.79 28.65 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.187 174.914 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . . . -72.9 -46.2 54.0 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.196 -177.38 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 47' ' ' LEU . . . . . 0.43 HD13 HD13 ' A' ' 47' ' ' LEU . 45.3 tp -72.92 -50.05 25.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.212 -177.52 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 48' ' ' MET . . . . . . . . . . . . . 59.5 ttp -50.02 -45.19 51.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.193 176.785 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 89.2 tt0 -59.51 -52.49 65.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.206 -175.582 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 50' ' ' VAL . . . . . . . . . . . . . 33.2 m -75.92 -26.6 17.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.23 -171.019 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 51' ' ' LEU . . . . . 0.444 ' O ' HG22 ' B' ' 55' ' ' VAL . 62.4 mt -60.33 -45.33 93.8 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.178 174.233 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 61.0 p -64.42 -22.39 66.94 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.21 -178.143 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -82.62 -29.92 29.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.193 -179.491 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 18.6 m-30 -86.21 -35.16 20.21 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.161 -174.005 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 55' ' ' VAL . . . . . 0.444 HG22 ' O ' ' B' ' 51' ' ' LEU . 11.2 m -99.96 0.06 10.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.207 -174.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 56' ' ' ASN . . . . . . . . . . . . . 77.6 m-20 63.07 59.92 1.26 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.253 173.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 24.3 m -139.37 166.95 20.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.203 173.778 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 58' ' ' SER . . . . . . . . . . . . . 85.3 p -76.61 169.33 18.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.218 165.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 95.7 mt -71.18 -21.08 62.2 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.242 -179.868 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -67.62 -14.97 63.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.21 176.398 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 61' ' ' ASN . . . . . . . . . . . . . 61.7 m-80 -94.32 15.46 17.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.206 179.028 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 62' ' ' ILE . . . . . . . . . . . . . 91.9 mt -121.97 125.84 73.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.203 172.723 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 63' ' ' ARG . . . . . . . . . . . . . 79.6 ttt180 -111.51 119.46 38.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.177 -178.556 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 64' ' ' ILE . . . . . . . . . . . . . 76.3 mt -118.86 122.49 69.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.265 -176.909 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 40.4 t -123.57 133.01 54.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.169 179.232 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 66.3 tt0 -106.2 120.72 42.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.227 -178.869 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -102.65 121.59 42.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.169 175.187 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 68' ' ' LYS . . . . . . . . . . . . . 99.7 mttt -100.26 113.69 26.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.19 -176.701 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 69' ' ' GLN . . . . . . . . . . . . . 56.8 mm-40 -127.1 46.01 2.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.144 176.909 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 97.1 m-20 64.71 -97.28 0.05 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.196 178.676 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 71' ' ' GLY . . . . . . . . . . . . . . . -81.22 -21.15 63.22 Favored Glycine 0 CA--C 1.523 0.535 0 N-CA-C 111.209 -0.756 . . . . 0.0 111.209 -177.692 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 72' ' ' MET . . . . . . . . . . . . . 54.0 tpp -101.69 131.57 47.87 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.744 0.307 . . . . 0.0 111.184 173.148 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 73' ' ' ASP . . . . . . . . . . . . . 63.2 t0 -135.23 113.01 10.9 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.205 175.891 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 74' ' ' VAL . . . . . . . . . . . . . 99.0 t -113.5 124.3 70.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.252 -172.037 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 75' ' ' LEU . . . . . 0.412 ' HB2' ' HB ' ' B' ' 26' ' ' ILE . 53.3 mt -100.37 135.39 41.88 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.244 173.518 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 68.6 tt0 -111.78 114.05 26.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.18 174.39 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 77' ' ' LEU . . . . . 0.484 ' HB2' ' HB ' ' B' ' 24' ' ' ILE . 5.9 mp -114.48 113.44 24.47 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.166 -177.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 78' ' ' ASN . . . . . . . . . . . . . 78.3 m-20 -109.13 113.81 26.99 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.162 179.032 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 79' ' ' ILE . . . . . . . . . . . . . 4.7 mp -117.79 123.95 72.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.201 -172.825 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 80' ' ' THR . . . . . . . . . . . . . 95.2 m -65.72 127.52 32.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.236 174.415 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 33.9 tp . . . . . 0 C--O 1.2 -1.552 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.175 173.674 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 78.6 m . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.797 0.332 . . . . 0.0 111.169 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.857 ' O ' HG12 ' A' ' 17' ' ' VAL . 74.3 t -141.55 32.24 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.178 177.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -75.9 -58.52 3.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.195 177.059 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 66.8 mtp180 -74.32 -20.76 60.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.185 176.806 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . 0.517 ' HA ' ' HB3' ' A' ' 81' ' ' LEU . 95.8 m-20 -73.41 -30.96 63.58 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.268 -0.423 . . . . 0.0 111.201 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 43.7 ttm180 -134.64 97.38 3.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.163 -178.606 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 83.4 mt -109.97 128.79 55.6 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.182 174.863 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 36.1 tt0 -122.68 127.59 49.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.217 -178.748 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 4.8 mp -117.92 122.13 69.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.15 179.33 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.471 ' HB ' ' HB ' ' B' ' 25' ' ' ILE . 85.3 mt -117.81 119.27 61.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.136 -179.637 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.431 ' HB ' ' HB3' ' A' ' 75' ' ' LEU . 38.8 mm -110.67 114.45 47.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.226 175.721 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -99.09 131.81 44.86 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.245 -178.061 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 97.2 mt-30 -131.98 86.19 2.31 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.189 179.498 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -69.9 156.4 39.13 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.203 -176.554 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 39.97 72.41 0.15 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.163 179.789 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -128.15 144.75 51.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.216 -173.422 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 99.3 mm-40 -106.38 170.7 7.77 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.13 178.822 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -100.28 -14.13 18.56 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.233 -172.465 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -140.09 -24.24 0.28 Allowed Glycine 0 CA--C 1.524 0.609 0 N-CA-C 111.203 -0.759 . . . . 0.0 111.203 -177.008 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 73.3 tp60 -81.6 -38.04 26.68 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.804 0.335 . . . . 0.0 111.19 175.497 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 97.4 m -88.72 128.49 52.29 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.193 177.201 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 60.6 Cg_endo -70.56 139.81 38.28 Favored 'Trans proline' 0 N--CA 1.458 -0.609 0 C-N-CA 121.694 1.596 . . . . 0.0 111.184 179.255 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 64.8 t0 -96.86 108.8 21.56 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.224 -173.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 41.7 m-85 -109.06 13.21 24.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.254 -177.867 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.606 ' N ' ' CD ' ' A' ' 41' ' ' PRO . 94.8 mt -70.58 -39.51 9.53 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.208 -178.206 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . 0.606 ' CD ' ' N ' ' A' ' 40' ' ' LEU . 87.4 Cg_exo -52.44 -36.35 69.31 Favored 'Trans proline' 0 N--CA 1.458 -0.577 0 C-N-CA 121.769 1.646 . . . . 0.0 111.159 177.609 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 96.9 m -71.32 -43.11 67.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.23 -178.708 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 79.3 mt -61.19 -41.46 96.85 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.197 177.242 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 84.8 mtm180 -65.9 -39.99 91.12 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.222 -179.156 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -66.2 -41.45 90.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.199 175.892 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . . . -61.89 -42.68 99.36 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.204 178.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 84.0 mt -63.4 -33.55 75.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.197 -179.813 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 93.8 mmm -69.51 -27.52 65.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.142 176.334 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 99.8 mt-10 -83.55 -39.38 20.48 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.201 175.503 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 72.3 t -77.93 -82.0 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.14 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.47 ' O ' HG22 ' A' ' 55' ' ' VAL . 87.6 mt -73.34 -44.75 58.24 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.168 -163.254 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' SER . . . . . 0.422 ' OG ' ' O ' ' A' ' 57' ' ' VAL . 38.0 t -55.64 -40.44 72.2 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.124 -176.939 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -77.05 -22.61 52.67 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.218 178.835 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 4.5 m-30 -76.77 -29.09 55.93 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.149 179.021 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.47 HG22 ' O ' ' A' ' 51' ' ' LEU . 31.7 m -113.82 -8.65 12.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.185 -175.932 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 85.0 m-20 62.59 60.49 1.34 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.24 179.443 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.426 HG23 HG23 ' A' ' 55' ' ' VAL . 64.3 t -126.72 137.01 59.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.225 177.103 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 69.6 p -79.04 162.08 26.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.246 -174.897 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 35.2 tp -59.4 -32.2 69.95 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.252 175.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -68.43 -31.62 71.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.191 179.346 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 67.2 m-80 -92.56 18.56 8.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.275 176.614 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 95.2 mt -121.91 130.24 74.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.205 171.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 79.7 ttt180 -97.18 122.69 40.47 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.213 -177.174 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 79.2 mt -123.62 121.89 63.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.205 -178.076 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 93.8 p -148.25 162.04 40.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.185 178.093 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 84.9 mt-30 -125.71 152.35 45.42 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.175 178.501 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -135.9 127.0 27.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.223 -177.438 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -105.04 120.86 42.53 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.19 178.095 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 65.2 mm-40 -127.95 116.52 20.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.183 177.159 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 86.8 m-20 62.53 -100.99 0.1 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.186 -175.905 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -128.77 30.92 3.65 Favored Glycine 0 CA--C 1.523 0.568 0 N-CA-C 111.242 -0.743 . . . . 0.0 111.242 173.357 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 67.1 ttp -119.89 129.27 54.29 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.829 0.347 . . . . 0.0 111.166 -178.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 92.9 m-20 -101.04 132.19 46.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.162 176.738 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 86.6 t -120.4 130.29 74.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.179 179.71 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.431 ' HB3' ' HB ' ' A' ' 26' ' ' ILE . 52.3 tp -105.34 126.09 51.72 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.192 172.311 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 74.1 tt0 -121.33 123.9 43.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.21 -178.176 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 4.8 mp -119.88 136.97 54.29 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.211 172.47 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 71.3 m-80 -126.24 110.86 13.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.186 177.234 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 75.9 mt -98.9 115.23 38.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.172 -177.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 98.1 m -107.9 126.25 52.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.247 -174.296 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.517 ' HB3' ' HA ' ' A' ' 20' ' ' ASP . 54.8 tp . . . . . 0 C--O 1.201 -1.488 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.213 178.015 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 16' ' ' THR . . . . . . . . . . . . . 78.6 m . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.797 0.332 . . . . 0.0 111.169 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 17' ' ' VAL . . . . . 0.849 ' O ' HG12 ' B' ' 17' ' ' VAL . 74.3 t -141.55 32.24 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.178 177.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -75.9 -58.52 3.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.195 177.059 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 66.8 mtp180 -74.32 -20.76 60.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.185 176.806 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 20' ' ' ASP . . . . . 0.512 ' HA ' ' HB3' ' B' ' 81' ' ' LEU . 95.8 m-20 -73.41 -30.96 63.58 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.268 -0.423 . . . . 0.0 111.201 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 21' ' ' ARG . . . . . . . . . . . . . 43.7 ttm180 -134.64 97.38 3.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.163 -178.606 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 83.4 mt -109.97 128.79 55.6 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.182 174.863 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 36.1 tt0 -122.68 127.59 49.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.217 -178.748 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 24' ' ' ILE . . . . . . . . . . . . . 4.8 mp -117.92 122.13 69.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.15 179.33 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 25' ' ' ILE . . . . . 0.471 ' HB ' ' HB ' ' A' ' 25' ' ' ILE . 85.3 mt -117.81 119.27 61.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.136 -179.637 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 26' ' ' ILE . . . . . 0.439 ' HB ' ' HB3' ' B' ' 75' ' ' LEU . 38.8 mm -110.67 114.45 47.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.226 175.721 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -99.09 131.81 44.86 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.245 -178.061 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 28' ' ' GLN . . . . . . . . . . . . . 97.2 mt-30 -131.98 86.19 2.31 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.189 179.498 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -69.9 156.4 39.13 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.203 -176.554 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 39.97 72.41 0.15 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.163 179.789 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -128.15 144.75 51.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.216 -173.422 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 99.3 mm-40 -106.38 170.7 7.77 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.13 178.822 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -100.28 -14.13 18.56 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.233 -172.465 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -140.09 -24.24 0.28 Allowed Glycine 0 CA--C 1.524 0.609 0 N-CA-C 111.203 -0.759 . . . . 0.0 111.203 -177.008 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 35' ' ' GLN . . . . . . . . . . . . . 73.3 tp60 -81.6 -38.04 26.68 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.804 0.335 . . . . 0.0 111.19 175.497 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 36' ' ' THR . . . . . . . . . . . . . 97.4 m -88.72 128.49 52.29 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.193 177.201 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 60.6 Cg_endo -70.56 139.81 38.28 Favored 'Trans proline' 0 N--CA 1.458 -0.609 0 C-N-CA 121.694 1.596 . . . . 0.0 111.184 179.255 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 64.8 t0 -96.86 108.8 21.56 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.224 -173.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 39' ' ' TYR . . . . . . . . . . . . . 41.7 m-85 -109.06 13.21 24.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.254 -177.867 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 40' ' ' LEU . . . . . 0.611 ' N ' ' CD ' ' B' ' 41' ' ' PRO . 94.8 mt -70.58 -39.51 9.53 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.208 -178.206 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 41' ' ' PRO . . . . . 0.611 ' CD ' ' N ' ' B' ' 40' ' ' LEU . 87.4 Cg_exo -52.44 -36.35 69.31 Favored 'Trans proline' 0 N--CA 1.458 -0.577 0 C-N-CA 121.769 1.646 . . . . 0.0 111.159 177.609 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 96.9 m -71.32 -43.11 67.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.23 -178.708 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 79.3 mt -61.19 -41.46 96.85 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.197 177.242 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 44' ' ' ARG . . . . . . . . . . . . . 84.8 mtm180 -65.9 -39.99 91.12 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.222 -179.156 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 45' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -66.2 -41.45 90.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.199 175.892 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . . . -61.89 -42.68 99.36 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.204 178.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 84.0 mt -63.4 -33.55 75.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.197 -179.813 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 48' ' ' MET . . . . . . . . . . . . . 93.8 mmm -69.51 -27.52 65.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.142 176.334 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 99.8 mt-10 -83.55 -39.38 20.48 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.201 175.503 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 50' ' ' VAL . . . . . . . . . . . . . 72.3 t -77.93 -82.0 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.14 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 51' ' ' LEU . . . . . 0.456 ' O ' HG22 ' B' ' 55' ' ' VAL . 87.6 mt -73.34 -44.75 58.24 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.168 -163.254 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 52' ' ' SER . . . . . 0.428 ' OG ' ' O ' ' B' ' 57' ' ' VAL . 38.0 t -55.64 -40.44 72.2 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.124 -176.939 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -77.05 -22.61 52.67 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.218 178.835 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 54' ' ' TYR . . . . . 0.412 ' HD1' ' HA ' ' B' ' 54' ' ' TYR . 4.5 m-30 -76.77 -29.09 55.93 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.149 179.021 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 55' ' ' VAL . . . . . 0.456 HG22 ' O ' ' B' ' 51' ' ' LEU . 31.7 m -113.82 -8.65 12.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.185 -175.932 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 56' ' ' ASN . . . . . . . . . . . . . 85.0 m-20 62.59 60.49 1.34 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.24 179.443 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 57' ' ' VAL . . . . . 0.428 ' O ' ' OG ' ' B' ' 52' ' ' SER . 64.3 t -126.72 137.01 59.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.225 177.103 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 58' ' ' SER . . . . . . . . . . . . . 69.6 p -79.04 162.08 26.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.246 -174.897 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 35.2 tp -59.4 -32.2 69.95 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.252 175.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -68.43 -31.62 71.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.191 179.346 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 61' ' ' ASN . . . . . . . . . . . . . 67.2 m-80 -92.56 18.56 8.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.275 176.614 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 62' ' ' ILE . . . . . . . . . . . . . 95.2 mt -121.91 130.24 74.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.205 171.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 63' ' ' ARG . . . . . . . . . . . . . 79.7 ttt180 -97.18 122.69 40.47 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.213 -177.174 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 64' ' ' ILE . . . . . . . . . . . . . 79.2 mt -123.62 121.89 63.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.205 -178.076 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 93.8 p -148.25 162.04 40.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.185 178.093 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 84.9 mt-30 -125.71 152.35 45.42 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.175 178.501 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -135.9 127.0 27.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.223 -177.438 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 68' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -105.04 120.86 42.53 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.19 178.095 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 69' ' ' GLN . . . . . . . . . . . . . 65.2 mm-40 -127.95 116.52 20.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.183 177.159 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 86.8 m-20 62.53 -100.99 0.1 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.186 -175.905 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 71' ' ' GLY . . . . . . . . . . . . . . . -128.77 30.92 3.65 Favored Glycine 0 CA--C 1.523 0.568 0 N-CA-C 111.242 -0.743 . . . . 0.0 111.242 173.357 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 72' ' ' MET . . . . . . . . . . . . . 67.1 ttp -119.89 129.27 54.29 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.829 0.347 . . . . 0.0 111.166 -178.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 73' ' ' ASP . . . . . . . . . . . . . 92.9 m-20 -101.04 132.19 46.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.162 176.738 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 74' ' ' VAL . . . . . . . . . . . . . 86.6 t -120.4 130.29 74.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.179 179.71 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 75' ' ' LEU . . . . . 0.439 ' HB3' ' HB ' ' B' ' 26' ' ' ILE . 52.3 tp -105.34 126.09 51.72 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.192 172.311 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 74.1 tt0 -121.33 123.9 43.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.21 -178.176 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 4.8 mp -119.88 136.97 54.29 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.211 172.47 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 78' ' ' ASN . . . . . . . . . . . . . 71.3 m-80 -126.24 110.86 13.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.186 177.234 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 79' ' ' ILE . . . . . . . . . . . . . 75.9 mt -98.9 115.23 38.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.172 -177.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 80' ' ' THR . . . . . . . . . . . . . 98.1 m -107.9 126.25 52.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.247 -174.296 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 81' ' ' LEU . . . . . 0.512 ' HB3' ' HA ' ' B' ' 20' ' ' ASP . 54.8 tp . . . . . 0 C--O 1.201 -1.488 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.213 178.015 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 70.5 p . . . . . 0 CA--C 1.523 -0.096 0 CA-C-O 120.84 0.352 . . . . 0.0 111.231 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 76.4 t -79.67 -53.19 13.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.137 -178.266 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -66.65 140.74 57.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.209 -175.18 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 57.1 mmm-85 -112.4 -33.91 6.04 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.219 179.286 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 97.7 m-20 -123.3 -90.87 0.56 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.26 -178.872 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 88.7 mtm180 -130.53 144.79 51.64 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.25 -168.433 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 39.0 tp -139.5 132.21 29.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.204 176.865 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 41.7 tt0 -126.16 130.28 50.69 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.216 -179.257 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 88.3 mt -120.04 127.34 75.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.25 179.226 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 83.5 mt -116.95 117.35 55.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.247 -178.669 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 82.5 mt -110.06 107.01 21.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.177 178.606 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -103.66 93.5 4.95 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.225 -173.088 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 50.4 tp60 -91.33 113.65 25.97 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.167 -179.575 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 75.5 tt0 -63.84 127.77 32.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.206 176.294 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 82.8 mtp180 -141.6 34.93 1.63 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.191 -175.679 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -83.02 -16.64 46.32 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.224 178.904 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 14.0 pm0 -70.04 -21.85 63.14 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.177 179.495 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 95.4 mt-10 51.06 43.04 29.19 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.184 176.806 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -102.81 155.3 18.28 Favored Glycine 0 CA--C 1.524 0.609 0 N-CA-C 111.155 -0.778 . . . . 0.0 111.155 -178.86 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 72.5 tp60 -70.5 109.63 4.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.856 0.36 . . . . 0.0 111.18 178.754 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 11.7 t -145.68 145.46 25.67 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.225 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 81.6 Cg_exo -53.59 133.37 53.45 Favored 'Trans proline' 0 N--CA 1.457 -0.645 0 C-N-CA 121.716 1.61 . . . . 0.0 111.173 -179.862 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 66.7 t0 -95.53 94.95 8.07 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.218 177.285 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 24.0 m-85 -114.01 38.47 2.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.137 176.656 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.601 ' N ' ' CD ' ' A' ' 41' ' ' PRO . 88.2 mt -67.65 -40.76 26.69 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.197 170.188 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . 0.601 ' CD ' ' N ' ' A' ' 40' ' ' LEU . 78.1 Cg_exo -54.89 -31.91 75.39 Favored 'Trans proline' 0 N--CA 1.458 -0.615 0 C-N-CA 121.703 1.602 . . . . 0.0 111.218 173.757 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 96.9 m -70.28 -40.52 74.27 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.223 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 96.0 mt -62.45 -34.94 77.78 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.223 174.134 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -66.09 -39.97 90.44 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.187 175.549 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -73.46 -34.4 65.37 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.184 178.633 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . . . -60.42 -49.36 77.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.197 175.569 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 84.7 mt -67.3 -36.95 82.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.197 177.336 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 62.4 ttp -52.02 -52.38 51.2 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.262 177.821 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 99.7 mt-10 -70.07 -37.48 75.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.195 -175.197 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 74.2 t -75.29 -49.04 29.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.138 -177.891 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.445 ' HA ' ' HB3' ' A' ' 54' ' ' TYR . 85.9 mt -65.51 -31.67 72.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.207 -174.09 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 39.0 t -55.1 -45.32 75.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.185 179.864 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -84.72 -28.72 26.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.164 179.208 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . 0.445 ' HB3' ' HA ' ' A' ' 51' ' ' LEU . 84.5 t80 -67.58 -47.76 68.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.17 179.585 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.469 ' O ' HG12 ' A' ' 55' ' ' VAL . 99.6 t -93.56 -10.92 9.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.195 178.935 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 63.8 t30 63.38 47.76 3.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.189 -178.224 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 35.6 m -139.65 166.19 21.36 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.248 176.873 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 60.5 p -85.36 179.25 7.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.216 176.449 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 52.1 tp -62.72 -22.68 66.71 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.223 178.042 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 98.2 m-20 -65.1 -20.55 66.52 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.207 -175.727 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 68.3 m-80 -98.1 15.45 24.19 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.22 179.557 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 87.7 mt -119.16 124.66 73.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.193 177.608 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 75.5 ttt180 -119.64 121.73 39.95 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.19 177.209 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 84.5 mt -120.94 132.27 70.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.22 -173.74 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 48.4 t -152.06 143.28 23.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.225 175.825 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 24.7 pt20 -125.53 154.35 42.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.184 -171.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 87.6 tt0 -151.03 133.55 15.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.126 175.037 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -98.99 115.44 28.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.187 -178.185 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 68.6 mm-40 -133.76 144.51 49.1 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.168 177.228 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 78.6 m-20 60.53 26.42 16.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.21 179.796 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 75.09 32.01 56.9 Favored Glycine 0 CA--C 1.522 0.506 0 N-CA-C 111.187 -0.765 . . . . 0.0 111.187 178.516 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 59.7 ttm -142.62 117.88 10.17 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.787 0.327 . . . . 0.0 111.184 -178.567 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 66.2 t0 -85.93 111.89 20.67 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.24 -176.863 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 97.5 t -106.85 124.31 62.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.202 -172.892 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 8.3 mp -102.47 127.9 49.31 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.185 179.821 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 65.1 tt0 -113.4 120.4 40.93 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.182 -179.376 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.489 ' C ' HD23 ' A' ' 77' ' ' LEU . 9.7 tt -114.94 121.02 41.88 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.189 178.181 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 73.3 m-80 -113.24 120.92 42.86 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.196 178.275 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 19.1 tt -129.7 136.9 58.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.166 -178.041 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 85.1 m -131.35 139.07 49.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.215 -174.306 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 50.7 tp . . . . . 0 C--O 1.2 -1.526 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.278 178.65 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 16' ' ' THR . . . . . . . . . . . . . 70.5 p . . . . . 0 CA--C 1.523 -0.096 0 CA-C-O 120.84 0.352 . . . . 0.0 111.231 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 76.4 t -79.67 -53.19 13.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.137 -178.266 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -66.65 140.74 57.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.209 -175.18 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 57.1 mmm-85 -112.4 -33.91 6.04 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.219 179.286 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 97.7 m-20 -123.3 -90.87 0.56 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.26 -178.872 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 21' ' ' ARG . . . . . . . . . . . . . 88.7 mtm180 -130.53 144.79 51.64 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.25 -168.433 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 39.0 tp -139.5 132.21 29.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.204 176.865 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 41.7 tt0 -126.16 130.28 50.69 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.216 -179.257 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 24' ' ' ILE . . . . . . . . . . . . . 88.3 mt -120.04 127.34 75.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.25 179.226 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 25' ' ' ILE . . . . . . . . . . . . . 83.5 mt -116.95 117.35 55.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.247 -178.669 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 82.5 mt -110.06 107.01 21.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.177 178.606 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -103.66 93.5 4.95 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.225 -173.088 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 28' ' ' GLN . . . . . . . . . . . . . 50.4 tp60 -91.33 113.65 25.97 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.167 -179.575 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 75.5 tt0 -63.84 127.77 32.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.206 176.294 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 82.8 mtp180 -141.6 34.93 1.63 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.191 -175.679 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -83.02 -16.64 46.32 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.224 178.904 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 14.0 pm0 -70.04 -21.85 63.14 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.177 179.495 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 95.4 mt-10 51.06 43.04 29.19 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.184 176.806 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -102.81 155.3 18.28 Favored Glycine 0 CA--C 1.524 0.609 0 N-CA-C 111.155 -0.778 . . . . 0.0 111.155 -178.86 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 35' ' ' GLN . . . . . . . . . . . . . 72.5 tp60 -70.5 109.63 4.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.856 0.36 . . . . 0.0 111.18 178.754 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 36' ' ' THR . . . . . . . . . . . . . 11.7 t -145.68 145.46 25.67 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.225 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 81.6 Cg_exo -53.59 133.37 53.45 Favored 'Trans proline' 0 N--CA 1.457 -0.645 0 C-N-CA 121.716 1.61 . . . . 0.0 111.173 -179.862 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 66.7 t0 -95.53 94.95 8.07 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.218 177.285 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 39' ' ' TYR . . . . . . . . . . . . . 24.0 m-85 -114.01 38.47 2.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.137 176.656 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 40' ' ' LEU . . . . . 0.59 ' N ' ' CD ' ' B' ' 41' ' ' PRO . 88.2 mt -67.65 -40.76 26.69 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.197 170.188 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 41' ' ' PRO . . . . . 0.59 ' CD ' ' N ' ' B' ' 40' ' ' LEU . 78.1 Cg_exo -54.89 -31.91 75.39 Favored 'Trans proline' 0 N--CA 1.458 -0.615 0 C-N-CA 121.703 1.602 . . . . 0.0 111.218 173.757 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 96.9 m -70.28 -40.52 74.27 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.223 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 96.0 mt -62.45 -34.94 77.78 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.223 174.134 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 44' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -66.09 -39.97 90.44 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.187 175.549 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 45' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -73.46 -34.4 65.37 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.184 178.633 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . . . -60.42 -49.36 77.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.197 175.569 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 84.7 mt -67.3 -36.95 82.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.197 177.336 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 48' ' ' MET . . . . . . . . . . . . . 62.4 ttp -52.02 -52.38 51.2 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.262 177.821 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 99.7 mt-10 -70.07 -37.48 75.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.195 -175.197 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 50' ' ' VAL . . . . . . . . . . . . . 74.2 t -75.29 -49.04 29.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.138 -177.891 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 51' ' ' LEU . . . . . 0.447 ' HA ' ' HB3' ' B' ' 54' ' ' TYR . 85.9 mt -65.51 -31.67 72.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.207 -174.09 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 39.0 t -55.1 -45.32 75.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.185 179.864 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -84.72 -28.72 26.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.164 179.208 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 54' ' ' TYR . . . . . 0.447 ' HB3' ' HA ' ' B' ' 51' ' ' LEU . 84.5 t80 -67.58 -47.76 68.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.17 179.585 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 55' ' ' VAL . . . . . 0.463 ' O ' HG12 ' B' ' 55' ' ' VAL . 99.6 t -93.56 -10.92 9.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.195 178.935 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 56' ' ' ASN . . . . . . . . . . . . . 63.8 t30 63.38 47.76 3.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.189 -178.224 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 35.6 m -139.65 166.19 21.36 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.248 176.873 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 58' ' ' SER . . . . . . . . . . . . . 60.5 p -85.36 179.25 7.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.216 176.449 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 52.1 tp -62.72 -22.68 66.71 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.223 178.042 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 98.2 m-20 -65.1 -20.55 66.52 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.207 -175.727 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 61' ' ' ASN . . . . . . . . . . . . . 68.3 m-80 -98.1 15.45 24.19 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.22 179.557 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 62' ' ' ILE . . . . . . . . . . . . . 87.7 mt -119.16 124.66 73.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.193 177.608 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 63' ' ' ARG . . . . . . . . . . . . . 75.5 ttt180 -119.64 121.73 39.95 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.19 177.209 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 64' ' ' ILE . . . . . . . . . . . . . 84.5 mt -120.94 132.27 70.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.22 -173.74 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 48.4 t -152.06 143.28 23.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.225 175.825 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 24.7 pt20 -125.53 154.35 42.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.184 -171.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 87.6 tt0 -151.03 133.55 15.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.126 175.037 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 68' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -98.99 115.44 28.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.187 -178.185 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 69' ' ' GLN . . . . . . . . . . . . . 68.6 mm-40 -133.76 144.51 49.1 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.168 177.228 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 78.6 m-20 60.53 26.42 16.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.21 179.796 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 71' ' ' GLY . . . . . . . . . . . . . . . 75.09 32.01 56.9 Favored Glycine 0 CA--C 1.522 0.506 0 N-CA-C 111.187 -0.765 . . . . 0.0 111.187 178.516 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 72' ' ' MET . . . . . . . . . . . . . 59.7 ttm -142.62 117.88 10.17 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.787 0.327 . . . . 0.0 111.184 -178.567 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 73' ' ' ASP . . . . . . . . . . . . . 66.2 t0 -85.93 111.89 20.67 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.24 -176.863 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 74' ' ' VAL . . . . . . . . . . . . . 97.5 t -106.85 124.31 62.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.202 -172.892 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 75' ' ' LEU . . . . . 0.408 ' N ' HD12 ' B' ' 75' ' ' LEU . 8.3 mp -102.47 127.9 49.31 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.185 179.821 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 65.1 tt0 -113.4 120.4 40.93 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.182 -179.376 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 77' ' ' LEU . . . . . 0.475 ' C ' HD23 ' B' ' 77' ' ' LEU . 9.7 tt -114.94 121.02 41.88 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.189 178.181 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 78' ' ' ASN . . . . . . . . . . . . . 73.3 m-80 -113.24 120.92 42.86 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.196 178.275 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 79' ' ' ILE . . . . . . . . . . . . . 19.1 tt -129.7 136.9 58.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.166 -178.041 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 80' ' ' THR . . . . . . . . . . . . . 85.1 m -131.35 139.07 49.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.215 -174.306 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 50.7 tp . . . . . 0 C--O 1.2 -1.526 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.278 178.65 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 75.7 p . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.812 0.339 . . . . 0.0 111.232 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 97.7 t -116.12 -49.82 4.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.201 178.764 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -89.9 -167.7 1.93 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.196 -179.421 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -102.61 10.0 39.0 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.176 179.266 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 97.7 m-20 -67.08 151.88 46.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.191 176.464 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 83.1 mtt85 -139.0 146.33 40.76 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.226 -173.556 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 9.3 tt -139.68 138.62 36.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.182 174.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 47.3 tt0 -134.88 136.88 42.73 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.207 -176.635 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.437 ' HB ' ' HB3' ' A' ' 77' ' ' LEU . 79.8 mt -122.19 123.58 69.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.183 177.086 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 82.1 mt -122.11 115.98 47.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.174 178.652 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 70.8 mt -128.39 130.51 69.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.23 -177.77 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -137.6 151.54 48.44 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.172 -179.257 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 33.0 tt0 -140.51 130.06 24.12 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.167 176.675 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 86.2 tt0 -64.73 120.57 12.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.203 174.347 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 73.7 mtp180 -142.77 37.57 1.46 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.159 -171.439 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -49.02 163.8 0.08 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.17 173.85 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 73.4 tp60 -54.28 -31.73 54.49 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.211 -174.776 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 99.3 mt-10 -64.12 -39.45 94.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.188 177.896 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -65.57 145.6 48.72 Favored Glycine 0 CA--C 1.523 0.566 0 N-CA-C 111.2 -0.76 . . . . 0.0 111.2 178.635 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 97.1 mm-40 -124.22 30.74 5.98 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.819 0.342 . . . . 0.0 111.23 -174.674 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 82.4 p -81.13 149.29 65.9 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.218 -176.615 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 73.8 Cg_endo -80.34 169.18 17.58 Favored 'Trans proline' 0 N--CA 1.459 -0.55 0 C-N-CA 121.697 1.598 . . . . 0.0 111.127 178.736 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 99.5 m-20 -63.03 137.55 58.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.211 177.518 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 13.8 p90 -127.14 -24.86 3.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.169 -171.462 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.572 ' N ' ' CD ' ' A' ' 41' ' ' PRO . 85.3 mt -75.32 -41.36 3.81 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.202 -173.819 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . 0.572 ' CD ' ' N ' ' A' ' 40' ' ' LEU . 99.1 Cg_exo -51.57 -40.09 64.37 Favored 'Trans proline' 0 N--CA 1.458 -0.6 0 C-N-CA 121.742 1.628 . . . . 0.0 111.199 178.105 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 98.7 m -73.77 -48.03 34.59 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.237 179.111 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 88.6 mt -64.49 -38.2 90.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.144 -178.117 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 59.8 ttp180 -52.98 -60.61 3.06 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.184 175.467 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -61.65 -37.69 84.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.206 -179.757 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . . . -67.03 -51.24 57.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.203 -178.363 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 89.4 mt -67.95 -38.07 82.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.169 -176.051 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 95.5 mtp -68.27 -34.23 75.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.212 177.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -64.88 -43.86 91.54 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.161 174.25 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 53.7 t -65.0 -45.59 94.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.19 178.638 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 88.5 mt -68.41 -32.85 73.19 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.204 179.865 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 46.6 t -57.97 -42.22 84.58 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.205 175.89 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -86.26 -26.13 25.16 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.18 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 17.2 t80 -64.25 -49.29 72.48 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.168 -176.561 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 19.3 m -122.43 15.44 5.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.19 -178.911 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 86.9 m-20 59.64 62.29 1.77 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.212 170.054 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 35.4 m -132.54 162.74 39.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.223 179.644 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 54.1 p -82.04 178.86 8.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.152 177.776 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 92.4 mt -79.1 -11.35 59.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.165 177.382 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 91.2 m-20 -86.99 -3.69 59.11 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.17 175.711 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 32.8 m120 -96.4 8.97 42.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.222 177.227 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 87.1 mt -128.62 134.3 64.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.237 -179.75 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 79.4 ttt180 -103.63 120.31 40.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.257 -177.208 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 49.8 mm -109.35 124.59 66.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.217 -179.631 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 45.8 t -121.53 93.82 4.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.148 175.323 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 61.7 tt0 -98.41 129.93 45.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.194 -179.378 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 25.4 pt-20 -154.66 164.95 37.99 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.21 179.641 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -105.11 109.92 22.1 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.194 177.221 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 72.7 tp60 -88.0 103.07 15.36 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.177 176.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 74.2 m-20 55.39 -112.58 0.72 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.203 -179.32 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -104.6 30.92 9.23 Favored Glycine 0 CA--C 1.523 0.552 0 N-CA-C 111.212 -0.755 . . . . 0.0 111.212 -175.907 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 25.6 ptp -152.85 162.05 41.78 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.829 0.347 . . . . 0.0 111.209 177.428 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 79.2 m-20 -107.24 147.27 30.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.207 178.764 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 9.5 p -146.22 141.09 21.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.254 -178.234 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 10.2 tt -131.28 130.78 43.24 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.233 178.885 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 58.9 tt0 -108.71 124.6 50.8 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.254 178.409 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.527 ' C ' HD23 ' A' ' 77' ' ' LEU . 8.8 tt -115.23 118.63 33.83 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.186 -179.273 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 76.3 m-20 -114.91 128.79 56.49 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.255 179.63 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 18.5 tt -135.08 141.55 42.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.207 177.796 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 97.4 m -99.62 129.59 45.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.202 178.619 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 7.2 mp . . . . . 0 C--O 1.199 -1.565 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.172 -177.58 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 16' ' ' THR . . . . . . . . . . . . . 75.7 p . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.812 0.339 . . . . 0.0 111.232 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 97.7 t -116.12 -49.82 4.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.201 178.764 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -89.9 -167.7 1.93 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.196 -179.421 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -102.61 10.0 39.0 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.176 179.266 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 97.7 m-20 -67.08 151.88 46.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.191 176.464 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 21' ' ' ARG . . . . . . . . . . . . . 83.1 mtt85 -139.0 146.33 40.76 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.226 -173.556 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 9.3 tt -139.68 138.62 36.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.182 174.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 47.3 tt0 -134.88 136.88 42.73 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.207 -176.635 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 24' ' ' ILE . . . . . 0.43 ' HB ' ' HB3' ' B' ' 77' ' ' LEU . 79.8 mt -122.19 123.58 69.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.183 177.086 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 25' ' ' ILE . . . . . . . . . . . . . 82.1 mt -122.11 115.98 47.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.174 178.652 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 70.8 mt -128.39 130.51 69.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.23 -177.77 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -137.6 151.54 48.44 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.172 -179.257 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 28' ' ' GLN . . . . . . . . . . . . . 33.0 tt0 -140.51 130.06 24.12 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.167 176.675 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 86.2 tt0 -64.73 120.57 12.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.203 174.347 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 73.7 mtp180 -142.77 37.57 1.46 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.159 -171.439 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -49.02 163.8 0.08 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.17 173.85 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 73.4 tp60 -54.28 -31.73 54.49 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.211 -174.776 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 99.3 mt-10 -64.12 -39.45 94.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.188 177.896 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -65.57 145.6 48.72 Favored Glycine 0 CA--C 1.523 0.566 0 N-CA-C 111.2 -0.76 . . . . 0.0 111.2 178.635 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 35' ' ' GLN . . . . . . . . . . . . . 97.1 mm-40 -124.22 30.74 5.98 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.819 0.342 . . . . 0.0 111.23 -174.674 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 36' ' ' THR . . . . . . . . . . . . . 82.4 p -81.13 149.29 65.9 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.218 -176.615 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 73.8 Cg_endo -80.34 169.18 17.58 Favored 'Trans proline' 0 N--CA 1.459 -0.55 0 C-N-CA 121.697 1.598 . . . . 0.0 111.127 178.736 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 99.5 m-20 -63.03 137.55 58.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.211 177.518 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 39' ' ' TYR . . . . . . . . . . . . . 13.8 p90 -127.14 -24.86 3.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.169 -171.462 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 40' ' ' LEU . . . . . 0.578 ' N ' ' CD ' ' B' ' 41' ' ' PRO . 85.3 mt -75.32 -41.36 3.81 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.202 -173.819 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 41' ' ' PRO . . . . . 0.578 ' CD ' ' N ' ' B' ' 40' ' ' LEU . 99.1 Cg_exo -51.57 -40.09 64.37 Favored 'Trans proline' 0 N--CA 1.458 -0.6 0 C-N-CA 121.742 1.628 . . . . 0.0 111.199 178.105 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 98.7 m -73.77 -48.03 34.59 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.237 179.111 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 88.6 mt -64.49 -38.2 90.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.144 -178.117 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 44' ' ' ARG . . . . . . . . . . . . . 59.8 ttp180 -52.98 -60.61 3.06 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.184 175.467 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 45' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -61.65 -37.69 84.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.206 -179.757 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . . . -67.03 -51.24 57.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.203 -178.363 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 89.4 mt -67.95 -38.07 82.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.169 -176.051 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 48' ' ' MET . . . . . . . . . . . . . 95.5 mtp -68.27 -34.23 75.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.212 177.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -64.88 -43.86 91.54 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.161 174.25 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 50' ' ' VAL . . . . . . . . . . . . . 53.7 t -65.0 -45.59 94.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.19 178.638 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 88.5 mt -68.41 -32.85 73.19 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.204 179.865 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 46.6 t -57.97 -42.22 84.58 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.205 175.89 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -86.26 -26.13 25.16 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.18 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 17.2 t80 -64.25 -49.29 72.48 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.168 -176.561 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 55' ' ' VAL . . . . . . . . . . . . . 19.3 m -122.43 15.44 5.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.19 -178.911 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 56' ' ' ASN . . . . . . . . . . . . . 86.9 m-20 59.64 62.29 1.77 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.212 170.054 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 35.4 m -132.54 162.74 39.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.223 179.644 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 58' ' ' SER . . . . . . . . . . . . . 54.1 p -82.04 178.86 8.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.152 177.776 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 92.4 mt -79.1 -11.35 59.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.165 177.382 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 91.2 m-20 -86.99 -3.69 59.11 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.17 175.711 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 61' ' ' ASN . . . . . . . . . . . . . 32.8 m120 -96.4 8.97 42.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.222 177.227 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 62' ' ' ILE . . . . . . . . . . . . . 87.1 mt -128.62 134.3 64.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.237 -179.75 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 63' ' ' ARG . . . . . . . . . . . . . 79.4 ttt180 -103.63 120.31 40.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.257 -177.208 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 64' ' ' ILE . . . . . . . . . . . . . 49.8 mm -109.35 124.59 66.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.217 -179.631 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 45.8 t -121.53 93.82 4.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.148 175.323 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 61.7 tt0 -98.41 129.93 45.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.194 -179.378 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 25.4 pt-20 -154.66 164.95 37.99 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.21 179.641 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 68' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -105.11 109.92 22.1 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.194 177.221 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 69' ' ' GLN . . . . . . . . . . . . . 72.7 tp60 -88.0 103.07 15.36 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.177 176.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 74.2 m-20 55.39 -112.58 0.72 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.203 -179.32 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 71' ' ' GLY . . . . . . . . . . . . . . . -104.6 30.92 9.23 Favored Glycine 0 CA--C 1.523 0.552 0 N-CA-C 111.212 -0.755 . . . . 0.0 111.212 -175.907 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 72' ' ' MET . . . . . . . . . . . . . 25.6 ptp -152.85 162.05 41.78 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.829 0.347 . . . . 0.0 111.209 177.428 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 73' ' ' ASP . . . . . . . . . . . . . 79.2 m-20 -107.24 147.27 30.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.207 178.764 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 74' ' ' VAL . . . . . . . . . . . . . 9.5 p -146.22 141.09 21.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.254 -178.234 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 75' ' ' LEU . . . . . . . . . . . . . 10.2 tt -131.28 130.78 43.24 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.233 178.885 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 58.9 tt0 -108.71 124.6 50.8 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.254 178.409 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 77' ' ' LEU . . . . . 0.515 ' C ' HD23 ' B' ' 77' ' ' LEU . 8.8 tt -115.23 118.63 33.83 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.186 -179.273 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 78' ' ' ASN . . . . . . . . . . . . . 76.3 m-20 -114.91 128.79 56.49 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.255 179.63 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 79' ' ' ILE . . . . . . . . . . . . . 18.5 tt -135.08 141.55 42.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.207 177.796 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 80' ' ' THR . . . . . . . . . . . . . 97.4 m -99.62 129.59 45.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.202 178.619 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 7.2 mp . . . . . 0 C--O 1.199 -1.565 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.172 -177.58 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 71.4 p . . . . . 0 C--O 1.23 0.078 0 CA-C-O 120.803 0.335 . . . . 0.0 111.213 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 70.5 t -65.9 -39.74 85.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.225 -177.385 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -67.1 -29.54 69.32 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.232 -175.293 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 42.6 mmt180 -94.29 -47.27 6.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.22 -173.386 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 95.5 m-20 -68.35 147.88 51.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.183 177.799 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 18.0 ptp180 -157.17 165.11 36.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.169 -174.296 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 81.5 mt -98.82 144.21 28.3 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.249 172.388 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 32.6 tt0 -128.77 117.88 21.86 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.243 179.818 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.415 HG22 HG13 ' A' ' 26' ' ' ILE . 4.8 mp -118.07 123.71 72.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.184 178.782 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 80.5 mt -112.54 109.93 30.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.202 177.56 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.415 HG13 HG22 ' A' ' 24' ' ' ILE . 85.6 mt -109.93 114.42 46.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.2 -176.809 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -107.65 125.84 51.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.156 -178.784 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 40.9 tt0 -109.35 110.02 21.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.241 170.893 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 65.2 mt-10 -69.65 159.22 33.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.206 -174.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 79.4 ttt180 -50.53 123.77 9.42 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.182 -175.191 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -67.79 141.17 56.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.216 172.279 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 90.9 mm-40 -96.74 -1.81 45.66 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.217 -177.213 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 26.7 pt-20 -156.11 165.18 37.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.201 -173.432 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -94.11 8.38 72.85 Favored Glycine 0 CA--C 1.523 0.59 0 N-CA-C 111.165 -0.774 . . . . 0.0 111.165 174.808 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 99.9 mm-40 -98.23 5.63 48.22 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.803 0.335 . . . . 0.0 111.219 179.215 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 97.8 m -120.9 99.66 46.78 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.189 175.144 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 74.7 Cg_exo -59.93 147.55 92.26 Favored 'Trans proline' 0 N--CA 1.458 -0.561 0 C-N-CA 121.719 1.612 . . . . 0.0 111.141 -177.239 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 86.8 m-20 -55.03 136.38 47.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.207 168.727 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 29.1 m-85 -117.14 -30.13 5.73 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.235 -174.167 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.564 ' HB3' ' HD3' ' A' ' 41' ' ' PRO . 10.1 tt -53.08 -44.91 98.24 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.222 -177.904 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . 0.564 ' HD3' ' HB3' ' A' ' 40' ' ' LEU . 78.9 Cg_exo -50.4 -42.39 48.43 Favored 'Trans proline' 0 N--CA 1.458 -0.579 0 C-N-CA 121.671 1.58 . . . . 0.0 111.217 178.506 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 77.4 p -83.57 -26.76 29.78 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.212 -176.234 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 95.2 mt -73.21 -30.8 63.76 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.187 177.089 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 69.8 ttp85 -62.44 -60.71 3.15 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.179 173.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -58.19 -39.26 78.48 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.205 -178.081 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . . . -67.36 -43.18 82.12 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.195 -179.8 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 51.0 tp -66.52 -41.76 88.32 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.195 178.262 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 94.6 mtp -59.93 -33.52 71.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.218 177.798 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -61.68 -46.98 87.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.217 176.709 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 29.4 m -87.44 -17.7 8.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.202 -174.678 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.452 ' O ' ' HB ' ' A' ' 55' ' ' VAL . 34.0 mt -64.49 -51.53 62.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.199 167.882 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 33.1 t -60.93 -34.9 75.42 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.163 175.605 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 83.7 tttt -71.02 -54.7 10.28 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.207 -173.898 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 47.1 m-85 -90.76 -33.42 15.74 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.184 -166.322 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.5 ' O ' HG12 ' A' ' 55' ' ' VAL . 94.5 t -81.91 -9.38 11.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.179 -172.347 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 76.9 m-20 62.28 61.68 1.26 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.233 -175.66 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 10.6 p -151.42 149.47 14.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.209 -171.461 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 59.5 p -87.01 170.75 11.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.223 179.674 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 97.0 mt -76.93 -23.13 52.45 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.156 -179.665 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 98.0 m-20 -68.89 -17.51 63.99 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.212 177.377 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 48.3 m-80 -96.72 13.11 29.54 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.195 179.703 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 77.0 mt -108.93 118.29 56.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.184 175.633 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 79.8 ttt180 -96.52 127.57 42.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.146 178.86 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 81.1 mt -114.79 116.53 52.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.214 -175.888 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 43.5 t -142.58 126.82 17.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.158 175.604 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 42.9 mt-30 -103.85 156.64 17.67 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.224 -179.225 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 71.2 tt0 -136.53 128.24 28.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.162 178.785 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -84.51 127.57 34.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.22 -179.275 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 79.2 mm-40 -127.79 76.18 1.66 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.176 172.794 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 93.2 m-20 63.41 -100.67 0.09 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.234 -178.488 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -108.69 9.58 34.88 Favored Glycine 0 CA--C 1.523 0.587 0 N-CA-C 111.19 -0.764 . . . . 0.0 111.19 -178.431 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 65.8 ttp -111.32 120.96 43.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.844 0.354 . . . . 0.0 111.194 178.451 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 62.2 t0 -94.72 113.79 25.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.166 178.888 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 95.9 t -105.58 126.85 60.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.187 -174.73 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 48.5 tp -108.82 126.75 53.37 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.241 176.453 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 67.4 tt0 -110.25 118.3 35.97 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.162 175.419 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 85.7 mt -113.39 126.88 55.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.219 177.425 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 72.6 m-80 -120.41 113.31 20.15 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.207 177.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 5.2 mp -118.82 128.07 75.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.204 -170.9 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 91.4 m -53.6 118.4 3.87 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.219 178.023 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 54.4 tp . . . . . 0 C--O 1.199 -1.555 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.201 -176.91 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 16' ' ' THR . . . . . . . . . . . . . 71.4 p . . . . . 0 C--O 1.23 0.078 0 CA-C-O 120.803 0.335 . . . . 0.0 111.213 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 70.5 t -65.9 -39.74 85.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.225 -177.385 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -67.1 -29.54 69.32 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.232 -175.293 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 42.6 mmt180 -94.29 -47.27 6.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.22 -173.386 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 95.5 m-20 -68.35 147.88 51.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.183 177.799 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 21' ' ' ARG . . . . . . . . . . . . . 18.0 ptp180 -157.17 165.11 36.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.169 -174.296 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 81.5 mt -98.82 144.21 28.3 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.249 172.388 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 32.6 tt0 -128.77 117.88 21.86 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.243 179.818 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 24' ' ' ILE . . . . . 0.404 HG22 HG13 ' B' ' 26' ' ' ILE . 4.8 mp -118.07 123.71 72.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.184 178.782 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 25' ' ' ILE . . . . . . . . . . . . . 80.5 mt -112.54 109.93 30.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.202 177.56 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 26' ' ' ILE . . . . . 0.404 HG13 HG22 ' B' ' 24' ' ' ILE . 85.6 mt -109.93 114.42 46.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.2 -176.809 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -107.65 125.84 51.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.156 -178.784 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 28' ' ' GLN . . . . . . . . . . . . . 40.9 tt0 -109.35 110.02 21.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.241 170.893 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 65.2 mt-10 -69.65 159.22 33.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.206 -174.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 79.4 ttt180 -50.53 123.77 9.42 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.182 -175.191 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -67.79 141.17 56.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.216 172.279 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 90.9 mm-40 -96.74 -1.81 45.66 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.217 -177.213 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 26.7 pt-20 -156.11 165.18 37.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.201 -173.432 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -94.11 8.38 72.85 Favored Glycine 0 CA--C 1.523 0.59 0 N-CA-C 111.165 -0.774 . . . . 0.0 111.165 174.808 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 35' ' ' GLN . . . . . . . . . . . . . 99.9 mm-40 -98.23 5.63 48.22 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.803 0.335 . . . . 0.0 111.219 179.215 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 36' ' ' THR . . . . . . . . . . . . . 97.8 m -120.9 99.66 46.78 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.189 175.144 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 74.7 Cg_exo -59.93 147.55 92.26 Favored 'Trans proline' 0 N--CA 1.458 -0.561 0 C-N-CA 121.719 1.612 . . . . 0.0 111.141 -177.239 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 86.8 m-20 -55.03 136.38 47.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.207 168.727 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 39' ' ' TYR . . . . . . . . . . . . . 29.1 m-85 -117.14 -30.13 5.73 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.235 -174.167 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 40' ' ' LEU . . . . . 0.554 ' HB3' ' HD3' ' B' ' 41' ' ' PRO . 10.1 tt -53.08 -44.91 98.24 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.222 -177.904 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 41' ' ' PRO . . . . . 0.554 ' HD3' ' HB3' ' B' ' 40' ' ' LEU . 78.9 Cg_exo -50.4 -42.39 48.43 Favored 'Trans proline' 0 N--CA 1.458 -0.579 0 C-N-CA 121.671 1.58 . . . . 0.0 111.217 178.506 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 77.4 p -83.57 -26.76 29.78 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.212 -176.234 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 95.2 mt -73.21 -30.8 63.76 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.187 177.089 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 44' ' ' ARG . . . . . . . . . . . . . 69.8 ttp85 -62.44 -60.71 3.15 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.179 173.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 45' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -58.19 -39.26 78.48 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.205 -178.081 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . . . -67.36 -43.18 82.12 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.195 -179.8 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 51.0 tp -66.52 -41.76 88.32 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.195 178.262 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 48' ' ' MET . . . . . . . . . . . . . 94.6 mtp -59.93 -33.52 71.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.218 177.798 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -61.68 -46.98 87.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.217 176.709 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 50' ' ' VAL . . . . . . . . . . . . . 29.4 m -87.44 -17.7 8.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.202 -174.678 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 51' ' ' LEU . . . . . 0.452 ' O ' ' HB ' ' B' ' 55' ' ' VAL . 34.0 mt -64.49 -51.53 62.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.199 167.882 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 33.1 t -60.93 -34.9 75.42 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.163 175.605 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 83.7 tttt -71.02 -54.7 10.28 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.207 -173.898 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 47.1 m-85 -90.76 -33.42 15.74 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.184 -166.322 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 55' ' ' VAL . . . . . 0.494 ' O ' HG12 ' B' ' 55' ' ' VAL . 94.5 t -81.91 -9.38 11.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.179 -172.347 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 56' ' ' ASN . . . . . . . . . . . . . 76.9 m-20 62.28 61.68 1.26 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.233 -175.66 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 10.6 p -151.42 149.47 14.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.209 -171.461 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 58' ' ' SER . . . . . . . . . . . . . 59.5 p -87.01 170.75 11.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.223 179.674 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 97.0 mt -76.93 -23.13 52.45 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.156 -179.665 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 98.0 m-20 -68.89 -17.51 63.99 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.212 177.377 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 61' ' ' ASN . . . . . . . . . . . . . 48.3 m-80 -96.72 13.11 29.54 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.195 179.703 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 62' ' ' ILE . . . . . . . . . . . . . 77.0 mt -108.93 118.29 56.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.184 175.633 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 63' ' ' ARG . . . . . . . . . . . . . 79.8 ttt180 -96.52 127.57 42.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.146 178.86 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 64' ' ' ILE . . . . . . . . . . . . . 81.1 mt -114.79 116.53 52.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.214 -175.888 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 43.5 t -142.58 126.82 17.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.158 175.604 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 42.9 mt-30 -103.85 156.64 17.67 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.224 -179.225 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 71.2 tt0 -136.53 128.24 28.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.162 178.785 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 68' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -84.51 127.57 34.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.22 -179.275 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 69' ' ' GLN . . . . . . . . . . . . . 79.2 mm-40 -127.79 76.18 1.66 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.176 172.794 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 93.2 m-20 63.41 -100.67 0.09 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.234 -178.488 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 71' ' ' GLY . . . . . . . . . . . . . . . -108.69 9.58 34.88 Favored Glycine 0 CA--C 1.523 0.587 0 N-CA-C 111.19 -0.764 . . . . 0.0 111.19 -178.431 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 72' ' ' MET . . . . . . . . . . . . . 65.8 ttp -111.32 120.96 43.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.844 0.354 . . . . 0.0 111.194 178.451 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 73' ' ' ASP . . . . . . . . . . . . . 62.2 t0 -94.72 113.79 25.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.166 178.888 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 74' ' ' VAL . . . . . . . . . . . . . 95.9 t -105.58 126.85 60.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.187 -174.73 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 75' ' ' LEU . . . . . . . . . . . . . 48.5 tp -108.82 126.75 53.37 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.241 176.453 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 67.4 tt0 -110.25 118.3 35.97 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.162 175.419 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 85.7 mt -113.39 126.88 55.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.219 177.425 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 78' ' ' ASN . . . . . . . . . . . . . 72.6 m-80 -120.41 113.31 20.15 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.207 177.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 79' ' ' ILE . . . . . . . . . . . . . 5.2 mp -118.82 128.07 75.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.204 -170.9 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 80' ' ' THR . . . . . . . . . . . . . 91.4 m -53.6 118.4 3.87 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.219 178.023 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 54.4 tp . . . . . 0 C--O 1.199 -1.555 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.201 -176.91 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 59.1 p . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.83 0.347 . . . . 0.0 111.187 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 34.1 m -127.8 163.86 30.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.112 -179.221 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -159.17 172.59 17.79 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.206 -179.152 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -70.75 -21.51 62.52 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.199 179.018 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 65.5 t0 -75.63 109.8 9.5 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.24 176.316 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 82.9 mtm180 -136.65 157.46 46.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.165 179.859 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 62.1 mt -117.76 145.92 44.15 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.227 178.025 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 36.2 tt0 -141.17 117.71 10.88 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.159 179.904 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 4.9 mp -120.69 118.94 58.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.198 -179.58 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 87.0 mt -109.49 121.78 63.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.196 -178.559 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 80.2 mt -107.31 114.32 45.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.214 -178.072 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -103.48 138.59 39.99 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.204 -177.718 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 86.9 mt-30 -125.1 121.64 34.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.19 175.481 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 95.5 mt-10 -81.53 163.57 22.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.182 177.596 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 47.0 mtp180 59.99 56.41 3.42 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.16 -174.336 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -86.99 163.52 17.03 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.243 -176.9 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 65.2 mt-30 59.1 34.89 23.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.174 -179.868 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -129.34 168.1 16.75 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.242 176.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -76.16 -9.03 85.62 Favored Glycine 0 CA--C 1.523 0.57 0 N-CA-C 111.2 -0.76 . . . . 0.0 111.2 171.359 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 99.9 mm-40 -98.9 0.32 43.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.734 0.302 . . . . 0.0 111.125 177.785 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 93.6 m -62.57 129.78 92.98 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.183 179.536 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 86.1 Cg_exo -52.73 136.21 58.15 Favored 'Trans proline' 0 N--CA 1.457 -0.636 0 C-N-CA 121.662 1.575 . . . . 0.0 111.232 178.119 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 52.2 p-10 -112.27 41.1 2.06 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.212 178.502 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 62.9 m-85 -116.33 3.67 13.37 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.244 -172.699 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.563 ' N ' ' CD ' ' A' ' 41' ' ' PRO . 43.3 tp -68.23 -41.52 25.78 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.224 -178.069 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . 0.563 ' CD ' ' N ' ' A' ' 40' ' ' LEU . 92.7 Cg_exo -51.67 -35.25 56.81 Favored 'Trans proline' 0 N--CA 1.459 -0.533 0 C-N-CA 121.628 1.552 . . . . 0.0 111.188 177.609 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 92.5 m -80.02 -41.91 24.83 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.231 -177.851 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 79.4 mt -61.87 -37.36 84.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.186 176.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 68.3 ttp85 -59.53 -50.67 72.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.183 174.35 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -63.49 -35.16 79.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.259 177.818 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . . . -62.43 -47.57 83.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.181 179.819 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 88.8 mt -69.45 -50.87 41.51 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.189 -179.568 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 98.0 mtp -58.52 -34.39 70.92 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.173 -175.038 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 89.1 tt0 -61.48 -53.34 57.73 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.17 178.417 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 33.3 m -82.34 -28.71 9.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.226 -170.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 84.7 mt -66.67 -40.15 88.47 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.221 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 92.0 p -66.71 -23.21 66.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.223 179.578 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -83.03 -27.38 30.37 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.207 178.859 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 22.4 m-30 -69.37 -37.83 77.76 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.205 -176.742 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 35.6 m -119.52 3.54 6.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.289 -175.377 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 86.9 m-20 58.02 61.56 2.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.204 173.763 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 32.3 m -131.32 167.66 25.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.193 175.814 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 84.7 p -74.41 169.14 18.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.138 172.416 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 96.8 mt -74.86 -15.91 60.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.26 179.795 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -71.41 -12.24 61.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.226 175.701 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 61.7 m-80 -95.19 17.05 14.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.203 178.492 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 85.9 mt -118.35 129.01 75.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.203 174.915 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . 0.408 ' HB3' ' HB2' ' A' ' 78' ' ' ASN . 79.7 ttt180 -96.19 124.69 40.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.146 -177.733 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 46.0 mm -109.98 102.94 14.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.156 -178.082 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 39.2 t -110.89 111.84 23.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.208 -175.541 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 68.9 tp60 -101.26 122.29 43.42 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.206 179.087 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -127.89 147.97 50.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.161 176.908 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -113.93 102.89 10.63 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.174 -177.386 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 96.0 mm-40 -88.88 59.92 5.26 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.14 178.074 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 90.5 m-20 63.1 -102.8 0.11 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.212 178.716 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -87.44 1.17 85.82 Favored Glycine 0 CA--C 1.522 0.528 0 N-CA-C 111.2 -0.76 . . . . 0.0 111.2 -175.702 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 68.1 ttp -131.42 130.36 42.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.773 0.32 . . . . 0.0 111.208 174.355 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 97.9 m-20 -105.44 138.04 42.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.218 174.099 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 34.8 m -124.65 147.53 29.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.173 -177.126 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 53.6 tp -131.41 115.79 16.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.219 177.614 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -102.0 122.9 44.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.177 -175.339 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 6.0 mp -112.46 112.37 23.87 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.244 -179.152 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . 0.408 ' HB2' ' HB3' ' A' ' 63' ' ' ARG . 72.7 m-80 -106.46 135.3 48.21 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.204 -179.371 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 21.6 tt -140.7 145.09 26.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.198 174.146 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 95.8 m -118.45 132.78 56.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.198 -171.258 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 55.1 tp . . . . . 0 C--O 1.199 -1.568 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.213 175.836 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 16' ' ' THR . . . . . . . . . . . . . 59.1 p . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.83 0.347 . . . . 0.0 111.187 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 34.1 m -127.8 163.86 30.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.112 -179.221 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -159.17 172.59 17.79 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.206 -179.152 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -70.75 -21.51 62.52 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.199 179.018 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 65.5 t0 -75.63 109.8 9.5 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.24 176.316 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 21' ' ' ARG . . . . . . . . . . . . . 82.9 mtm180 -136.65 157.46 46.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.165 179.859 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 62.1 mt -117.76 145.92 44.15 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.227 178.025 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 36.2 tt0 -141.17 117.71 10.88 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.159 179.904 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 24' ' ' ILE . . . . . 0.401 HD13 HD11 ' B' ' 51' ' ' LEU . 4.9 mp -120.69 118.94 58.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.198 -179.58 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 25' ' ' ILE . . . . . . . . . . . . . 87.0 mt -109.49 121.78 63.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.196 -178.559 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 80.2 mt -107.31 114.32 45.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.214 -178.072 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -103.48 138.59 39.99 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.204 -177.718 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 28' ' ' GLN . . . . . . . . . . . . . 86.9 mt-30 -125.1 121.64 34.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.19 175.481 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 95.5 mt-10 -81.53 163.57 22.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.182 177.596 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 47.0 mtp180 59.99 56.41 3.42 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.16 -174.336 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -86.99 163.52 17.03 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.243 -176.9 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 65.2 mt-30 59.1 34.89 23.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.174 -179.868 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -129.34 168.1 16.75 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.242 176.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -76.16 -9.03 85.62 Favored Glycine 0 CA--C 1.523 0.57 0 N-CA-C 111.2 -0.76 . . . . 0.0 111.2 171.359 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 35' ' ' GLN . . . . . . . . . . . . . 99.9 mm-40 -98.9 0.32 43.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.734 0.302 . . . . 0.0 111.125 177.785 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 36' ' ' THR . . . . . . . . . . . . . 93.6 m -62.57 129.78 92.98 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.183 179.536 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 86.1 Cg_exo -52.73 136.21 58.15 Favored 'Trans proline' 0 N--CA 1.457 -0.636 0 C-N-CA 121.662 1.575 . . . . 0.0 111.232 178.119 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 52.2 p-10 -112.27 41.1 2.06 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.212 178.502 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 39' ' ' TYR . . . . . . . . . . . . . 62.9 m-85 -116.33 3.67 13.37 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.244 -172.699 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 40' ' ' LEU . . . . . 0.576 ' N ' ' CD ' ' B' ' 41' ' ' PRO . 43.3 tp -68.23 -41.52 25.78 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.224 -178.069 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 41' ' ' PRO . . . . . 0.576 ' CD ' ' N ' ' B' ' 40' ' ' LEU . 92.7 Cg_exo -51.67 -35.25 56.81 Favored 'Trans proline' 0 N--CA 1.459 -0.533 0 C-N-CA 121.628 1.552 . . . . 0.0 111.188 177.609 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 92.5 m -80.02 -41.91 24.83 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.231 -177.851 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 79.4 mt -61.87 -37.36 84.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.186 176.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 44' ' ' ARG . . . . . . . . . . . . . 68.3 ttp85 -59.53 -50.67 72.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.183 174.35 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 45' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -63.49 -35.16 79.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.259 177.818 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . . . -62.43 -47.57 83.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.181 179.819 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 88.8 mt -69.45 -50.87 41.51 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.189 -179.568 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 48' ' ' MET . . . . . . . . . . . . . 98.0 mtp -58.52 -34.39 70.92 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.173 -175.038 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 89.1 tt0 -61.48 -53.34 57.73 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.17 178.417 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 50' ' ' VAL . . . . . . . . . . . . . 33.3 m -82.34 -28.71 9.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.226 -170.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 51' ' ' LEU . . . . . 0.401 HD11 HD13 ' B' ' 24' ' ' ILE . 84.7 mt -66.67 -40.15 88.47 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.221 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 92.0 p -66.71 -23.21 66.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.223 179.578 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -83.03 -27.38 30.37 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.207 178.859 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 22.4 m-30 -69.37 -37.83 77.76 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.205 -176.742 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 55' ' ' VAL . . . . . . . . . . . . . 35.6 m -119.52 3.54 6.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.289 -175.377 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 56' ' ' ASN . . . . . . . . . . . . . 86.9 m-20 58.02 61.56 2.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.204 173.763 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 32.3 m -131.32 167.66 25.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.193 175.814 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 58' ' ' SER . . . . . . . . . . . . . 84.7 p -74.41 169.14 18.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.138 172.416 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 96.8 mt -74.86 -15.91 60.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.26 179.795 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -71.41 -12.24 61.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.226 175.701 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 61' ' ' ASN . . . . . . . . . . . . . 61.7 m-80 -95.19 17.05 14.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.203 178.492 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 62' ' ' ILE . . . . . . . . . . . . . 85.9 mt -118.35 129.01 75.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.203 174.915 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 63' ' ' ARG . . . . . 0.409 ' HB3' ' HB2' ' B' ' 78' ' ' ASN . 79.7 ttt180 -96.19 124.69 40.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.146 -177.733 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 64' ' ' ILE . . . . . . . . . . . . . 46.0 mm -109.98 102.94 14.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.156 -178.082 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 39.2 t -110.89 111.84 23.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.208 -175.541 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 68.9 tp60 -101.26 122.29 43.42 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.206 179.087 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -127.89 147.97 50.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.161 176.908 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 68' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -113.93 102.89 10.63 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.174 -177.386 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 69' ' ' GLN . . . . . . . . . . . . . 96.0 mm-40 -88.88 59.92 5.26 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.14 178.074 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 90.5 m-20 63.1 -102.8 0.11 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.212 178.716 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 71' ' ' GLY . . . . . . . . . . . . . . . -87.44 1.17 85.82 Favored Glycine 0 CA--C 1.522 0.528 0 N-CA-C 111.2 -0.76 . . . . 0.0 111.2 -175.702 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 72' ' ' MET . . . . . . . . . . . . . 68.1 ttp -131.42 130.36 42.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.773 0.32 . . . . 0.0 111.208 174.355 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 73' ' ' ASP . . . . . . . . . . . . . 97.9 m-20 -105.44 138.04 42.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.218 174.099 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 74' ' ' VAL . . . . . . . . . . . . . 34.8 m -124.65 147.53 29.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.173 -177.126 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 75' ' ' LEU . . . . . . . . . . . . . 53.6 tp -131.41 115.79 16.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.219 177.614 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -102.0 122.9 44.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.177 -175.339 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 6.0 mp -112.46 112.37 23.87 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.244 -179.152 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 78' ' ' ASN . . . . . 0.409 ' HB2' ' HB3' ' B' ' 63' ' ' ARG . 72.7 m-80 -106.46 135.3 48.21 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.204 -179.371 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 79' ' ' ILE . . . . . . . . . . . . . 21.6 tt -140.7 145.09 26.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.198 174.146 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 80' ' ' THR . . . . . . . . . . . . . 95.8 m -118.45 132.78 56.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.198 -171.258 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 55.1 tp . . . . . 0 C--O 1.199 -1.568 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.213 175.836 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 95.3 m . . . . . 0 C--O 1.231 0.085 0 CA-C-O 120.841 0.353 . . . . 0.0 111.235 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 91.3 t -106.94 128.85 61.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.152 -176.899 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -122.38 179.61 4.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.154 178.44 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -75.33 65.36 1.63 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.233 177.402 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 61.4 t0 -151.96 118.29 5.61 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.198 -176.03 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 85.3 mtp180 -124.24 141.87 51.71 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.189 -176.589 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 5.2 mp -120.09 143.5 48.1 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.205 -179.091 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 92.9 mm-40 -119.94 128.13 53.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.215 171.901 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.485 ' HB ' ' HB2' ' A' ' 77' ' ' LEU . 68.8 mt -114.54 108.36 25.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.17 171.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 43.9 mm -100.4 114.63 39.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.222 -179.288 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.416 ' HB ' ' HB2' ' A' ' 75' ' ' LEU . 36.0 mm -104.09 100.05 9.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.159 178.43 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -109.17 109.82 20.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.269 -176.638 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 66.3 tt0 -103.43 101.63 11.53 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.214 178.194 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -93.48 133.34 36.86 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.219 -173.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 60.25 54.67 3.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.215 -174.298 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -62.3 116.64 5.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.186 -170.017 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 95.4 mm-40 -106.33 -39.26 5.97 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.155 176.035 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 79.4 mm-40 -92.97 -10.8 35.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.219 176.179 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -80.55 -4.06 90.12 Favored Glycine 0 CA--C 1.523 0.532 0 N-CA-C 111.203 -0.759 . . . . 0.0 111.203 176.797 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 77.6 mt-30 -80.41 -7.18 59.02 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.848 0.356 . . . . 0.0 111.234 175.774 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 96.4 m -106.78 128.58 25.87 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.154 -179.074 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . 0.435 ' O ' ' HB2' ' A' ' 38' ' ' ASP . 74.6 Cg_exo -53.87 150.28 30.59 Favored 'Trans proline' 0 N--CA 1.459 -0.549 0 C-N-CA 121.735 1.623 . . . . 0.0 111.167 177.707 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . 0.435 ' HB2' ' O ' ' A' ' 37' ' ' PRO . 70.5 m-20 68.31 31.22 5.21 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.198 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 61.1 t80 -95.38 -72.45 0.63 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.197 164.727 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.58 ' N ' ' CD ' ' A' ' 41' ' ' PRO . 85.6 mt -68.27 -40.57 21.27 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.203 178.772 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . 0.58 ' CD ' ' N ' ' A' ' 40' ' ' LEU . 74.6 Cg_exo -50.77 -33.36 40.31 Favored 'Trans proline' 0 N--CA 1.458 -0.607 0 C-N-CA 121.7 1.6 . . . . 0.0 111.192 179.207 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 82.7 p -87.71 -26.62 22.86 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.19 -175.822 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 97.1 mt -75.39 -31.64 60.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.173 171.9 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 81.1 mtp180 -65.18 -43.13 92.67 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.216 173.893 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -69.72 -31.43 69.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.223 175.294 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . . . -64.54 -48.87 73.46 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.138 176.505 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 90.7 mt -61.31 -35.79 78.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.248 177.696 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 60.1 ttp -59.0 -49.76 76.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.239 175.298 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -66.68 -40.05 88.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.259 -177.887 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 53.0 t -63.37 -51.2 73.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.148 177.764 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 80.9 mt -62.97 -35.94 81.82 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.156 -179.148 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 68.2 m -73.98 -34.06 64.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.142 179.425 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 83.0 tttt -74.25 -61.99 1.67 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.203 -177.276 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 89.6 m-85 -83.14 -40.04 20.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.205 -163.795 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 34.7 m -118.72 9.78 6.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.214 -171.597 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 87.4 m-20 56.21 50.07 14.17 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.178 167.177 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.411 HG11 HG23 ' A' ' 79' ' ' ILE . 71.4 t -109.89 140.05 30.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.232 175.213 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 83.0 p -89.95 162.58 15.34 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.161 -175.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 39.4 tp -61.56 -30.06 70.41 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.178 174.473 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -68.18 -37.41 80.92 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.198 177.443 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 94.6 m-20 -77.49 -3.71 41.87 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.183 178.31 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 70.3 mt -108.91 117.03 53.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.166 177.236 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 79.4 ttt180 -109.84 117.22 33.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.191 175.741 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.419 HG12 ' HG ' ' A' ' 77' ' ' LEU . 86.6 mt -105.55 117.62 51.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.157 -176.309 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 39.9 t -111.34 116.53 31.14 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.261 178.049 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 66.2 tt0 -91.18 116.2 28.63 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.222 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -115.71 140.42 49.21 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.155 179.62 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -102.79 112.98 26.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.185 -179.671 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . 0.545 ' O ' ' HB3' ' A' ' 70' ' ' ASP . 99.6 mm-40 -108.31 47.71 0.89 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.16 174.003 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . 0.545 ' HB3' ' O ' ' A' ' 69' ' ' GLN . 51.7 t0 84.52 -97.31 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.176 177.491 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -99.29 -6.46 55.4 Favored Glycine 0 CA--C 1.523 0.578 0 N-CA-C 111.196 -0.762 . . . . 0.0 111.196 175.069 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' MET . . . . . 0.405 ' HB3' ' HB2' ' A' ' 69' ' ' GLN . 56.5 ttm -101.19 115.53 30.7 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.809 0.338 . . . . 0.0 111.165 176.768 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 53.9 t0 -99.92 115.67 30.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.167 176.119 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 96.7 t -108.93 124.59 65.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.188 -173.465 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.416 ' HB2' ' HB ' ' A' ' 26' ' ' ILE . 56.0 mt -107.63 115.17 29.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.217 174.367 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -98.7 115.07 27.9 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.229 -179.183 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.485 ' HB2' ' HB ' ' A' ' 24' ' ' ILE . 9.1 mp -97.36 110.58 23.1 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.204 175.344 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 51.9 t30 -92.69 102.41 14.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.192 174.238 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . 0.411 HG23 HG11 ' A' ' 57' ' ' VAL . 74.7 mt -109.35 119.56 58.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.167 -166.938 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 97.6 m -94.75 113.99 25.83 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.19 170.854 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 53.8 tp . . . . . 0 C--O 1.2 -1.509 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.242 -178.585 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 16' ' ' THR . . . . . . . . . . . . . 95.3 m . . . . . 0 C--O 1.231 0.085 0 CA-C-O 120.841 0.353 . . . . 0.0 111.235 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 91.3 t -106.94 128.85 61.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.152 -176.899 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -122.38 179.61 4.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.154 178.44 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -75.33 65.36 1.63 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.233 177.402 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 61.4 t0 -151.96 118.29 5.61 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.198 -176.03 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 21' ' ' ARG . . . . . . . . . . . . . 85.3 mtp180 -124.24 141.87 51.71 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.189 -176.589 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 5.2 mp -120.09 143.5 48.1 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.205 -179.091 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 92.9 mm-40 -119.94 128.13 53.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.215 171.901 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 24' ' ' ILE . . . . . 0.49 ' HB ' ' HB2' ' B' ' 77' ' ' LEU . 68.8 mt -114.54 108.36 25.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.17 171.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 25' ' ' ILE . . . . . . . . . . . . . 43.9 mm -100.4 114.63 39.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.222 -179.288 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 26' ' ' ILE . . . . . 0.404 ' HB ' ' HB2' ' B' ' 75' ' ' LEU . 36.0 mm -104.09 100.05 9.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.159 178.43 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -109.17 109.82 20.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.269 -176.638 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 28' ' ' GLN . . . . . . . . . . . . . 66.3 tt0 -103.43 101.63 11.53 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.214 178.194 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -93.48 133.34 36.86 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.219 -173.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 60.25 54.67 3.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.215 -174.298 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -62.3 116.64 5.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.186 -170.017 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 95.4 mm-40 -106.33 -39.26 5.97 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.155 176.035 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 79.4 mm-40 -92.97 -10.8 35.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.219 176.179 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -80.55 -4.06 90.12 Favored Glycine 0 CA--C 1.523 0.532 0 N-CA-C 111.203 -0.759 . . . . 0.0 111.203 176.797 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 35' ' ' GLN . . . . . . . . . . . . . 77.6 mt-30 -80.41 -7.18 59.02 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.848 0.356 . . . . 0.0 111.234 175.774 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 36' ' ' THR . . . . . . . . . . . . . 96.4 m -106.78 128.58 25.87 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.154 -179.074 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 37' ' ' PRO . . . . . 0.432 ' O ' ' HB2' ' B' ' 38' ' ' ASP . 74.6 Cg_exo -53.87 150.28 30.59 Favored 'Trans proline' 0 N--CA 1.459 -0.549 0 C-N-CA 121.735 1.623 . . . . 0.0 111.167 177.707 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 38' ' ' ASP . . . . . 0.432 ' HB2' ' O ' ' B' ' 37' ' ' PRO . 70.5 m-20 68.31 31.22 5.21 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.198 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 39' ' ' TYR . . . . . . . . . . . . . 61.1 t80 -95.38 -72.45 0.63 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.197 164.727 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 40' ' ' LEU . . . . . 0.563 ' N ' ' CD ' ' B' ' 41' ' ' PRO . 85.6 mt -68.27 -40.57 21.27 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.203 178.772 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 41' ' ' PRO . . . . . 0.563 ' CD ' ' N ' ' B' ' 40' ' ' LEU . 74.6 Cg_exo -50.77 -33.36 40.31 Favored 'Trans proline' 0 N--CA 1.458 -0.607 0 C-N-CA 121.7 1.6 . . . . 0.0 111.192 179.207 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 82.7 p -87.71 -26.62 22.86 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.19 -175.822 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 97.1 mt -75.39 -31.64 60.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.173 171.9 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 44' ' ' ARG . . . . . . . . . . . . . 81.1 mtp180 -65.18 -43.13 92.67 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.216 173.893 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 45' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -69.72 -31.43 69.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.223 175.294 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . . . -64.54 -48.87 73.46 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.138 176.505 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 90.7 mt -61.31 -35.79 78.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.248 177.696 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 48' ' ' MET . . . . . . . . . . . . . 60.1 ttp -59.0 -49.76 76.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.239 175.298 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -66.68 -40.05 88.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.259 -177.887 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 50' ' ' VAL . . . . . . . . . . . . . 53.0 t -63.37 -51.2 73.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.148 177.764 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 80.9 mt -62.97 -35.94 81.82 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.156 -179.148 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 68.2 m -73.98 -34.06 64.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.142 179.425 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 83.0 tttt -74.25 -61.99 1.67 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.203 -177.276 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 89.6 m-85 -83.14 -40.04 20.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.205 -163.795 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 55' ' ' VAL . . . . . . . . . . . . . 34.7 m -118.72 9.78 6.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.214 -171.597 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 56' ' ' ASN . . . . . . . . . . . . . 87.4 m-20 56.21 50.07 14.17 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.178 167.177 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 57' ' ' VAL . . . . . 0.421 HG11 HG23 ' B' ' 79' ' ' ILE . 71.4 t -109.89 140.05 30.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.232 175.213 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 58' ' ' SER . . . . . . . . . . . . . 83.0 p -89.95 162.58 15.34 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.161 -175.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 39.4 tp -61.56 -30.06 70.41 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.178 174.473 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -68.18 -37.41 80.92 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.198 177.443 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 61' ' ' ASN . . . . . . . . . . . . . 94.6 m-20 -77.49 -3.71 41.87 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.183 178.31 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 62' ' ' ILE . . . . . . . . . . . . . 70.3 mt -108.91 117.03 53.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.166 177.236 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 63' ' ' ARG . . . . . . . . . . . . . 79.4 ttt180 -109.84 117.22 33.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.191 175.741 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 64' ' ' ILE . . . . . 0.42 HG12 ' HG ' ' B' ' 77' ' ' LEU . 86.6 mt -105.55 117.62 51.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.157 -176.309 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 39.9 t -111.34 116.53 31.14 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.261 178.049 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 66.2 tt0 -91.18 116.2 28.63 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.222 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -115.71 140.42 49.21 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.155 179.62 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 68' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -102.79 112.98 26.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.185 -179.671 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 69' ' ' GLN . . . . . 0.539 ' O ' ' HB3' ' B' ' 70' ' ' ASP . 99.6 mm-40 -108.31 47.71 0.89 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.16 174.003 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 70' ' ' ASP . . . . . 0.539 ' HB3' ' O ' ' B' ' 69' ' ' GLN . 51.7 t0 84.52 -97.31 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.176 177.491 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 71' ' ' GLY . . . . . 0.424 ' H ' ' HB3' ' B' ' 70' ' ' ASP . . . -99.29 -6.46 55.4 Favored Glycine 0 CA--C 1.523 0.578 0 N-CA-C 111.196 -0.762 . . . . 0.0 111.196 175.069 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 72' ' ' MET . . . . . 0.421 ' HB3' ' HB2' ' B' ' 69' ' ' GLN . 56.5 ttm -101.19 115.53 30.7 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.809 0.338 . . . . 0.0 111.165 176.768 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 73' ' ' ASP . . . . . . . . . . . . . 53.9 t0 -99.92 115.67 30.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.167 176.119 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 74' ' ' VAL . . . . . . . . . . . . . 96.7 t -108.93 124.59 65.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.188 -173.465 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 75' ' ' LEU . . . . . 0.404 ' HB2' ' HB ' ' B' ' 26' ' ' ILE . 56.0 mt -107.63 115.17 29.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.217 174.367 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -98.7 115.07 27.9 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.229 -179.183 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 77' ' ' LEU . . . . . 0.49 ' HB2' ' HB ' ' B' ' 24' ' ' ILE . 9.1 mp -97.36 110.58 23.1 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.204 175.344 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 78' ' ' ASN . . . . . . . . . . . . . 51.9 t30 -92.69 102.41 14.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.192 174.238 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 79' ' ' ILE . . . . . 0.421 HG23 HG11 ' B' ' 57' ' ' VAL . 74.7 mt -109.35 119.56 58.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.167 -166.938 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 80' ' ' THR . . . . . . . . . . . . . 97.6 m -94.75 113.99 25.83 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.19 170.854 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 53.8 tp . . . . . 0 C--O 1.2 -1.509 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.242 -178.585 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 92.6 m-20 . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.831 0.348 . . . . 0.0 111.216 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 72.3 ttt180 -96.68 124.33 40.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.196 -179.86 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 55.8 tp -112.65 113.82 26.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.146 -179.107 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 46.3 tt0 -117.87 125.41 50.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.168 -178.446 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 69.9 mt -131.18 119.14 43.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.203 -178.105 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 89.6 mt -116.26 123.78 71.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.19 -177.299 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 4.8 mp -111.51 120.1 61.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.21 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -120.19 125.75 48.96 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.185 -175.987 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' GLN . . . . . 0.407 ' O ' ' HA ' ' A' ' 72' ' ' MET . 58.3 tt0 -108.23 102.33 11.47 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.22 171.772 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.404 ' HG2' ' HG3' ' A' ' 30' ' ' ARG . 86.2 tt0 -88.27 134.37 33.82 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.22 -172.532 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.404 ' HG3' ' HG2' ' A' ' 29' ' ' GLU . 99.5 mtt180 . . . . . 0 C--N 1.33 -0.253 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.234 -176.162 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 40.3 p90 . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.825 0.345 . . . . 0.0 111.197 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.571 ' N ' ' CD ' ' A' ' 41' ' ' PRO . 78.1 mt -70.27 -42.08 15.28 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.175 -177.822 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 41' ' ' PRO . . . . . 0.571 ' CD ' ' N ' ' A' ' 40' ' ' LEU . 95.2 Cg_exo -51.1 -38.37 59.92 Favored 'Trans proline' 0 N--CA 1.457 -0.627 0 C-N-CA 121.759 1.639 . . . . 0.0 111.204 177.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 96.0 m -72.4 -42.47 65.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.153 177.422 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.422 ' O ' ' HG ' ' A' ' 47' ' ' LEU . 79.7 mt -62.86 -35.25 79.37 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.187 178.168 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 98.6 mtt180 -57.92 -45.86 85.87 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.23 177.454 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -66.78 -32.88 74.45 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.181 174.237 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . . . -70.22 -31.93 69.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.209 -176.776 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.422 ' HG ' ' O ' ' A' ' 43' ' ' LEU . 79.3 mt -95.06 -32.72 12.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.24 -174.408 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 99.1 mtp -83.37 -51.23 7.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.233 -178.37 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 99.5 mt-10 -93.63 -50.85 5.2 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.186 -170.783 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 73.6 t -71.13 -53.12 22.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.279 -167.14 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 68.3 mt -64.77 -36.69 85.13 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.243 -179.767 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 36.6 t -53.35 -40.19 64.72 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.224 -179.832 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -69.75 -24.47 63.54 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.243 -177.48 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 20.2 m-85 -82.73 -31.69 28.31 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.234 -176.919 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 35.7 m -109.08 -6.83 11.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.15 -177.692 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 87.2 m-20 56.85 47.3 18.19 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.171 178.748 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 83.8 t -119.22 137.28 53.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.188 -179.691 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 83.6 p -77.76 159.21 29.21 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.236 -174.248 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 93.7 mt -67.69 -18.24 64.85 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.201 177.609 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -70.7 -35.61 72.85 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.187 172.254 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 90.0 m-20 -91.52 7.18 42.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.187 178.794 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.427 HG12 HG12 ' A' ' 79' ' ' ILE . 97.4 mt -113.69 127.58 70.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.178 176.095 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 79.7 ttt180 -102.41 123.11 45.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.221 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 91.6 mt -126.17 125.27 67.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.168 178.286 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 43.8 t -135.39 107.62 7.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.187 -177.879 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 64.6 tt0 -94.8 121.33 36.27 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.145 172.55 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 87.5 tt0 -143.56 131.25 21.31 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.185 -175.73 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 86.2 tttt -101.9 115.73 31.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.208 -179.597 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 80.6 mm-40 -120.98 147.86 44.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.231 172.28 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 77.6 m-20 47.81 -118.39 0.95 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.217 -170.025 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -112.12 12.15 26.64 Favored Glycine 0 CA--C 1.523 0.551 0 N-CA-C 111.242 -0.743 . . . . 0.0 111.242 175.286 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 72' ' ' MET . . . . . 0.407 ' HA ' ' O ' ' A' ' 28' ' ' GLN . 60.5 ttm -107.24 126.93 53.05 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.87 0.367 . . . . 0.0 111.202 -177.586 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 65.2 t0 -96.82 114.7 26.35 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.251 172.168 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 93.8 t -107.82 125.78 64.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.202 -174.275 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 65.6 tp -113.78 110.06 19.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.202 174.519 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 75.1 tt0 -101.68 127.96 48.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.208 -173.054 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 41.2 tp -114.38 129.65 56.66 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.173 176.442 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 69.9 m-80 -128.8 106.18 8.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.207 171.158 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.427 HG12 HG12 ' A' ' 62' ' ' ILE . 69.3 mt -102.62 115.13 44.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.198 177.045 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 71.5 p -123.13 163.46 20.52 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.205 -177.971 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 54.4 tp . . . . . 0 C--O 1.2 -1.508 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.178 -179.332 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 92.6 m-20 . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.831 0.348 . . . . 0.0 111.216 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' B' B ' 21' ' ' ARG . . . . . . . . . . . . . 72.3 ttt180 -96.68 124.33 40.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.196 -179.86 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 55.8 tp -112.65 113.82 26.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.146 -179.107 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 46.3 tt0 -117.87 125.41 50.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.168 -178.446 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 24' ' ' ILE . . . . . . . . . . . . . 69.9 mt -131.18 119.14 43.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.203 -178.105 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 25' ' ' ILE . . . . . . . . . . . . . 89.6 mt -116.26 123.78 71.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.19 -177.299 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 4.8 mp -111.51 120.1 61.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.21 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -120.19 125.75 48.96 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.185 -175.987 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 28' ' ' GLN . . . . . 0.406 ' O ' ' HA ' ' B' ' 72' ' ' MET . 58.3 tt0 -108.23 102.33 11.47 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.22 171.772 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 86.2 tt0 -88.27 134.37 33.82 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.22 -172.532 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 . . . . . 0 C--N 1.33 -0.253 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.234 -176.162 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' B' B ' 39' ' ' TYR . . . . . . . . . . . . . 40.3 p90 . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.825 0.345 . . . . 0.0 111.197 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' B' B ' 40' ' ' LEU . . . . . 0.57 ' N ' ' CD ' ' B' ' 41' ' ' PRO . 78.1 mt -70.27 -42.08 15.28 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.175 -177.822 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 41' ' ' PRO . . . . . 0.57 ' CD ' ' N ' ' B' ' 40' ' ' LEU . 95.2 Cg_exo -51.1 -38.37 59.92 Favored 'Trans proline' 0 N--CA 1.457 -0.627 0 C-N-CA 121.759 1.639 . . . . 0.0 111.204 177.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 96.0 m -72.4 -42.47 65.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.153 177.422 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 43' ' ' LEU . . . . . 0.424 ' O ' ' HG ' ' B' ' 47' ' ' LEU . 79.7 mt -62.86 -35.25 79.37 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.187 178.168 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 44' ' ' ARG . . . . . . . . . . . . . 98.6 mtt180 -57.92 -45.86 85.87 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.23 177.454 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 45' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -66.78 -32.88 74.45 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.181 174.237 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . . . -70.22 -31.93 69.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.209 -176.776 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 47' ' ' LEU . . . . . 0.424 ' HG ' ' O ' ' B' ' 43' ' ' LEU . 79.3 mt -95.06 -32.72 12.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.24 -174.408 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 48' ' ' MET . . . . . . . . . . . . . 99.1 mtp -83.37 -51.23 7.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.233 -178.37 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 99.5 mt-10 -93.63 -50.85 5.2 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.186 -170.783 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 50' ' ' VAL . . . . . . . . . . . . . 73.6 t -71.13 -53.12 22.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.279 -167.14 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 68.3 mt -64.77 -36.69 85.13 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.243 -179.767 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 36.6 t -53.35 -40.19 64.72 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.224 -179.832 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -69.75 -24.47 63.54 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.243 -177.48 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 20.2 m-85 -82.73 -31.69 28.31 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.234 -176.919 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 55' ' ' VAL . . . . . . . . . . . . . 35.7 m -109.08 -6.83 11.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.15 -177.692 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 56' ' ' ASN . . . . . . . . . . . . . 87.2 m-20 56.85 47.3 18.19 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.171 178.748 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 83.8 t -119.22 137.28 53.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.188 -179.691 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 58' ' ' SER . . . . . . . . . . . . . 83.6 p -77.76 159.21 29.21 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.236 -174.248 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 93.7 mt -67.69 -18.24 64.85 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.201 177.609 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -70.7 -35.61 72.85 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.187 172.254 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 61' ' ' ASN . . . . . . . . . . . . . 90.0 m-20 -91.52 7.18 42.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.187 178.794 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 62' ' ' ILE . . . . . 0.432 HG12 HG12 ' B' ' 79' ' ' ILE . 97.4 mt -113.69 127.58 70.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.178 176.095 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 63' ' ' ARG . . . . . . . . . . . . . 79.7 ttt180 -102.41 123.11 45.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.221 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 64' ' ' ILE . . . . . . . . . . . . . 91.6 mt -126.17 125.27 67.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.168 178.286 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 43.8 t -135.39 107.62 7.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.187 -177.879 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 64.6 tt0 -94.8 121.33 36.27 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.145 172.55 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 87.5 tt0 -143.56 131.25 21.31 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.185 -175.73 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 68' ' ' LYS . . . . . . . . . . . . . 86.2 tttt -101.9 115.73 31.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.208 -179.597 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 69' ' ' GLN . . . . . . . . . . . . . 80.6 mm-40 -120.98 147.86 44.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.231 172.28 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 77.6 m-20 47.81 -118.39 0.95 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.217 -170.025 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 71' ' ' GLY . . . . . . . . . . . . . . . -112.12 12.15 26.64 Favored Glycine 0 CA--C 1.523 0.551 0 N-CA-C 111.242 -0.743 . . . . 0.0 111.242 175.286 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 72' ' ' MET . . . . . 0.406 ' HA ' ' O ' ' B' ' 28' ' ' GLN . 60.5 ttm -107.24 126.93 53.05 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.87 0.367 . . . . 0.0 111.202 -177.586 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 73' ' ' ASP . . . . . . . . . . . . . 65.2 t0 -96.82 114.7 26.35 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.251 172.168 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 74' ' ' VAL . . . . . . . . . . . . . 93.8 t -107.82 125.78 64.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.202 -174.275 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 75' ' ' LEU . . . . . . . . . . . . . 65.6 tp -113.78 110.06 19.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.202 174.519 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 75.1 tt0 -101.68 127.96 48.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.208 -173.054 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 41.2 tp -114.38 129.65 56.66 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.173 176.442 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 78' ' ' ASN . . . . . . . . . . . . . 69.9 m-80 -128.8 106.18 8.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.207 171.158 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 79' ' ' ILE . . . . . 0.432 HG12 HG12 ' B' ' 62' ' ' ILE . 69.3 mt -102.62 115.13 44.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.198 177.045 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 80' ' ' THR . . . . . . . . . . . . . 71.5 p -123.13 163.46 20.52 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.205 -177.971 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 54.4 tp . . . . . 0 C--O 1.2 -1.508 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.178 -179.332 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 6.0 t0 . . . . . 0 C--O 1.232 0.15 0 CA-C-O 120.783 0.325 . . . . 0.0 111.197 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 62.1 ttp180 -155.06 134.77 12.76 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.197 178.876 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 65.8 mt -117.09 150.1 39.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.184 176.273 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 37.3 tt0 -143.26 122.82 13.23 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.231 177.739 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 87.6 mt -123.73 125.14 70.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.19 178.854 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 47.6 mm -111.15 117.71 55.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.183 177.442 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 87.2 mt -110.95 107.08 22.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.21 179.037 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -101.29 115.59 30.85 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.155 -176.643 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 62.0 tt0 -109.06 104.21 13.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.211 176.741 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 89.6 mt-10 -73.3 133.24 43.83 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.178 178.327 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 75.5 mtp85 . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.181 -176.513 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 65.1 m-85 . . . . . 0 C--O 1.23 0.066 0 CA-C-O 120.814 0.34 . . . . 0.0 111.241 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.634 ' N ' ' CD ' ' A' ' 41' ' ' PRO . 94.5 mt -69.22 -37.97 9.83 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.203 -168.395 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 41' ' ' PRO . . . . . 0.634 ' CD ' ' N ' ' A' ' 40' ' ' LEU . 98.9 Cg_exo -53.53 -31.93 61.24 Favored 'Trans proline' 0 N--CA 1.459 -0.557 0 C-N-CA 121.687 1.592 . . . . 0.0 111.182 -179.385 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 65.0 p -92.55 -28.65 16.63 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.21 -178.819 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 91.7 mt -75.87 -30.67 58.95 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.181 -178.042 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 35.0 ptt180 -65.65 -21.24 66.54 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.227 175.878 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -98.64 -38.5 9.1 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.192 178.268 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . . . -55.2 -62.55 1.59 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.128 -177.469 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 87.5 mt -63.19 -42.59 99.35 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.14 -176.944 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 36.2 mmt -75.74 -35.28 60.24 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.216 -166.72 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -74.42 -37.42 63.34 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.209 -179.747 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 71.3 t -72.34 -48.14 49.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.197 178.464 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.427 ' O ' HG22 ' A' ' 55' ' ' VAL . 87.8 mt -66.69 -30.62 70.91 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.183 -179.264 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 37.8 t -47.47 -45.74 26.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.2 -178.978 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -78.11 -14.63 59.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.192 -176.792 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 21.9 m-30 -90.56 -32.47 16.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.182 179.202 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.427 HG22 ' O ' ' A' ' 51' ' ' LEU . 23.1 m -100.63 -12.24 8.54 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.228 -178.443 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 82.3 m-20 65.14 46.06 2.83 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.18 179.559 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 96.8 t -129.52 136.66 58.76 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.228 -179.135 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 31.4 t -71.8 147.58 47.11 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.21 -175.408 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 94.1 mt -60.55 -27.85 67.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.145 175.814 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -67.7 -36.04 79.92 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.151 175.78 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 98.2 m-20 -76.2 -27.32 56.82 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.154 178.033 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 96.6 mt -75.5 133.95 30.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.226 179.197 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 79.6 ttt180 -100.13 123.91 44.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.207 -174.931 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 85.1 mt -120.56 118.49 56.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.225 179.132 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 43.9 t -135.15 104.04 5.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.178 -178.162 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 59.7 tt0 -94.53 135.63 35.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.144 171.576 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -141.55 132.36 25.8 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.215 -176.867 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -77.68 135.01 38.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.213 175.703 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 71.1 tp60 -133.52 112.98 11.96 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.153 178.065 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 80.6 m-20 58.14 -106.84 0.33 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.228 -176.565 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -121.05 40.11 2.22 Favored Glycine 0 CA--C 1.523 0.58 0 N-CA-C 111.207 -0.757 . . . . 0.0 111.207 178.651 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 28.5 ptm -155.06 166.45 33.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.774 0.321 . . . . 0.0 111.227 176.593 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 86.9 m-20 -118.99 138.09 53.06 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.189 179.57 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 95.8 t -123.36 132.09 72.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.2 179.514 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 56.6 tp -112.01 123.23 49.8 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.239 -178.164 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 79.2 tt0 -107.6 120.23 41.62 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.173 179.635 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 55.9 mt -120.15 109.31 15.29 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.196 -176.624 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 79.1 m-20 -111.63 131.15 55.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.192 -178.36 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 79.9 mt -117.75 125.37 74.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.192 175.845 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 98.0 m -101.98 120.95 41.23 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.223 177.251 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 6.8 mp . . . . . 0 C--O 1.199 -1.577 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.17 -178.41 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 6.0 t0 . . . . . 0 C--O 1.232 0.15 0 CA-C-O 120.783 0.325 . . . . 0.0 111.197 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' B' B ' 21' ' ' ARG . . . . . . . . . . . . . 62.1 ttp180 -155.06 134.77 12.76 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.197 178.876 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 65.8 mt -117.09 150.1 39.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.184 176.273 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 37.3 tt0 -143.26 122.82 13.23 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.231 177.739 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 24' ' ' ILE . . . . . . . . . . . . . 87.6 mt -123.73 125.14 70.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.19 178.854 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 25' ' ' ILE . . . . . . . . . . . . . 47.6 mm -111.15 117.71 55.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.183 177.442 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 87.2 mt -110.95 107.08 22.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.21 179.037 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -101.29 115.59 30.85 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.155 -176.643 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 28' ' ' GLN . . . . . . . . . . . . . 62.0 tt0 -109.06 104.21 13.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.211 176.741 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 89.6 mt-10 -73.3 133.24 43.83 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.178 178.327 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 75.5 mtp85 . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.181 -176.513 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' B' B ' 39' ' ' TYR . . . . . . . . . . . . . 65.1 m-85 . . . . . 0 C--O 1.23 0.066 0 CA-C-O 120.814 0.34 . . . . 0.0 111.241 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' B' B ' 40' ' ' LEU . . . . . 0.635 ' N ' ' CD ' ' B' ' 41' ' ' PRO . 94.5 mt -69.22 -37.97 9.83 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.203 -168.395 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 41' ' ' PRO . . . . . 0.635 ' CD ' ' N ' ' B' ' 40' ' ' LEU . 98.9 Cg_exo -53.53 -31.93 61.24 Favored 'Trans proline' 0 N--CA 1.459 -0.557 0 C-N-CA 121.687 1.592 . . . . 0.0 111.182 -179.385 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 65.0 p -92.55 -28.65 16.63 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.21 -178.819 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 91.7 mt -75.87 -30.67 58.95 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.181 -178.042 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 44' ' ' ARG . . . . . . . . . . . . . 35.0 ptt180 -65.65 -21.24 66.54 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.227 175.878 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 45' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -98.64 -38.5 9.1 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.192 178.268 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . . . -55.2 -62.55 1.59 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.128 -177.469 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 87.5 mt -63.19 -42.59 99.35 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.14 -176.944 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 48' ' ' MET . . . . . . . . . . . . . 36.2 mmt -75.74 -35.28 60.24 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.216 -166.72 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -74.42 -37.42 63.34 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.209 -179.747 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 50' ' ' VAL . . . . . . . . . . . . . 71.3 t -72.34 -48.14 49.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.197 178.464 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 51' ' ' LEU . . . . . 0.413 ' O ' HG22 ' B' ' 55' ' ' VAL . 87.8 mt -66.69 -30.62 70.91 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.183 -179.264 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 37.8 t -47.47 -45.74 26.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.2 -178.978 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -78.11 -14.63 59.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.192 -176.792 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 21.9 m-30 -90.56 -32.47 16.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.182 179.202 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 55' ' ' VAL . . . . . 0.413 HG22 ' O ' ' B' ' 51' ' ' LEU . 23.1 m -100.63 -12.24 8.54 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.228 -178.443 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 56' ' ' ASN . . . . . . . . . . . . . 82.3 m-20 65.14 46.06 2.83 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.18 179.559 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 96.8 t -129.52 136.66 58.76 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.228 -179.135 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 58' ' ' SER . . . . . . . . . . . . . 31.4 t -71.8 147.58 47.11 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.21 -175.408 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 94.1 mt -60.55 -27.85 67.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.145 175.814 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -67.7 -36.04 79.92 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.151 175.78 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 61' ' ' ASN . . . . . . . . . . . . . 98.2 m-20 -76.2 -27.32 56.82 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.154 178.033 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 62' ' ' ILE . . . . . . . . . . . . . 96.6 mt -75.5 133.95 30.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.226 179.197 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 63' ' ' ARG . . . . . . . . . . . . . 79.6 ttt180 -100.13 123.91 44.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.207 -174.931 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 64' ' ' ILE . . . . . . . . . . . . . 85.1 mt -120.56 118.49 56.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.225 179.132 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 43.9 t -135.15 104.04 5.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.178 -178.162 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 59.7 tt0 -94.53 135.63 35.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.144 171.576 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -141.55 132.36 25.8 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.215 -176.867 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 68' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -77.68 135.01 38.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.213 175.703 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 69' ' ' GLN . . . . . . . . . . . . . 71.1 tp60 -133.52 112.98 11.96 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.153 178.065 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 80.6 m-20 58.14 -106.84 0.33 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.228 -176.565 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 71' ' ' GLY . . . . . . . . . . . . . . . -121.05 40.11 2.22 Favored Glycine 0 CA--C 1.523 0.58 0 N-CA-C 111.207 -0.757 . . . . 0.0 111.207 178.651 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 72' ' ' MET . . . . . . . . . . . . . 28.5 ptm -155.06 166.45 33.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.774 0.321 . . . . 0.0 111.227 176.593 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 73' ' ' ASP . . . . . . . . . . . . . 86.9 m-20 -118.99 138.09 53.06 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.189 179.57 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 74' ' ' VAL . . . . . . . . . . . . . 95.8 t -123.36 132.09 72.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.2 179.514 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 75' ' ' LEU . . . . . . . . . . . . . 56.6 tp -112.01 123.23 49.8 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.239 -178.164 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 79.2 tt0 -107.6 120.23 41.62 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.173 179.635 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 55.9 mt -120.15 109.31 15.29 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.196 -176.624 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 78' ' ' ASN . . . . . . . . . . . . . 79.1 m-20 -111.63 131.15 55.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.192 -178.36 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 79' ' ' ILE . . . . . . . . . . . . . 79.9 mt -117.75 125.37 74.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.192 175.845 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 80' ' ' THR . . . . . . . . . . . . . 98.0 m -101.98 120.95 41.23 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.223 177.251 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 6.8 mp . . . . . 0 C--O 1.199 -1.577 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.17 -178.41 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 50.3 t0 . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.754 0.312 . . . . 0.0 111.186 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 82.8 mtm180 -114.76 157.39 23.29 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.254 177.27 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 72.3 mt -115.9 149.59 38.44 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.206 179.75 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 42.4 tt0 -142.28 114.83 8.48 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.179 175.633 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 5.3 mp -121.82 115.48 46.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.198 -178.277 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 85.0 mt -102.88 120.8 53.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.219 -174.624 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 71.0 mt -102.85 117.84 48.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.23 -178.212 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -111.72 120.44 42.02 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.189 -178.349 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 41.2 tt0 -105.68 117.93 35.29 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.182 170.517 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 64.5 tt0 -75.16 132.77 41.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.182 172.893 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 83.9 mtp180 . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.239 -175.967 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 68.9 m-85 . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.842 0.353 . . . . 0.0 111.207 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.606 ' HB3' ' HD3' ' A' ' 41' ' ' PRO . 9.9 tt -57.5 -45.05 99.9 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.22 -175.071 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 41' ' ' PRO . . . . . 0.606 ' HD3' ' HB3' ' A' ' 40' ' ' LEU . 98.2 Cg_exo -52.44 -49.2 18.25 Favored 'Trans proline' 0 N--CA 1.458 -0.614 0 C-N-CA 121.731 1.621 . . . . 0.0 111.188 179.245 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 81.7 p -79.17 -27.88 42.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.179 -175.541 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 81.9 mt -71.75 -44.48 63.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.217 175.907 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 57.7 ttp180 -53.51 -51.09 63.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.239 178.351 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -47.89 -52.58 18.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.195 176.614 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . . . -78.6 -38.8 39.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.203 -171.501 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.458 HD22 HD22 ' B' ' 47' ' ' LEU . 90.5 mt -69.13 -37.78 78.5 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.165 -174.055 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 94.5 mtp -62.05 -40.43 95.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.195 177.009 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -61.47 -29.5 70.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.259 177.224 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 73.2 t -79.88 -41.09 21.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.218 175.899 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 88.5 mt -63.97 -35.2 79.9 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.222 -177.877 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 85.2 p -81.12 -18.65 45.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.216 -177.053 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -66.6 -48.33 69.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.202 -175.967 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 94.6 m-85 -88.86 3.21 52.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.202 -166.861 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 35.6 m -130.33 -3.0 2.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.163 176.615 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 87.0 m-20 57.32 61.1 2.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.146 174.784 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 29.0 m -127.49 168.01 21.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.196 173.853 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 85.3 p -77.97 167.71 21.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.166 172.545 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 99.0 mt -83.16 -13.2 56.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.178 174.828 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 97.7 m-20 -77.41 -35.2 54.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.157 174.809 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 96.6 m-20 -61.12 -33.67 73.75 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.204 175.182 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 91.9 mt -70.92 130.13 34.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.181 177.824 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 79.8 ttt180 -106.22 125.61 51.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.182 -173.732 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 49.2 pt -97.36 148.12 5.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.159 179.087 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 35.4 t -144.96 87.0 1.81 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.225 176.212 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 66.0 tt0 -77.24 131.3 38.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.168 179.754 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -136.48 140.7 43.26 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.183 -178.994 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -92.87 99.4 12.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.156 179.575 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 97.2 mm-40 -86.86 61.72 6.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.208 179.235 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 90.8 m-20 62.78 -102.7 0.11 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.228 178.729 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -92.52 9.77 75.31 Favored Glycine 0 CA--C 1.523 0.561 0 N-CA-C 111.164 -0.774 . . . . 0.0 111.164 -179.424 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 90.4 mtp -126.44 170.28 12.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.788 0.327 . . . . 0.0 111.208 174.006 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 65.0 t0 -142.49 118.17 10.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.195 176.483 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 23.8 m -115.81 164.23 12.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.179 -175.001 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 10.3 tt -151.56 121.03 6.87 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.192 175.27 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -91.17 135.67 33.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.166 -176.741 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 89.9 mt -112.44 119.3 37.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.162 176.267 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 71.5 m-80 -112.26 125.3 54.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.177 -179.909 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 4.5 mp -119.93 118.94 58.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.216 179.699 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 96.9 m -106.29 132.09 52.75 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.165 177.816 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 66.0 mt . . . . . 0 C--O 1.199 -1.579 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.211 -172.868 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 50.3 t0 . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.754 0.312 . . . . 0.0 111.186 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' B' B ' 21' ' ' ARG . . . . . . . . . . . . . 82.8 mtm180 -114.76 157.39 23.29 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.254 177.27 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 72.3 mt -115.9 149.59 38.44 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.206 179.75 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 42.4 tt0 -142.28 114.83 8.48 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.179 175.633 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 24' ' ' ILE . . . . . . . . . . . . . 5.3 mp -121.82 115.48 46.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.198 -178.277 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 25' ' ' ILE . . . . . . . . . . . . . 85.0 mt -102.88 120.8 53.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.219 -174.624 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 71.0 mt -102.85 117.84 48.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.23 -178.212 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -111.72 120.44 42.02 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.189 -178.349 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 28' ' ' GLN . . . . . . . . . . . . . 41.2 tt0 -105.68 117.93 35.29 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.182 170.517 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 64.5 tt0 -75.16 132.77 41.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.182 172.893 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 83.9 mtp180 . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.239 -175.967 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' B' B ' 39' ' ' TYR . . . . . . . . . . . . . 68.9 m-85 . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.842 0.353 . . . . 0.0 111.207 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' B' B ' 40' ' ' LEU . . . . . 0.605 ' HB3' ' HD3' ' B' ' 41' ' ' PRO . 9.9 tt -57.5 -45.05 99.9 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.22 -175.071 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 41' ' ' PRO . . . . . 0.605 ' HD3' ' HB3' ' B' ' 40' ' ' LEU . 98.2 Cg_exo -52.44 -49.2 18.25 Favored 'Trans proline' 0 N--CA 1.458 -0.614 0 C-N-CA 121.731 1.621 . . . . 0.0 111.188 179.245 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 81.7 p -79.17 -27.88 42.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.179 -175.541 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 81.9 mt -71.75 -44.48 63.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.217 175.907 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 44' ' ' ARG . . . . . . . . . . . . . 57.7 ttp180 -53.51 -51.09 63.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.239 178.351 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 45' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -47.89 -52.58 18.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.195 176.614 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . . . -78.6 -38.8 39.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.203 -171.501 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 47' ' ' LEU . . . . . 0.458 HD22 HD22 ' A' ' 47' ' ' LEU . 90.5 mt -69.13 -37.78 78.5 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.165 -174.055 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 48' ' ' MET . . . . . . . . . . . . . 94.5 mtp -62.05 -40.43 95.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.195 177.009 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -61.47 -29.5 70.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.259 177.224 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 50' ' ' VAL . . . . . . . . . . . . . 73.2 t -79.88 -41.09 21.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.218 175.899 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 88.5 mt -63.97 -35.2 79.9 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.222 -177.877 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 85.2 p -81.12 -18.65 45.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.216 -177.053 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -66.6 -48.33 69.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.202 -175.967 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 94.6 m-85 -88.86 3.21 52.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.202 -166.861 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 55' ' ' VAL . . . . . . . . . . . . . 35.6 m -130.33 -3.0 2.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.163 176.615 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 56' ' ' ASN . . . . . . . . . . . . . 87.0 m-20 57.32 61.1 2.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.146 174.784 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 29.0 m -127.49 168.01 21.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.196 173.853 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 58' ' ' SER . . . . . . . . . . . . . 85.3 p -77.97 167.71 21.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.166 172.545 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 99.0 mt -83.16 -13.2 56.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.178 174.828 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 97.7 m-20 -77.41 -35.2 54.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.157 174.809 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 61' ' ' ASN . . . . . . . . . . . . . 96.6 m-20 -61.12 -33.67 73.75 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.204 175.182 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 62' ' ' ILE . . . . . . . . . . . . . 91.9 mt -70.92 130.13 34.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.181 177.824 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 63' ' ' ARG . . . . . . . . . . . . . 79.8 ttt180 -106.22 125.61 51.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.182 -173.732 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 64' ' ' ILE . . . . . . . . . . . . . 49.2 pt -97.36 148.12 5.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.159 179.087 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 35.4 t -144.96 87.0 1.81 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.225 176.212 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 66.0 tt0 -77.24 131.3 38.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.168 179.754 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -136.48 140.7 43.26 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.183 -178.994 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 68' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -92.87 99.4 12.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.156 179.575 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 69' ' ' GLN . . . . . . . . . . . . . 97.2 mm-40 -86.86 61.72 6.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.208 179.235 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 90.8 m-20 62.78 -102.7 0.11 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.228 178.729 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 71' ' ' GLY . . . . . . . . . . . . . . . -92.52 9.77 75.31 Favored Glycine 0 CA--C 1.523 0.561 0 N-CA-C 111.164 -0.774 . . . . 0.0 111.164 -179.424 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 72' ' ' MET . . . . . . . . . . . . . 90.4 mtp -126.44 170.28 12.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.788 0.327 . . . . 0.0 111.208 174.006 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 73' ' ' ASP . . . . . . . . . . . . . 65.0 t0 -142.49 118.17 10.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.195 176.483 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 74' ' ' VAL . . . . . . . . . . . . . 23.8 m -115.81 164.23 12.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.179 -175.001 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 75' ' ' LEU . . . . . . . . . . . . . 10.3 tt -151.56 121.03 6.87 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.192 175.27 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -91.17 135.67 33.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.166 -176.741 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 89.9 mt -112.44 119.3 37.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.162 176.267 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 78' ' ' ASN . . . . . . . . . . . . . 71.5 m-80 -112.26 125.3 54.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.177 -179.909 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 79' ' ' ILE . . . . . . . . . . . . . 4.5 mp -119.93 118.94 58.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.216 179.699 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 80' ' ' THR . . . . . . . . . . . . . 96.9 m -106.29 132.09 52.75 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.165 177.816 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 66.0 mt . . . . . 0 C--O 1.199 -1.579 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.211 -172.868 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 46.8 t0 . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.78 0.324 . . . . 0.0 111.259 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 41.1 ptt180 -141.61 154.35 45.35 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.177 178.812 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 88.6 mt -109.31 137.73 46.74 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.217 177.822 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 66.9 tt0 -124.67 110.46 14.42 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.202 174.93 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.5 ' HB ' ' HB2' ' A' ' 77' ' ' LEU . 76.0 mt -113.0 115.46 49.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.196 -178.731 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 46.0 mm -109.78 117.39 54.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.232 -177.834 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 74.1 mt -108.44 106.46 20.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.209 -178.654 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -114.5 109.63 18.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.21 -172.488 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 66.7 tt0 -86.47 121.14 28.61 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.198 171.371 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.425 ' HG2' ' HG3' ' A' ' 30' ' ' ARG . 88.5 tt0 -110.27 129.03 55.81 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.183 -177.92 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.425 ' HG3' ' HG2' ' A' ' 29' ' ' GLU . 99.8 mtt180 . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.253 -179.491 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' TYR . . . . . 0.456 ' CD2' ' N ' ' A' ' 39' ' ' TYR . 1.8 p90 . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.836 0.351 . . . . 0.0 111.199 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.562 ' HB2' ' HD3' ' A' ' 41' ' ' PRO . 86.7 mt -91.12 -43.22 0.39 Allowed Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.227 177.869 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 41' ' ' PRO . . . . . 0.562 ' HD3' ' HB2' ' A' ' 40' ' ' LEU . 90.9 Cg_exo -51.56 -38.64 65.31 Favored 'Trans proline' 0 N--CA 1.458 -0.614 0 C-N-CA 121.705 1.603 . . . . 0.0 111.214 179.255 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 88.0 m -80.15 -40.19 27.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.191 177.305 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 62.5 tp -54.7 -42.46 71.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.253 178.708 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 85.9 mtm180 -66.43 -28.62 68.75 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.173 -177.636 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -82.25 -34.79 28.65 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.187 174.914 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . . . -72.9 -46.2 54.0 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.196 -177.38 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.432 HD13 HD13 ' B' ' 47' ' ' LEU . 45.3 tp -72.92 -50.05 25.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.212 -177.52 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 59.5 ttp -50.02 -45.19 51.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.193 176.785 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 89.2 tt0 -59.51 -52.49 65.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.206 -175.582 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 33.2 m -75.92 -26.6 17.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.23 -171.019 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.443 ' O ' HG22 ' A' ' 55' ' ' VAL . 62.4 mt -60.33 -45.33 93.8 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.178 174.233 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 61.0 p -64.42 -22.39 66.94 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.21 -178.143 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -82.62 -29.92 29.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.193 -179.491 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 18.6 m-30 -86.21 -35.16 20.21 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.161 -174.005 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.443 HG22 ' O ' ' A' ' 51' ' ' LEU . 11.2 m -99.96 0.06 10.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.207 -174.976 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 77.6 m-20 63.07 59.92 1.26 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.253 173.98 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 24.3 m -139.37 166.95 20.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.203 173.778 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 85.3 p -76.61 169.33 18.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.218 165.941 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 95.7 mt -71.18 -21.08 62.2 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.242 -179.868 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -67.62 -14.97 63.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.21 176.398 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 21.7 m120 -94.32 15.46 17.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.206 179.028 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 91.9 mt -121.97 125.84 73.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.203 172.723 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 79.6 ttt180 -111.51 119.46 38.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.177 -178.556 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.41 HG12 ' HG ' ' A' ' 77' ' ' LEU . 76.3 mt -118.86 122.49 69.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.265 -176.909 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 40.4 t -123.57 133.01 54.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.169 179.232 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 66.3 tt0 -106.2 120.72 42.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.227 -178.869 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -102.65 121.59 42.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.169 175.187 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 99.7 mttt -100.26 113.69 26.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.19 -176.701 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 56.8 mm-40 -127.1 46.01 2.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.144 176.909 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 97.1 m-20 64.71 -97.28 0.05 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.196 178.676 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -81.22 -21.15 63.22 Favored Glycine 0 CA--C 1.523 0.535 0 N-CA-C 111.209 -0.756 . . . . 0.0 111.209 -177.692 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 54.0 tpp -101.69 131.57 47.87 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.744 0.307 . . . . 0.0 111.184 173.148 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 63.2 t0 -135.23 113.01 10.9 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.205 175.891 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 99.0 t -113.5 124.3 70.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.252 -172.037 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 53.3 mt -100.37 135.39 41.88 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.244 173.518 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 68.6 tt0 -111.78 114.05 26.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.18 174.39 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.5 ' HB2' ' HB ' ' A' ' 24' ' ' ILE . 5.9 mp -114.48 113.44 24.47 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.166 -177.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 78.3 m-20 -109.13 113.81 26.99 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.162 179.032 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 4.7 mp -117.79 123.95 72.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.201 -172.825 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 95.2 m -65.72 127.52 32.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.236 174.415 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 33.9 tp . . . . . 0 C--O 1.2 -1.552 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.175 173.674 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 46.8 t0 . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.78 0.324 . . . . 0.0 111.259 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' B' B ' 21' ' ' ARG . . . . . . . . . . . . . 41.1 ptt180 -141.61 154.35 45.35 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.177 178.812 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 22' ' ' LEU . . . . . 0.402 ' HB2' ' HB ' ' B' ' 79' ' ' ILE . 88.6 mt -109.31 137.73 46.74 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.217 177.822 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 66.9 tt0 -124.67 110.46 14.42 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.202 174.93 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 24' ' ' ILE . . . . . 0.5 ' HB ' ' HB2' ' B' ' 77' ' ' LEU . 76.0 mt -113.0 115.46 49.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.196 -178.731 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 25' ' ' ILE . . . . . . . . . . . . . 46.0 mm -109.78 117.39 54.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.232 -177.834 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 74.1 mt -108.44 106.46 20.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.209 -178.654 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -114.5 109.63 18.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.21 -172.488 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 28' ' ' GLN . . . . . . . . . . . . . 66.7 tt0 -86.47 121.14 28.61 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.198 171.371 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 29' ' ' GLU . . . . . 0.43 ' HG2' ' HG3' ' B' ' 30' ' ' ARG . 88.5 tt0 -110.27 129.03 55.81 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.183 -177.92 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 30' ' ' ARG . . . . . 0.43 ' HG3' ' HG2' ' B' ' 29' ' ' GLU . 99.8 mtt180 . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.253 -179.491 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 39' ' ' TYR . . . . . 0.451 ' N ' ' CD2' ' B' ' 39' ' ' TYR . 1.8 p90 . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.836 0.351 . . . . 0.0 111.199 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 40' ' ' LEU . . . . . 0.548 ' HB2' ' HD3' ' B' ' 41' ' ' PRO . 86.7 mt -91.12 -43.22 0.39 Allowed Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.227 177.869 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 41' ' ' PRO . . . . . 0.548 ' HD3' ' HB2' ' B' ' 40' ' ' LEU . 90.9 Cg_exo -51.56 -38.64 65.31 Favored 'Trans proline' 0 N--CA 1.458 -0.614 0 C-N-CA 121.705 1.603 . . . . 0.0 111.214 179.255 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 88.0 m -80.15 -40.19 27.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.191 177.305 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 62.5 tp -54.7 -42.46 71.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.253 178.708 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 44' ' ' ARG . . . . . . . . . . . . . 85.9 mtm180 -66.43 -28.62 68.75 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.173 -177.636 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 45' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -82.25 -34.79 28.65 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.187 174.914 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . . . -72.9 -46.2 54.0 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.196 -177.38 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 47' ' ' LEU . . . . . 0.432 HD13 HD13 ' A' ' 47' ' ' LEU . 45.3 tp -72.92 -50.05 25.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.212 -177.52 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 48' ' ' MET . . . . . . . . . . . . . 59.5 ttp -50.02 -45.19 51.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.193 176.785 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 89.2 tt0 -59.51 -52.49 65.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.206 -175.582 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 50' ' ' VAL . . . . . . . . . . . . . 33.2 m -75.92 -26.6 17.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.23 -171.019 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 51' ' ' LEU . . . . . 0.443 ' O ' HG22 ' B' ' 55' ' ' VAL . 62.4 mt -60.33 -45.33 93.8 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.178 174.233 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 61.0 p -64.42 -22.39 66.94 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.21 -178.143 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -82.62 -29.92 29.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.193 -179.491 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 18.6 m-30 -86.21 -35.16 20.21 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.161 -174.005 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 55' ' ' VAL . . . . . 0.443 HG22 ' O ' ' B' ' 51' ' ' LEU . 11.2 m -99.96 0.06 10.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.207 -174.976 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 56' ' ' ASN . . . . . . . . . . . . . 77.6 m-20 63.07 59.92 1.26 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.253 173.98 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 24.3 m -139.37 166.95 20.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.203 173.778 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 58' ' ' SER . . . . . . . . . . . . . 85.3 p -76.61 169.33 18.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.218 165.941 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 95.7 mt -71.18 -21.08 62.2 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.242 -179.868 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -67.62 -14.97 63.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.21 176.398 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 61' ' ' ASN . . . . . . . . . . . . . 21.7 m120 -94.32 15.46 17.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.206 179.028 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 62' ' ' ILE . . . . . . . . . . . . . 91.9 mt -121.97 125.84 73.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.203 172.723 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 63' ' ' ARG . . . . . . . . . . . . . 79.6 ttt180 -111.51 119.46 38.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.177 -178.556 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 64' ' ' ILE . . . . . 0.405 HG12 ' HG ' ' B' ' 77' ' ' LEU . 76.3 mt -118.86 122.49 69.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.265 -176.909 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 40.4 t -123.57 133.01 54.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.169 179.232 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 66.3 tt0 -106.2 120.72 42.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.227 -178.869 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -102.65 121.59 42.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.169 175.187 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 68' ' ' LYS . . . . . . . . . . . . . 99.7 mttt -100.26 113.69 26.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.19 -176.701 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 69' ' ' GLN . . . . . . . . . . . . . 56.8 mm-40 -127.1 46.01 2.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.144 176.909 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 97.1 m-20 64.71 -97.28 0.05 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.196 178.676 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 71' ' ' GLY . . . . . . . . . . . . . . . -81.22 -21.15 63.22 Favored Glycine 0 CA--C 1.523 0.535 0 N-CA-C 111.209 -0.756 . . . . 0.0 111.209 -177.692 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 72' ' ' MET . . . . . . . . . . . . . 54.0 tpp -101.69 131.57 47.87 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.744 0.307 . . . . 0.0 111.184 173.148 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 73' ' ' ASP . . . . . . . . . . . . . 63.2 t0 -135.23 113.01 10.9 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.205 175.891 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 74' ' ' VAL . . . . . . . . . . . . . 99.0 t -113.5 124.3 70.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.252 -172.037 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 75' ' ' LEU . . . . . . . . . . . . . 53.3 mt -100.37 135.39 41.88 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.244 173.518 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 68.6 tt0 -111.78 114.05 26.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.18 174.39 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 77' ' ' LEU . . . . . 0.5 ' HB2' ' HB ' ' B' ' 24' ' ' ILE . 5.9 mp -114.48 113.44 24.47 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.166 -177.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 78' ' ' ASN . . . . . . . . . . . . . 78.3 m-20 -109.13 113.81 26.99 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.162 179.032 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 79' ' ' ILE . . . . . 0.402 ' HB ' ' HB2' ' B' ' 22' ' ' LEU . 4.7 mp -117.79 123.95 72.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.201 -172.825 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 80' ' ' THR . . . . . . . . . . . . . 95.2 m -65.72 127.52 32.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.236 174.415 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 33.9 tp . . . . . 0 C--O 1.2 -1.552 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.175 173.674 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.526 ' HA ' ' HB3' ' A' ' 81' ' ' LEU . 95.8 m-20 . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.763 0.316 . . . . 0.0 111.201 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 43.7 ttm180 -134.64 97.38 3.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.163 -178.606 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 83.4 mt -109.97 128.79 55.6 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.182 174.863 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 36.1 tt0 -122.68 127.59 49.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.217 -178.748 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 4.8 mp -117.92 122.13 69.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.15 179.33 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.47 ' HB ' ' HB ' ' B' ' 25' ' ' ILE . 85.3 mt -117.81 119.27 61.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.136 -179.637 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.422 ' HB ' ' HB3' ' A' ' 75' ' ' LEU . 38.8 mm -110.67 114.45 47.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.226 175.721 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -99.09 131.81 44.86 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.245 -178.061 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 97.2 mt-30 -131.98 86.19 2.31 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.189 179.498 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -69.9 156.4 39.13 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.203 -176.554 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.163 179.789 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 41.7 m-85 . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.804 0.335 . . . . 0.0 111.254 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.606 ' N ' ' CD ' ' A' ' 41' ' ' PRO . 94.8 mt -70.58 -39.51 9.53 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.208 -178.206 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 41' ' ' PRO . . . . . 0.606 ' CD ' ' N ' ' A' ' 40' ' ' LEU . 87.4 Cg_exo -52.44 -36.35 69.31 Favored 'Trans proline' 0 N--CA 1.458 -0.577 0 C-N-CA 121.769 1.646 . . . . 0.0 111.159 177.609 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 96.9 m -71.32 -43.11 67.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.23 -178.708 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 79.3 mt -61.19 -41.46 96.85 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.197 177.242 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 84.8 mtm180 -65.9 -39.99 91.12 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.222 -179.156 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -66.2 -41.45 90.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.199 175.892 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . . . -61.89 -42.68 99.36 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.204 178.991 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 84.0 mt -63.4 -33.55 75.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.197 -179.813 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 93.8 mmm -69.51 -27.52 65.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.142 176.334 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 99.8 mt-10 -83.55 -39.38 20.48 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.201 175.503 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 72.3 t -77.93 -82.0 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.14 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.469 ' O ' HG22 ' A' ' 55' ' ' VAL . 87.6 mt -73.34 -44.75 58.24 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.168 -163.254 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 38.0 t -55.64 -40.44 72.2 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.124 -176.939 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -77.05 -22.61 52.67 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.218 178.835 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 4.5 m-30 -76.77 -29.09 55.93 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.149 179.021 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.469 HG22 ' O ' ' A' ' 51' ' ' LEU . 31.7 m -113.82 -8.65 12.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.185 -175.932 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 85.0 m-20 62.59 60.49 1.34 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.24 179.443 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.427 HG23 HG23 ' A' ' 55' ' ' VAL . 64.3 t -126.72 137.01 59.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.225 177.103 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 69.6 p -79.04 162.08 26.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.246 -174.897 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 35.2 tp -59.4 -32.2 69.95 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.252 175.923 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -68.43 -31.62 71.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.191 179.346 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 67.2 m-80 -92.56 18.56 8.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.275 176.614 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 95.2 mt -121.91 130.24 74.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.205 171.913 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 79.7 ttt180 -97.18 122.69 40.47 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.213 -177.174 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 79.2 mt -123.62 121.89 63.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.205 -178.076 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 93.8 p -148.25 162.04 40.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.185 178.093 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 84.9 mt-30 -125.71 152.35 45.42 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.175 178.501 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -135.9 127.0 27.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.223 -177.438 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -105.04 120.86 42.53 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.19 178.095 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 65.2 mm-40 -127.95 116.52 20.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.183 177.159 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 86.8 m-20 62.53 -100.99 0.1 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.186 -175.905 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -128.77 30.92 3.65 Favored Glycine 0 CA--C 1.523 0.568 0 N-CA-C 111.242 -0.743 . . . . 0.0 111.242 173.357 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 67.1 ttp -119.89 129.27 54.29 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.829 0.347 . . . . 0.0 111.166 -178.987 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 92.9 m-20 -101.04 132.19 46.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.162 176.738 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 86.6 t -120.4 130.29 74.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.179 179.71 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.422 ' HB3' ' HB ' ' A' ' 26' ' ' ILE . 52.3 tp -105.34 126.09 51.72 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.192 172.311 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 74.1 tt0 -121.33 123.9 43.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.21 -178.176 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 4.8 mp -119.88 136.97 54.29 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.211 172.47 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 71.3 m-80 -126.24 110.86 13.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.186 177.234 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 75.9 mt -98.9 115.23 38.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.172 -177.972 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 98.1 m -107.9 126.25 52.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.247 -174.296 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.526 ' HB3' ' HA ' ' A' ' 20' ' ' ASP . 54.8 tp . . . . . 0 C--O 1.201 -1.488 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.213 178.015 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 20' ' ' ASP . . . . . 0.515 ' HA ' ' HB3' ' B' ' 81' ' ' LEU . 95.8 m-20 . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.763 0.316 . . . . 0.0 111.201 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 21' ' ' ARG . . . . . . . . . . . . . 43.7 ttm180 -134.64 97.38 3.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.163 -178.606 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 83.4 mt -109.97 128.79 55.6 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.182 174.863 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 36.1 tt0 -122.68 127.59 49.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.217 -178.748 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 24' ' ' ILE . . . . . . . . . . . . . 4.8 mp -117.92 122.13 69.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.15 179.33 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 25' ' ' ILE . . . . . 0.47 ' HB ' ' HB ' ' A' ' 25' ' ' ILE . 85.3 mt -117.81 119.27 61.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.136 -179.637 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 26' ' ' ILE . . . . . 0.431 ' HB ' ' HB3' ' B' ' 75' ' ' LEU . 38.8 mm -110.67 114.45 47.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.226 175.721 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -99.09 131.81 44.86 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.245 -178.061 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 28' ' ' GLN . . . . . . . . . . . . . 97.2 mt-30 -131.98 86.19 2.31 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.189 179.498 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -69.9 156.4 39.13 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.203 -176.554 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.163 179.789 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' B' B ' 39' ' ' TYR . . . . . . . . . . . . . 41.7 m-85 . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.804 0.335 . . . . 0.0 111.254 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' B' B ' 40' ' ' LEU . . . . . 0.611 ' N ' ' CD ' ' B' ' 41' ' ' PRO . 94.8 mt -70.58 -39.51 9.53 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.208 -178.206 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 41' ' ' PRO . . . . . 0.611 ' CD ' ' N ' ' B' ' 40' ' ' LEU . 87.4 Cg_exo -52.44 -36.35 69.31 Favored 'Trans proline' 0 N--CA 1.458 -0.577 0 C-N-CA 121.769 1.646 . . . . 0.0 111.159 177.609 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 96.9 m -71.32 -43.11 67.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.23 -178.708 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 79.3 mt -61.19 -41.46 96.85 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.197 177.242 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 44' ' ' ARG . . . . . . . . . . . . . 84.8 mtm180 -65.9 -39.99 91.12 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.222 -179.156 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 45' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -66.2 -41.45 90.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.199 175.892 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . . . -61.89 -42.68 99.36 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.204 178.991 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 84.0 mt -63.4 -33.55 75.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.197 -179.813 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 48' ' ' MET . . . . . . . . . . . . . 93.8 mmm -69.51 -27.52 65.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.142 176.334 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 99.8 mt-10 -83.55 -39.38 20.48 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.201 175.503 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 50' ' ' VAL . . . . . . . . . . . . . 72.3 t -77.93 -82.0 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.14 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 51' ' ' LEU . . . . . 0.455 ' O ' HG22 ' B' ' 55' ' ' VAL . 87.6 mt -73.34 -44.75 58.24 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.168 -163.254 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 52' ' ' SER . . . . . 0.428 ' OG ' ' O ' ' B' ' 57' ' ' VAL . 38.0 t -55.64 -40.44 72.2 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.124 -176.939 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -77.05 -22.61 52.67 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.218 178.835 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 54' ' ' TYR . . . . . 0.412 ' HD1' ' HA ' ' B' ' 54' ' ' TYR . 4.5 m-30 -76.77 -29.09 55.93 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.149 179.021 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 55' ' ' VAL . . . . . 0.455 HG22 ' O ' ' B' ' 51' ' ' LEU . 31.7 m -113.82 -8.65 12.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.185 -175.932 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 56' ' ' ASN . . . . . . . . . . . . . 85.0 m-20 62.59 60.49 1.34 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.24 179.443 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 57' ' ' VAL . . . . . 0.428 ' O ' ' OG ' ' B' ' 52' ' ' SER . 64.3 t -126.72 137.01 59.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.225 177.103 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 58' ' ' SER . . . . . . . . . . . . . 69.6 p -79.04 162.08 26.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.246 -174.897 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 35.2 tp -59.4 -32.2 69.95 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.252 175.923 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -68.43 -31.62 71.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.191 179.346 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 61' ' ' ASN . . . . . . . . . . . . . 67.2 m-80 -92.56 18.56 8.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.275 176.614 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 62' ' ' ILE . . . . . . . . . . . . . 95.2 mt -121.91 130.24 74.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.205 171.913 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 63' ' ' ARG . . . . . . . . . . . . . 79.7 ttt180 -97.18 122.69 40.47 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.213 -177.174 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 64' ' ' ILE . . . . . . . . . . . . . 79.2 mt -123.62 121.89 63.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.205 -178.076 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 93.8 p -148.25 162.04 40.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.185 178.093 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 84.9 mt-30 -125.71 152.35 45.42 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.175 178.501 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -135.9 127.0 27.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.223 -177.438 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 68' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -105.04 120.86 42.53 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.19 178.095 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 69' ' ' GLN . . . . . . . . . . . . . 65.2 mm-40 -127.95 116.52 20.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.183 177.159 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 86.8 m-20 62.53 -100.99 0.1 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.186 -175.905 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 71' ' ' GLY . . . . . . . . . . . . . . . -128.77 30.92 3.65 Favored Glycine 0 CA--C 1.523 0.568 0 N-CA-C 111.242 -0.743 . . . . 0.0 111.242 173.357 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 72' ' ' MET . . . . . . . . . . . . . 67.1 ttp -119.89 129.27 54.29 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.829 0.347 . . . . 0.0 111.166 -178.987 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 73' ' ' ASP . . . . . . . . . . . . . 92.9 m-20 -101.04 132.19 46.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.162 176.738 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 74' ' ' VAL . . . . . . . . . . . . . 86.6 t -120.4 130.29 74.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.179 179.71 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 75' ' ' LEU . . . . . 0.431 ' HB3' ' HB ' ' B' ' 26' ' ' ILE . 52.3 tp -105.34 126.09 51.72 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.192 172.311 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 74.1 tt0 -121.33 123.9 43.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.21 -178.176 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 4.8 mp -119.88 136.97 54.29 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.211 172.47 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 78' ' ' ASN . . . . . . . . . . . . . 71.3 m-80 -126.24 110.86 13.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.186 177.234 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 79' ' ' ILE . . . . . . . . . . . . . 75.9 mt -98.9 115.23 38.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.172 -177.972 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 80' ' ' THR . . . . . . . . . . . . . 98.1 m -107.9 126.25 52.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.247 -174.296 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 81' ' ' LEU . . . . . 0.515 ' HB3' ' HA ' ' B' ' 20' ' ' ASP . 54.8 tp . . . . . 0 C--O 1.201 -1.488 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.213 178.015 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 97.7 m-20 . . . . . 0 CA--C 1.523 -0.089 0 CA-C-O 120.833 0.349 . . . . 0.0 111.26 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 88.7 mtm180 -130.53 144.79 51.64 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.25 -168.433 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 39.0 tp -139.5 132.21 29.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.204 176.865 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 41.7 tt0 -126.16 130.28 50.69 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.216 -179.257 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 88.3 mt -120.04 127.34 75.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.25 179.226 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 83.5 mt -116.95 117.35 55.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.247 -178.669 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 82.5 mt -110.06 107.01 21.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.177 178.606 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -103.66 93.5 4.95 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.225 -173.088 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 50.4 tp60 -91.33 113.65 25.97 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.167 -179.575 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 75.5 tt0 -63.84 127.77 32.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.206 176.294 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 82.8 mtp180 . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.191 -175.679 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 24.0 m-85 . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.834 0.35 . . . . 0.0 111.137 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.601 ' N ' ' CD ' ' A' ' 41' ' ' PRO . 88.2 mt -67.65 -40.76 26.69 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.197 170.188 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 41' ' ' PRO . . . . . 0.601 ' CD ' ' N ' ' A' ' 40' ' ' LEU . 78.1 Cg_exo -54.89 -31.91 75.39 Favored 'Trans proline' 0 N--CA 1.458 -0.615 0 C-N-CA 121.703 1.602 . . . . 0.0 111.218 173.757 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 96.9 m -70.28 -40.52 74.27 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.223 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 96.0 mt -62.45 -34.94 77.78 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.223 174.134 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -66.09 -39.97 90.44 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.187 175.549 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -73.46 -34.4 65.37 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.184 178.633 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . . . -60.42 -49.36 77.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.197 175.569 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 84.7 mt -67.3 -36.95 82.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.197 177.336 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 62.4 ttp -52.02 -52.38 51.2 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.262 177.821 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 99.7 mt-10 -70.07 -37.48 75.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.195 -175.197 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 74.2 t -75.29 -49.04 29.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.138 -177.891 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.449 ' HA ' ' HB3' ' A' ' 54' ' ' TYR . 85.9 mt -65.51 -31.67 72.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.207 -174.09 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 39.0 t -55.1 -45.32 75.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.185 179.864 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -84.72 -28.72 26.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.164 179.208 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' TYR . . . . . 0.449 ' HB3' ' HA ' ' A' ' 51' ' ' LEU . 84.5 t80 -67.58 -47.76 68.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.17 179.585 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.469 ' O ' HG12 ' A' ' 55' ' ' VAL . 99.6 t -93.56 -10.92 9.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.195 178.935 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 63.8 t30 63.38 47.76 3.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.189 -178.224 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 35.6 m -139.65 166.19 21.36 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.248 176.873 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 60.5 p -85.36 179.25 7.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.216 176.449 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 52.1 tp -62.72 -22.68 66.71 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.223 178.042 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 98.2 m-20 -65.1 -20.55 66.52 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.207 -175.727 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 68.3 m-80 -98.1 15.45 24.19 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.22 179.557 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 87.7 mt -119.16 124.66 73.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.193 177.608 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 75.5 ttt180 -119.64 121.73 39.95 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.19 177.209 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 84.5 mt -120.94 132.27 70.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.22 -173.74 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 48.4 t -152.06 143.28 23.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.225 175.825 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 24.7 pt20 -125.53 154.35 42.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.184 -171.927 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 87.6 tt0 -151.03 133.55 15.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.126 175.037 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -98.99 115.44 28.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.187 -178.185 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 68.6 mm-40 -133.76 144.51 49.1 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.168 177.228 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 78.6 m-20 60.53 26.42 16.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.21 179.796 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 75.09 32.01 56.9 Favored Glycine 0 CA--C 1.522 0.506 0 N-CA-C 111.187 -0.765 . . . . 0.0 111.187 178.516 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 59.7 ttm -142.62 117.88 10.17 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.787 0.327 . . . . 0.0 111.184 -178.567 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 66.2 t0 -85.93 111.89 20.67 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.24 -176.863 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 97.5 t -106.85 124.31 62.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.202 -172.892 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.4 HD12 ' N ' ' A' ' 75' ' ' LEU . 8.3 mp -102.47 127.9 49.31 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.185 179.821 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 65.1 tt0 -113.4 120.4 40.93 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.182 -179.376 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.489 ' C ' HD23 ' A' ' 77' ' ' LEU . 9.7 tt -114.94 121.02 41.88 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.189 178.181 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 73.3 m-80 -113.24 120.92 42.86 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.196 178.275 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 19.1 tt -129.7 136.9 58.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.166 -178.041 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 85.1 m -131.35 139.07 49.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.215 -174.306 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 50.7 tp . . . . . 0 C--O 1.2 -1.526 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.278 178.65 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 97.7 m-20 . . . . . 0 CA--C 1.523 -0.089 0 CA-C-O 120.833 0.349 . . . . 0.0 111.26 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' B' B ' 21' ' ' ARG . . . . . . . . . . . . . 88.7 mtm180 -130.53 144.79 51.64 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.25 -168.433 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 39.0 tp -139.5 132.21 29.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.204 176.865 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 41.7 tt0 -126.16 130.28 50.69 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.216 -179.257 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 24' ' ' ILE . . . . . . . . . . . . . 88.3 mt -120.04 127.34 75.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.25 179.226 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 25' ' ' ILE . . . . . . . . . . . . . 83.5 mt -116.95 117.35 55.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.247 -178.669 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 82.5 mt -110.06 107.01 21.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.177 178.606 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -103.66 93.5 4.95 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.225 -173.088 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 28' ' ' GLN . . . . . . . . . . . . . 50.4 tp60 -91.33 113.65 25.97 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.167 -179.575 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 75.5 tt0 -63.84 127.77 32.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.206 176.294 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 82.8 mtp180 . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.191 -175.679 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' B' B ' 39' ' ' TYR . . . . . . . . . . . . . 24.0 m-85 . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.834 0.35 . . . . 0.0 111.137 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' B' B ' 40' ' ' LEU . . . . . 0.59 ' N ' ' CD ' ' B' ' 41' ' ' PRO . 88.2 mt -67.65 -40.76 26.69 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.197 170.188 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 41' ' ' PRO . . . . . 0.59 ' CD ' ' N ' ' B' ' 40' ' ' LEU . 78.1 Cg_exo -54.89 -31.91 75.39 Favored 'Trans proline' 0 N--CA 1.458 -0.615 0 C-N-CA 121.703 1.602 . . . . 0.0 111.218 173.757 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 96.9 m -70.28 -40.52 74.27 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.223 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 96.0 mt -62.45 -34.94 77.78 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.223 174.134 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 44' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -66.09 -39.97 90.44 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.187 175.549 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 45' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -73.46 -34.4 65.37 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.184 178.633 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . . . -60.42 -49.36 77.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.197 175.569 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 84.7 mt -67.3 -36.95 82.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.197 177.336 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 48' ' ' MET . . . . . . . . . . . . . 62.4 ttp -52.02 -52.38 51.2 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.262 177.821 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 99.7 mt-10 -70.07 -37.48 75.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.195 -175.197 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 50' ' ' VAL . . . . . . . . . . . . . 74.2 t -75.29 -49.04 29.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.138 -177.891 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 51' ' ' LEU . . . . . 0.451 ' HA ' ' HB3' ' B' ' 54' ' ' TYR . 85.9 mt -65.51 -31.67 72.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.207 -174.09 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 39.0 t -55.1 -45.32 75.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.185 179.864 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -84.72 -28.72 26.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.164 179.208 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 54' ' ' TYR . . . . . 0.451 ' HB3' ' HA ' ' B' ' 51' ' ' LEU . 84.5 t80 -67.58 -47.76 68.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.17 179.585 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 55' ' ' VAL . . . . . 0.463 ' O ' HG12 ' B' ' 55' ' ' VAL . 99.6 t -93.56 -10.92 9.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.195 178.935 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 56' ' ' ASN . . . . . . . . . . . . . 63.8 t30 63.38 47.76 3.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.189 -178.224 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 35.6 m -139.65 166.19 21.36 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.248 176.873 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 58' ' ' SER . . . . . . . . . . . . . 60.5 p -85.36 179.25 7.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.216 176.449 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 52.1 tp -62.72 -22.68 66.71 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.223 178.042 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 98.2 m-20 -65.1 -20.55 66.52 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.207 -175.727 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 61' ' ' ASN . . . . . . . . . . . . . 68.3 m-80 -98.1 15.45 24.19 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.22 179.557 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 62' ' ' ILE . . . . . . . . . . . . . 87.7 mt -119.16 124.66 73.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.193 177.608 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 63' ' ' ARG . . . . . . . . . . . . . 75.5 ttt180 -119.64 121.73 39.95 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.19 177.209 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 64' ' ' ILE . . . . . . . . . . . . . 84.5 mt -120.94 132.27 70.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.22 -173.74 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 48.4 t -152.06 143.28 23.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.225 175.825 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 24.7 pt20 -125.53 154.35 42.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.184 -171.927 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 87.6 tt0 -151.03 133.55 15.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.126 175.037 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 68' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -98.99 115.44 28.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.187 -178.185 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 69' ' ' GLN . . . . . . . . . . . . . 68.6 mm-40 -133.76 144.51 49.1 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.168 177.228 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 78.6 m-20 60.53 26.42 16.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.21 179.796 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 71' ' ' GLY . . . . . . . . . . . . . . . 75.09 32.01 56.9 Favored Glycine 0 CA--C 1.522 0.506 0 N-CA-C 111.187 -0.765 . . . . 0.0 111.187 178.516 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 72' ' ' MET . . . . . . . . . . . . . 59.7 ttm -142.62 117.88 10.17 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.787 0.327 . . . . 0.0 111.184 -178.567 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 73' ' ' ASP . . . . . . . . . . . . . 66.2 t0 -85.93 111.89 20.67 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.24 -176.863 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 74' ' ' VAL . . . . . . . . . . . . . 97.5 t -106.85 124.31 62.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.202 -172.892 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 75' ' ' LEU . . . . . 0.408 ' N ' HD12 ' B' ' 75' ' ' LEU . 8.3 mp -102.47 127.9 49.31 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.185 179.821 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 65.1 tt0 -113.4 120.4 40.93 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.182 -179.376 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 77' ' ' LEU . . . . . 0.474 ' C ' HD23 ' B' ' 77' ' ' LEU . 9.7 tt -114.94 121.02 41.88 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.189 178.181 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 78' ' ' ASN . . . . . . . . . . . . . 73.3 m-80 -113.24 120.92 42.86 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.196 178.275 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 79' ' ' ILE . . . . . . . . . . . . . 19.1 tt -129.7 136.9 58.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.166 -178.041 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 80' ' ' THR . . . . . . . . . . . . . 85.1 m -131.35 139.07 49.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.215 -174.306 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 50.7 tp . . . . . 0 C--O 1.2 -1.526 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.278 178.65 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 97.7 m-20 . . . . . 0 C--O 1.23 0.078 0 CA-C-O 120.776 0.322 . . . . 0.0 111.191 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 83.1 mtt85 -139.0 146.33 40.76 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.226 -173.556 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 9.3 tt -139.68 138.62 36.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.182 174.964 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 47.3 tt0 -134.88 136.88 42.73 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.207 -176.635 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.443 ' HB ' ' HB3' ' A' ' 77' ' ' LEU . 79.8 mt -122.19 123.58 69.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.183 177.086 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 82.1 mt -122.11 115.98 47.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.174 178.652 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 70.8 mt -128.39 130.51 69.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.23 -177.77 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -137.6 151.54 48.44 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.172 -179.257 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 33.0 tt0 -140.51 130.06 24.12 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.167 176.675 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.408 ' HA ' ' HB3' ' A' ' 72' ' ' MET . 86.2 tt0 -64.73 120.57 12.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.203 174.347 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 73.7 mtp180 . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.159 -171.439 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 13.8 p90 . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.769 0.319 . . . . 0.0 111.169 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.572 ' N ' ' CD ' ' A' ' 41' ' ' PRO . 85.3 mt -75.32 -41.36 3.81 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.202 -173.819 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 41' ' ' PRO . . . . . 0.572 ' CD ' ' N ' ' A' ' 40' ' ' LEU . 99.1 Cg_exo -51.57 -40.09 64.37 Favored 'Trans proline' 0 N--CA 1.458 -0.6 0 C-N-CA 121.742 1.628 . . . . 0.0 111.199 178.105 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 98.7 m -73.77 -48.03 34.59 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.237 179.111 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 88.6 mt -64.49 -38.2 90.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.144 -178.117 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 59.8 ttp180 -52.98 -60.61 3.06 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.184 175.467 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -61.65 -37.69 84.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.206 -179.757 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . . . -67.03 -51.24 57.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.203 -178.363 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 89.4 mt -67.95 -38.07 82.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.169 -176.051 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 95.5 mtp -68.27 -34.23 75.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.212 177.957 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -64.88 -43.86 91.54 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.161 174.25 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 53.7 t -65.0 -45.59 94.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.19 178.638 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 88.5 mt -68.41 -32.85 73.19 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.204 179.865 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 46.6 t -57.97 -42.22 84.58 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.205 175.89 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -86.26 -26.13 25.16 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.18 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 17.2 t80 -64.25 -49.29 72.48 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.168 -176.561 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 19.3 m -122.43 15.44 5.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.19 -178.911 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 86.9 m-20 59.64 62.29 1.77 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.212 170.054 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 35.4 m -132.54 162.74 39.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.223 179.644 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 54.1 p -82.04 178.86 8.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.152 177.776 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 92.4 mt -79.1 -11.35 59.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.165 177.382 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 91.2 m-20 -86.99 -3.69 59.11 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.17 175.711 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 32.8 m120 -96.4 8.97 42.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.222 177.227 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 87.1 mt -128.62 134.3 64.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.237 -179.75 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 79.4 ttt180 -103.63 120.31 40.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.257 -177.208 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 49.8 mm -109.35 124.59 66.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.217 -179.631 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 45.8 t -121.53 93.82 4.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.148 175.323 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 61.7 tt0 -98.41 129.93 45.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.194 -179.378 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 25.4 pt-20 -154.66 164.95 37.99 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.21 179.641 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -105.11 109.92 22.1 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.194 177.221 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 72.7 tp60 -88.0 103.07 15.36 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.177 176.939 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 74.2 m-20 55.39 -112.58 0.72 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.203 -179.32 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -104.6 30.92 9.23 Favored Glycine 0 CA--C 1.523 0.552 0 N-CA-C 111.212 -0.755 . . . . 0.0 111.212 -175.907 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 72' ' ' MET . . . . . 0.408 ' HB3' ' HA ' ' A' ' 29' ' ' GLU . 25.6 ptp -152.85 162.05 41.78 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.829 0.347 . . . . 0.0 111.209 177.428 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 79.2 m-20 -107.24 147.27 30.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.207 178.764 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 9.5 p -146.22 141.09 21.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.254 -178.234 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 10.2 tt -131.28 130.78 43.24 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.233 178.885 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 58.9 tt0 -108.71 124.6 50.8 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.254 178.409 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.526 ' C ' HD23 ' A' ' 77' ' ' LEU . 8.8 tt -115.23 118.63 33.83 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.186 -179.273 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 76.3 m-20 -114.91 128.79 56.49 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.255 179.63 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 18.5 tt -135.08 141.55 42.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.207 177.796 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 97.4 m -99.62 129.59 45.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.202 178.619 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 7.2 mp . . . . . 0 C--O 1.199 -1.565 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.172 -177.58 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 97.7 m-20 . . . . . 0 C--O 1.23 0.078 0 CA-C-O 120.776 0.322 . . . . 0.0 111.191 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' B' B ' 21' ' ' ARG . . . . . . . . . . . . . 83.1 mtt85 -139.0 146.33 40.76 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.226 -173.556 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 9.3 tt -139.68 138.62 36.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.182 174.964 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 47.3 tt0 -134.88 136.88 42.73 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.207 -176.635 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 24' ' ' ILE . . . . . 0.432 ' HB ' ' HB3' ' B' ' 77' ' ' LEU . 79.8 mt -122.19 123.58 69.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.183 177.086 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 25' ' ' ILE . . . . . . . . . . . . . 82.1 mt -122.11 115.98 47.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.174 178.652 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 70.8 mt -128.39 130.51 69.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.23 -177.77 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -137.6 151.54 48.44 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.172 -179.257 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 28' ' ' GLN . . . . . . . . . . . . . 33.0 tt0 -140.51 130.06 24.12 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.167 176.675 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 29' ' ' GLU . . . . . 0.405 ' HA ' ' HB3' ' B' ' 72' ' ' MET . 86.2 tt0 -64.73 120.57 12.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.203 174.347 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 73.7 mtp180 . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.159 -171.439 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' B' B ' 39' ' ' TYR . . . . . . . . . . . . . 13.8 p90 . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.769 0.319 . . . . 0.0 111.169 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' B' B ' 40' ' ' LEU . . . . . 0.578 ' N ' ' CD ' ' B' ' 41' ' ' PRO . 85.3 mt -75.32 -41.36 3.81 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.202 -173.819 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 41' ' ' PRO . . . . . 0.578 ' CD ' ' N ' ' B' ' 40' ' ' LEU . 99.1 Cg_exo -51.57 -40.09 64.37 Favored 'Trans proline' 0 N--CA 1.458 -0.6 0 C-N-CA 121.742 1.628 . . . . 0.0 111.199 178.105 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 98.7 m -73.77 -48.03 34.59 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.237 179.111 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 88.6 mt -64.49 -38.2 90.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.144 -178.117 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 44' ' ' ARG . . . . . . . . . . . . . 59.8 ttp180 -52.98 -60.61 3.06 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.184 175.467 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 45' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -61.65 -37.69 84.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.206 -179.757 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . . . -67.03 -51.24 57.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.203 -178.363 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 89.4 mt -67.95 -38.07 82.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.169 -176.051 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 48' ' ' MET . . . . . . . . . . . . . 95.5 mtp -68.27 -34.23 75.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.212 177.957 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -64.88 -43.86 91.54 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.161 174.25 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 50' ' ' VAL . . . . . . . . . . . . . 53.7 t -65.0 -45.59 94.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.19 178.638 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 88.5 mt -68.41 -32.85 73.19 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.204 179.865 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 46.6 t -57.97 -42.22 84.58 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.205 175.89 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -86.26 -26.13 25.16 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.18 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 17.2 t80 -64.25 -49.29 72.48 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.168 -176.561 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 55' ' ' VAL . . . . . . . . . . . . . 19.3 m -122.43 15.44 5.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.19 -178.911 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 56' ' ' ASN . . . . . . . . . . . . . 86.9 m-20 59.64 62.29 1.77 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.212 170.054 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 35.4 m -132.54 162.74 39.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.223 179.644 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 58' ' ' SER . . . . . . . . . . . . . 54.1 p -82.04 178.86 8.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.152 177.776 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 92.4 mt -79.1 -11.35 59.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.165 177.382 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 91.2 m-20 -86.99 -3.69 59.11 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.17 175.711 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 61' ' ' ASN . . . . . . . . . . . . . 32.8 m120 -96.4 8.97 42.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.222 177.227 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 62' ' ' ILE . . . . . . . . . . . . . 87.1 mt -128.62 134.3 64.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.237 -179.75 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 63' ' ' ARG . . . . . . . . . . . . . 79.4 ttt180 -103.63 120.31 40.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.257 -177.208 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 64' ' ' ILE . . . . . . . . . . . . . 49.8 mm -109.35 124.59 66.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.217 -179.631 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 45.8 t -121.53 93.82 4.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.148 175.323 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 61.7 tt0 -98.41 129.93 45.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.194 -179.378 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 25.4 pt-20 -154.66 164.95 37.99 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.21 179.641 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 68' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -105.11 109.92 22.1 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.194 177.221 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 69' ' ' GLN . . . . . . . . . . . . . 72.7 tp60 -88.0 103.07 15.36 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.177 176.939 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 74.2 m-20 55.39 -112.58 0.72 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.203 -179.32 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 71' ' ' GLY . . . . . . . . . . . . . . . -104.6 30.92 9.23 Favored Glycine 0 CA--C 1.523 0.552 0 N-CA-C 111.212 -0.755 . . . . 0.0 111.212 -175.907 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 72' ' ' MET . . . . . 0.405 ' HB3' ' HA ' ' B' ' 29' ' ' GLU . 25.6 ptp -152.85 162.05 41.78 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.829 0.347 . . . . 0.0 111.209 177.428 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 73' ' ' ASP . . . . . . . . . . . . . 79.2 m-20 -107.24 147.27 30.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.207 178.764 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 74' ' ' VAL . . . . . . . . . . . . . 9.5 p -146.22 141.09 21.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.254 -178.234 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 75' ' ' LEU . . . . . . . . . . . . . 10.2 tt -131.28 130.78 43.24 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.233 178.885 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 58.9 tt0 -108.71 124.6 50.8 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.254 178.409 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 77' ' ' LEU . . . . . 0.514 ' C ' HD23 ' B' ' 77' ' ' LEU . 8.8 tt -115.23 118.63 33.83 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.186 -179.273 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 78' ' ' ASN . . . . . . . . . . . . . 76.3 m-20 -114.91 128.79 56.49 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.255 179.63 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 79' ' ' ILE . . . . . . . . . . . . . 18.5 tt -135.08 141.55 42.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.207 177.796 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 80' ' ' THR . . . . . . . . . . . . . 97.4 m -99.62 129.59 45.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.202 178.619 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 7.2 mp . . . . . 0 C--O 1.199 -1.565 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.172 -177.58 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 95.5 m-20 . . . . . 0 C--O 1.23 0.074 0 CA-C-O 120.849 0.357 . . . . 0.0 111.183 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 18.0 ptp180 -157.17 165.11 36.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.169 -174.296 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 81.5 mt -98.82 144.21 28.3 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.249 172.388 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 32.6 tt0 -128.77 117.88 21.86 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.243 179.818 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.409 HG22 HG13 ' A' ' 26' ' ' ILE . 4.8 mp -118.07 123.71 72.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.184 178.782 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 80.5 mt -112.54 109.93 30.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.202 177.56 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.409 HG13 HG22 ' A' ' 24' ' ' ILE . 85.6 mt -109.93 114.42 46.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.2 -176.809 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -107.65 125.84 51.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.156 -178.784 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 40.9 tt0 -109.35 110.02 21.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.241 170.893 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 65.2 mt-10 -69.65 159.22 33.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.206 -174.919 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 79.4 ttt180 . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.182 -175.191 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 29.1 m-85 . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.796 0.331 . . . . 0.0 111.235 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.582 ' HB3' ' HD3' ' A' ' 41' ' ' PRO . 10.1 tt -53.08 -44.91 98.24 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.222 -177.904 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 41' ' ' PRO . . . . . 0.582 ' HD3' ' HB3' ' A' ' 40' ' ' LEU . 78.9 Cg_exo -50.4 -42.39 48.43 Favored 'Trans proline' 0 N--CA 1.458 -0.579 0 C-N-CA 121.671 1.58 . . . . 0.0 111.217 178.506 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 77.4 p -83.57 -26.76 29.78 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.212 -176.234 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 95.2 mt -73.21 -30.8 63.76 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.187 177.089 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 69.8 ttp85 -62.44 -60.71 3.15 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.179 173.938 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -58.19 -39.26 78.48 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.205 -178.081 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . . . -67.36 -43.18 82.12 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.195 -179.8 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 51.0 tp -66.52 -41.76 88.32 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.195 178.262 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 94.6 mtp -59.93 -33.52 71.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.218 177.798 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -61.68 -46.98 87.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.217 176.709 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 29.4 m -87.44 -17.7 8.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.202 -174.678 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.464 ' O ' ' HB ' ' A' ' 55' ' ' VAL . 34.0 mt -64.49 -51.53 62.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.199 167.882 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 33.1 t -60.93 -34.9 75.42 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.163 175.605 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 83.7 tttt -71.02 -54.7 10.28 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.207 -173.898 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 47.1 m-85 -90.76 -33.42 15.74 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.184 -166.322 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.501 ' O ' HG12 ' A' ' 55' ' ' VAL . 94.5 t -81.91 -9.38 11.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.179 -172.347 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 76.9 m-20 62.28 61.68 1.26 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.233 -175.66 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 10.6 p -151.42 149.47 14.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.209 -171.461 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 59.5 p -87.01 170.75 11.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.223 179.674 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 97.0 mt -76.93 -23.13 52.45 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.156 -179.665 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 98.0 m-20 -68.89 -17.51 63.99 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.212 177.377 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 48.3 m-80 -96.72 13.11 29.54 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.195 179.703 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 77.0 mt -108.93 118.29 56.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.184 175.633 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 79.8 ttt180 -96.52 127.57 42.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.146 178.86 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 81.1 mt -114.79 116.53 52.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.214 -175.888 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 43.5 t -142.58 126.82 17.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.158 175.604 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 42.9 mt-30 -103.85 156.64 17.67 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.224 -179.225 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 71.2 tt0 -136.53 128.24 28.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.162 178.785 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -84.51 127.57 34.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.22 -179.275 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 79.2 mm-40 -127.79 76.18 1.66 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.176 172.794 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 93.2 m-20 63.41 -100.67 0.09 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.234 -178.488 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -108.69 9.58 34.88 Favored Glycine 0 CA--C 1.523 0.587 0 N-CA-C 111.19 -0.764 . . . . 0.0 111.19 -178.431 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 65.8 ttp -111.32 120.96 43.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.844 0.354 . . . . 0.0 111.194 178.451 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 62.2 t0 -94.72 113.79 25.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.166 178.888 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 95.9 t -105.58 126.85 60.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.187 -174.73 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 48.5 tp -108.82 126.75 53.37 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.241 176.453 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 67.4 tt0 -110.25 118.3 35.97 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.162 175.419 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 85.7 mt -113.39 126.88 55.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.219 177.425 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 72.6 m-80 -120.41 113.31 20.15 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.207 177.945 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 5.2 mp -118.82 128.07 75.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.204 -170.9 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 91.4 m -53.6 118.4 3.87 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.219 178.023 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 54.4 tp . . . . . 0 C--O 1.199 -1.555 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.201 -176.91 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 95.5 m-20 . . . . . 0 C--O 1.23 0.074 0 CA-C-O 120.849 0.357 . . . . 0.0 111.183 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' B' B ' 21' ' ' ARG . . . . . . . . . . . . . 18.0 ptp180 -157.17 165.11 36.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.169 -174.296 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 81.5 mt -98.82 144.21 28.3 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.249 172.388 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 32.6 tt0 -128.77 117.88 21.86 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.243 179.818 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 24' ' ' ILE . . . . . 0.4 HG22 HG13 ' B' ' 26' ' ' ILE . 4.8 mp -118.07 123.71 72.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.184 178.782 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 25' ' ' ILE . . . . . . . . . . . . . 80.5 mt -112.54 109.93 30.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.202 177.56 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 26' ' ' ILE . . . . . 0.4 HG13 HG22 ' B' ' 24' ' ' ILE . 85.6 mt -109.93 114.42 46.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.2 -176.809 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -107.65 125.84 51.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.156 -178.784 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 28' ' ' GLN . . . . . . . . . . . . . 40.9 tt0 -109.35 110.02 21.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.241 170.893 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 65.2 mt-10 -69.65 159.22 33.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.206 -174.919 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 79.4 ttt180 . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.182 -175.191 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' B' B ' 39' ' ' TYR . . . . . . . . . . . . . 29.1 m-85 . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.796 0.331 . . . . 0.0 111.235 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' B' B ' 40' ' ' LEU . . . . . 0.573 ' HB3' ' HD3' ' B' ' 41' ' ' PRO . 10.1 tt -53.08 -44.91 98.24 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.222 -177.904 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 41' ' ' PRO . . . . . 0.573 ' HD3' ' HB3' ' B' ' 40' ' ' LEU . 78.9 Cg_exo -50.4 -42.39 48.43 Favored 'Trans proline' 0 N--CA 1.458 -0.579 0 C-N-CA 121.671 1.58 . . . . 0.0 111.217 178.506 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 77.4 p -83.57 -26.76 29.78 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.212 -176.234 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 95.2 mt -73.21 -30.8 63.76 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.187 177.089 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 44' ' ' ARG . . . . . . . . . . . . . 69.8 ttp85 -62.44 -60.71 3.15 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.179 173.938 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 45' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -58.19 -39.26 78.48 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.205 -178.081 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . . . -67.36 -43.18 82.12 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.195 -179.8 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 51.0 tp -66.52 -41.76 88.32 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.195 178.262 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 48' ' ' MET . . . . . . . . . . . . . 94.6 mtp -59.93 -33.52 71.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.218 177.798 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -61.68 -46.98 87.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.217 176.709 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 50' ' ' VAL . . . . . . . . . . . . . 29.4 m -87.44 -17.7 8.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.202 -174.678 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 51' ' ' LEU . . . . . 0.466 ' O ' ' HB ' ' B' ' 55' ' ' VAL . 34.0 mt -64.49 -51.53 62.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.199 167.882 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 33.1 t -60.93 -34.9 75.42 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.163 175.605 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 83.7 tttt -71.02 -54.7 10.28 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.207 -173.898 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 47.1 m-85 -90.76 -33.42 15.74 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.184 -166.322 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 55' ' ' VAL . . . . . 0.494 ' O ' HG12 ' B' ' 55' ' ' VAL . 94.5 t -81.91 -9.38 11.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.179 -172.347 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 56' ' ' ASN . . . . . . . . . . . . . 76.9 m-20 62.28 61.68 1.26 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.233 -175.66 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 10.6 p -151.42 149.47 14.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.209 -171.461 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 58' ' ' SER . . . . . . . . . . . . . 59.5 p -87.01 170.75 11.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.223 179.674 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 97.0 mt -76.93 -23.13 52.45 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.156 -179.665 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 98.0 m-20 -68.89 -17.51 63.99 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.212 177.377 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 61' ' ' ASN . . . . . . . . . . . . . 48.3 m-80 -96.72 13.11 29.54 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.195 179.703 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 62' ' ' ILE . . . . . . . . . . . . . 77.0 mt -108.93 118.29 56.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.184 175.633 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 63' ' ' ARG . . . . . . . . . . . . . 79.8 ttt180 -96.52 127.57 42.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.146 178.86 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 64' ' ' ILE . . . . . . . . . . . . . 81.1 mt -114.79 116.53 52.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.214 -175.888 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 43.5 t -142.58 126.82 17.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.158 175.604 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 42.9 mt-30 -103.85 156.64 17.67 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.224 -179.225 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 71.2 tt0 -136.53 128.24 28.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.162 178.785 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 68' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -84.51 127.57 34.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.22 -179.275 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 69' ' ' GLN . . . . . . . . . . . . . 79.2 mm-40 -127.79 76.18 1.66 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.176 172.794 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 93.2 m-20 63.41 -100.67 0.09 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.234 -178.488 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 71' ' ' GLY . . . . . . . . . . . . . . . -108.69 9.58 34.88 Favored Glycine 0 CA--C 1.523 0.587 0 N-CA-C 111.19 -0.764 . . . . 0.0 111.19 -178.431 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 72' ' ' MET . . . . . . . . . . . . . 65.8 ttp -111.32 120.96 43.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.844 0.354 . . . . 0.0 111.194 178.451 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 73' ' ' ASP . . . . . . . . . . . . . 62.2 t0 -94.72 113.79 25.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.166 178.888 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 74' ' ' VAL . . . . . . . . . . . . . 95.9 t -105.58 126.85 60.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.187 -174.73 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 75' ' ' LEU . . . . . . . . . . . . . 48.5 tp -108.82 126.75 53.37 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.241 176.453 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 67.4 tt0 -110.25 118.3 35.97 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.162 175.419 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 85.7 mt -113.39 126.88 55.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.219 177.425 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 78' ' ' ASN . . . . . . . . . . . . . 72.6 m-80 -120.41 113.31 20.15 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.207 177.945 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 79' ' ' ILE . . . . . . . . . . . . . 5.2 mp -118.82 128.07 75.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.204 -170.9 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 80' ' ' THR . . . . . . . . . . . . . 91.4 m -53.6 118.4 3.87 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.219 178.023 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 54.4 tp . . . . . 0 C--O 1.199 -1.555 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.201 -176.91 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 65.5 t0 . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.816 0.341 . . . . 0.0 111.24 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 82.9 mtm180 -136.65 157.46 46.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.165 179.859 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 62.1 mt -117.76 145.92 44.15 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.227 178.025 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 36.2 tt0 -141.17 117.71 10.88 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.159 179.904 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 4.9 mp -120.69 118.94 58.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.198 -179.58 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 87.0 mt -109.49 121.78 63.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.196 -178.559 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 80.2 mt -107.31 114.32 45.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.214 -178.072 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -103.48 138.59 39.99 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.204 -177.718 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 86.9 mt-30 -125.1 121.64 34.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.19 175.481 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 95.5 mt-10 -81.53 163.57 22.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.182 177.596 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 47.0 mtp180 . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.16 -174.336 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 62.9 m-85 . . . . . 0 C--O 1.23 0.061 0 CA-C-O 120.779 0.323 . . . . 0.0 111.244 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.563 ' N ' ' CD ' ' A' ' 41' ' ' PRO . 43.3 tp -68.23 -41.52 25.78 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.224 -178.069 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 41' ' ' PRO . . . . . 0.563 ' CD ' ' N ' ' A' ' 40' ' ' LEU . 92.7 Cg_exo -51.67 -35.25 56.81 Favored 'Trans proline' 0 N--CA 1.459 -0.533 0 C-N-CA 121.628 1.552 . . . . 0.0 111.188 177.609 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 92.5 m -80.02 -41.91 24.83 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.231 -177.851 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 79.4 mt -61.87 -37.36 84.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.186 176.957 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 68.3 ttp85 -59.53 -50.67 72.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.183 174.35 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -63.49 -35.16 79.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.259 177.818 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . . . -62.43 -47.57 83.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.181 179.819 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 88.8 mt -69.45 -50.87 41.51 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.189 -179.568 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 98.0 mtp -58.52 -34.39 70.92 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.173 -175.038 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 89.1 tt0 -61.48 -53.34 57.73 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.17 178.417 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 33.3 m -82.34 -28.71 9.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.226 -170.964 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 84.7 mt -66.67 -40.15 88.47 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.221 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 92.0 p -66.71 -23.21 66.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.223 179.578 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -83.03 -27.38 30.37 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.207 178.859 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 22.4 m-30 -69.37 -37.83 77.76 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.205 -176.742 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 35.6 m -119.52 3.54 6.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.289 -175.377 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 86.9 m-20 58.02 61.56 2.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.204 173.763 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 32.3 m -131.32 167.66 25.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.193 175.814 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 84.7 p -74.41 169.14 18.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.138 172.416 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 96.8 mt -74.86 -15.91 60.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.26 179.795 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -71.41 -12.24 61.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.226 175.701 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 21.8 m120 -95.19 17.05 14.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.203 178.492 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 85.9 mt -118.35 129.01 75.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.203 174.915 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 63' ' ' ARG . . . . . 0.409 ' HB3' ' HB2' ' A' ' 78' ' ' ASN . 79.7 ttt180 -96.19 124.69 40.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.146 -177.733 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 46.0 mm -109.98 102.94 14.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.156 -178.082 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 39.2 t -110.89 111.84 23.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.208 -175.541 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 68.9 tp60 -101.26 122.29 43.42 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.206 179.087 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -127.89 147.97 50.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.161 176.908 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -113.93 102.89 10.63 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.174 -177.386 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 96.0 mm-40 -88.88 59.92 5.26 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.14 178.074 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 90.5 m-20 63.1 -102.8 0.11 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.212 178.716 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -87.44 1.17 85.82 Favored Glycine 0 CA--C 1.522 0.528 0 N-CA-C 111.2 -0.76 . . . . 0.0 111.2 -175.702 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 68.1 ttp -131.42 130.36 42.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.773 0.32 . . . . 0.0 111.208 174.355 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 97.9 m-20 -105.44 138.04 42.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.218 174.099 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 34.8 m -124.65 147.53 29.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.173 -177.126 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 53.6 tp -131.41 115.79 16.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.219 177.614 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -102.0 122.9 44.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.177 -175.339 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 6.0 mp -112.46 112.37 23.87 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.244 -179.152 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 78' ' ' ASN . . . . . 0.409 ' HB2' ' HB3' ' A' ' 63' ' ' ARG . 72.7 m-80 -106.46 135.3 48.21 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.204 -179.371 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 21.6 tt -140.7 145.09 26.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.198 174.146 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 95.8 m -118.45 132.78 56.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.198 -171.258 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 55.1 tp . . . . . 0 C--O 1.199 -1.568 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.213 175.836 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 65.5 t0 . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.816 0.341 . . . . 0.0 111.24 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' B' B ' 21' ' ' ARG . . . . . . . . . . . . . 82.9 mtm180 -136.65 157.46 46.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.165 179.859 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 62.1 mt -117.76 145.92 44.15 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.227 178.025 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 36.2 tt0 -141.17 117.71 10.88 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.159 179.904 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 24' ' ' ILE . . . . . 0.402 HD13 HD11 ' B' ' 51' ' ' LEU . 4.9 mp -120.69 118.94 58.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.198 -179.58 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 25' ' ' ILE . . . . . . . . . . . . . 87.0 mt -109.49 121.78 63.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.196 -178.559 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 80.2 mt -107.31 114.32 45.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.214 -178.072 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -103.48 138.59 39.99 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.204 -177.718 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 28' ' ' GLN . . . . . . . . . . . . . 86.9 mt-30 -125.1 121.64 34.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.19 175.481 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 95.5 mt-10 -81.53 163.57 22.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.182 177.596 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 47.0 mtp180 . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.16 -174.336 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' B' B ' 39' ' ' TYR . . . . . . . . . . . . . 62.9 m-85 . . . . . 0 C--O 1.23 0.061 0 CA-C-O 120.779 0.323 . . . . 0.0 111.244 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' B' B ' 40' ' ' LEU . . . . . 0.576 ' N ' ' CD ' ' B' ' 41' ' ' PRO . 43.3 tp -68.23 -41.52 25.78 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.224 -178.069 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 41' ' ' PRO . . . . . 0.576 ' CD ' ' N ' ' B' ' 40' ' ' LEU . 92.7 Cg_exo -51.67 -35.25 56.81 Favored 'Trans proline' 0 N--CA 1.459 -0.533 0 C-N-CA 121.628 1.552 . . . . 0.0 111.188 177.609 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 92.5 m -80.02 -41.91 24.83 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.231 -177.851 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 79.4 mt -61.87 -37.36 84.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.186 176.957 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 44' ' ' ARG . . . . . . . . . . . . . 68.3 ttp85 -59.53 -50.67 72.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.183 174.35 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 45' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -63.49 -35.16 79.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.259 177.818 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . . . -62.43 -47.57 83.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.181 179.819 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 88.8 mt -69.45 -50.87 41.51 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.189 -179.568 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 48' ' ' MET . . . . . . . . . . . . . 98.0 mtp -58.52 -34.39 70.92 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.173 -175.038 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 89.1 tt0 -61.48 -53.34 57.73 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.17 178.417 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 50' ' ' VAL . . . . . . . . . . . . . 33.3 m -82.34 -28.71 9.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.226 -170.964 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 51' ' ' LEU . . . . . 0.402 HD11 HD13 ' B' ' 24' ' ' ILE . 84.7 mt -66.67 -40.15 88.47 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.221 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 92.0 p -66.71 -23.21 66.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.223 179.578 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -83.03 -27.38 30.37 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.207 178.859 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 22.4 m-30 -69.37 -37.83 77.76 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.205 -176.742 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 55' ' ' VAL . . . . . . . . . . . . . 35.6 m -119.52 3.54 6.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.289 -175.377 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 56' ' ' ASN . . . . . . . . . . . . . 86.9 m-20 58.02 61.56 2.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.204 173.763 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 32.3 m -131.32 167.66 25.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.193 175.814 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 58' ' ' SER . . . . . . . . . . . . . 84.7 p -74.41 169.14 18.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.138 172.416 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 96.8 mt -74.86 -15.91 60.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.26 179.795 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -71.41 -12.24 61.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.226 175.701 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 61' ' ' ASN . . . . . . . . . . . . . 21.8 m120 -95.19 17.05 14.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.203 178.492 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 62' ' ' ILE . . . . . . . . . . . . . 85.9 mt -118.35 129.01 75.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.203 174.915 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 63' ' ' ARG . . . . . 0.41 ' HB3' ' HB2' ' B' ' 78' ' ' ASN . 79.7 ttt180 -96.19 124.69 40.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.146 -177.733 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 64' ' ' ILE . . . . . . . . . . . . . 46.0 mm -109.98 102.94 14.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.156 -178.082 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 39.2 t -110.89 111.84 23.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.208 -175.541 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 68.9 tp60 -101.26 122.29 43.42 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.206 179.087 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -127.89 147.97 50.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.161 176.908 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 68' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -113.93 102.89 10.63 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.174 -177.386 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 69' ' ' GLN . . . . . . . . . . . . . 96.0 mm-40 -88.88 59.92 5.26 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.14 178.074 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 90.5 m-20 63.1 -102.8 0.11 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.212 178.716 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 71' ' ' GLY . . . . . . . . . . . . . . . -87.44 1.17 85.82 Favored Glycine 0 CA--C 1.522 0.528 0 N-CA-C 111.2 -0.76 . . . . 0.0 111.2 -175.702 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 72' ' ' MET . . . . . . . . . . . . . 68.1 ttp -131.42 130.36 42.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.773 0.32 . . . . 0.0 111.208 174.355 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 73' ' ' ASP . . . . . . . . . . . . . 97.9 m-20 -105.44 138.04 42.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.218 174.099 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 74' ' ' VAL . . . . . . . . . . . . . 34.8 m -124.65 147.53 29.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.173 -177.126 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 75' ' ' LEU . . . . . . . . . . . . . 53.6 tp -131.41 115.79 16.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.219 177.614 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -102.0 122.9 44.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.177 -175.339 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 6.0 mp -112.46 112.37 23.87 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.244 -179.152 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 78' ' ' ASN . . . . . 0.41 ' HB2' ' HB3' ' B' ' 63' ' ' ARG . 72.7 m-80 -106.46 135.3 48.21 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.204 -179.371 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 79' ' ' ILE . . . . . . . . . . . . . 21.6 tt -140.7 145.09 26.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.198 174.146 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 80' ' ' THR . . . . . . . . . . . . . 95.8 m -118.45 132.78 56.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.198 -171.258 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 55.1 tp . . . . . 0 C--O 1.199 -1.568 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.213 175.836 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 61.4 t0 . . . . . 0 N--CA 1.457 -0.093 0 CA-C-O 120.781 0.324 . . . . 0.0 111.198 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 85.3 mtp180 -124.24 141.87 51.71 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.189 -176.589 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 5.2 mp -120.09 143.5 48.1 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.205 -179.091 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 92.9 mm-40 -119.94 128.13 53.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.215 171.901 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.495 ' HB ' ' HB2' ' A' ' 77' ' ' LEU . 68.8 mt -114.54 108.36 25.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.17 171.965 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 43.9 mm -100.4 114.63 39.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.222 -179.288 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 36.0 mm -104.09 100.05 9.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.159 178.43 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -109.17 109.82 20.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.269 -176.638 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 66.3 tt0 -103.43 101.63 11.53 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.214 178.194 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -93.48 133.34 36.86 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.219 -173.945 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.215 -174.298 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 61.1 t80 . . . . . 0 C--O 1.232 0.144 0 CA-C-O 120.769 0.319 . . . . 0.0 111.197 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.58 ' N ' ' CD ' ' A' ' 41' ' ' PRO . 85.6 mt -68.27 -40.57 21.27 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.203 178.772 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 41' ' ' PRO . . . . . 0.58 ' CD ' ' N ' ' A' ' 40' ' ' LEU . 74.6 Cg_exo -50.77 -33.36 40.31 Favored 'Trans proline' 0 N--CA 1.458 -0.607 0 C-N-CA 121.7 1.6 . . . . 0.0 111.192 179.207 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 82.7 p -87.71 -26.62 22.86 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.19 -175.822 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 97.1 mt -75.39 -31.64 60.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.173 171.9 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 81.1 mtp180 -65.18 -43.13 92.67 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.216 173.893 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -69.72 -31.43 69.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.223 175.294 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . . . -64.54 -48.87 73.46 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.138 176.505 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 90.7 mt -61.31 -35.79 78.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.248 177.696 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 60.1 ttp -59.0 -49.76 76.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.239 175.298 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -66.68 -40.05 88.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.259 -177.887 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 53.0 t -63.37 -51.2 73.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.148 177.764 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 80.9 mt -62.97 -35.94 81.82 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.156 -179.148 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 68.2 m -73.98 -34.06 64.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.142 179.425 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 83.0 tttt -74.25 -61.99 1.67 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.203 -177.276 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 89.6 m-85 -83.14 -40.04 20.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.205 -163.795 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 34.7 m -118.72 9.78 6.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.214 -171.597 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 87.4 m-20 56.21 50.07 14.17 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.178 167.177 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.411 HG11 HG23 ' A' ' 79' ' ' ILE . 71.4 t -109.89 140.05 30.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.232 175.213 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 83.0 p -89.95 162.58 15.34 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.161 -175.992 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 39.4 tp -61.56 -30.06 70.41 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.178 174.473 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -68.18 -37.41 80.92 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.198 177.443 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 94.6 m-20 -77.49 -3.71 41.87 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.183 178.31 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 70.3 mt -108.91 117.03 53.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.166 177.236 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 79.4 ttt180 -109.84 117.22 33.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.191 175.741 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.411 HG12 ' HG ' ' A' ' 77' ' ' LEU . 86.6 mt -105.55 117.62 51.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.157 -176.309 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 39.9 t -111.34 116.53 31.14 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.261 178.049 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 66.2 tt0 -91.18 116.2 28.63 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.222 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -115.71 140.42 49.21 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.155 179.62 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -102.79 112.98 26.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.185 -179.671 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 69' ' ' GLN . . . . . 0.554 ' O ' ' HB3' ' A' ' 70' ' ' ASP . 99.6 mm-40 -108.31 47.71 0.89 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.16 174.003 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 70' ' ' ASP . . . . . 0.554 ' HB3' ' O ' ' A' ' 69' ' ' GLN . 51.7 t0 84.52 -97.31 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.176 177.491 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -99.29 -6.46 55.4 Favored Glycine 0 CA--C 1.523 0.578 0 N-CA-C 111.196 -0.762 . . . . 0.0 111.196 175.069 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 72' ' ' MET . . . . . 0.406 ' HB3' ' HB2' ' A' ' 69' ' ' GLN . 56.5 ttm -101.19 115.53 30.7 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.809 0.338 . . . . 0.0 111.165 176.768 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 53.9 t0 -99.92 115.67 30.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.167 176.119 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 96.7 t -108.93 124.59 65.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.188 -173.465 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 56.0 mt -107.63 115.17 29.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.217 174.367 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -98.7 115.07 27.9 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.229 -179.183 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.495 ' HB2' ' HB ' ' A' ' 24' ' ' ILE . 9.1 mp -97.36 110.58 23.1 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.204 175.344 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 51.9 t30 -92.69 102.41 14.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.192 174.238 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.411 HG23 HG11 ' A' ' 57' ' ' VAL . 74.7 mt -109.35 119.56 58.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.167 -166.938 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 97.6 m -94.75 113.99 25.83 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.19 170.854 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 53.8 tp . . . . . 0 C--O 1.2 -1.509 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.242 -178.585 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 61.4 t0 . . . . . 0 N--CA 1.457 -0.093 0 CA-C-O 120.781 0.324 . . . . 0.0 111.198 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' B' B ' 21' ' ' ARG . . . . . . . . . . . . . 85.3 mtp180 -124.24 141.87 51.71 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.189 -176.589 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 5.2 mp -120.09 143.5 48.1 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.205 -179.091 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 92.9 mm-40 -119.94 128.13 53.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.215 171.901 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 24' ' ' ILE . . . . . 0.493 ' HB ' ' HB2' ' B' ' 77' ' ' LEU . 68.8 mt -114.54 108.36 25.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.17 171.965 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 25' ' ' ILE . . . . . . . . . . . . . 43.9 mm -100.4 114.63 39.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.222 -179.288 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 36.0 mm -104.09 100.05 9.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.159 178.43 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -109.17 109.82 20.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.269 -176.638 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 28' ' ' GLN . . . . . . . . . . . . . 66.3 tt0 -103.43 101.63 11.53 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.214 178.194 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -93.48 133.34 36.86 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.219 -173.945 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.215 -174.298 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' B' B ' 39' ' ' TYR . . . . . . . . . . . . . 61.1 t80 . . . . . 0 C--O 1.232 0.144 0 CA-C-O 120.769 0.319 . . . . 0.0 111.197 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' B' B ' 40' ' ' LEU . . . . . 0.563 ' N ' ' CD ' ' B' ' 41' ' ' PRO . 85.6 mt -68.27 -40.57 21.27 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.203 178.772 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 41' ' ' PRO . . . . . 0.563 ' CD ' ' N ' ' B' ' 40' ' ' LEU . 74.6 Cg_exo -50.77 -33.36 40.31 Favored 'Trans proline' 0 N--CA 1.458 -0.607 0 C-N-CA 121.7 1.6 . . . . 0.0 111.192 179.207 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 82.7 p -87.71 -26.62 22.86 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.19 -175.822 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 97.1 mt -75.39 -31.64 60.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.173 171.9 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 44' ' ' ARG . . . . . . . . . . . . . 81.1 mtp180 -65.18 -43.13 92.67 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.216 173.893 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 45' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -69.72 -31.43 69.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.223 175.294 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . . . -64.54 -48.87 73.46 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.138 176.505 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 90.7 mt -61.31 -35.79 78.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.248 177.696 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 48' ' ' MET . . . . . . . . . . . . . 60.1 ttp -59.0 -49.76 76.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.239 175.298 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -66.68 -40.05 88.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.259 -177.887 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 50' ' ' VAL . . . . . . . . . . . . . 53.0 t -63.37 -51.2 73.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.148 177.764 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 80.9 mt -62.97 -35.94 81.82 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.156 -179.148 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 68.2 m -73.98 -34.06 64.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.142 179.425 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 83.0 tttt -74.25 -61.99 1.67 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.203 -177.276 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 89.6 m-85 -83.14 -40.04 20.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.205 -163.795 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 55' ' ' VAL . . . . . . . . . . . . . 34.7 m -118.72 9.78 6.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.214 -171.597 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 56' ' ' ASN . . . . . . . . . . . . . 87.4 m-20 56.21 50.07 14.17 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.178 167.177 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 57' ' ' VAL . . . . . 0.42 HG11 HG23 ' B' ' 79' ' ' ILE . 71.4 t -109.89 140.05 30.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.232 175.213 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 58' ' ' SER . . . . . . . . . . . . . 83.0 p -89.95 162.58 15.34 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.161 -175.992 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 39.4 tp -61.56 -30.06 70.41 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.178 174.473 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -68.18 -37.41 80.92 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.198 177.443 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 61' ' ' ASN . . . . . . . . . . . . . 94.6 m-20 -77.49 -3.71 41.87 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.183 178.31 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 62' ' ' ILE . . . . . . . . . . . . . 70.3 mt -108.91 117.03 53.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.166 177.236 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 63' ' ' ARG . . . . . . . . . . . . . 79.4 ttt180 -109.84 117.22 33.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.191 175.741 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 64' ' ' ILE . . . . . 0.413 HG12 ' HG ' ' B' ' 77' ' ' LEU . 86.6 mt -105.55 117.62 51.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.157 -176.309 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 39.9 t -111.34 116.53 31.14 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.261 178.049 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 66.2 tt0 -91.18 116.2 28.63 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.222 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -115.71 140.42 49.21 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.155 179.62 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 68' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -102.79 112.98 26.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.185 -179.671 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 69' ' ' GLN . . . . . 0.549 ' O ' ' HB3' ' B' ' 70' ' ' ASP . 99.6 mm-40 -108.31 47.71 0.89 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.16 174.003 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 70' ' ' ASP . . . . . 0.549 ' HB3' ' O ' ' B' ' 69' ' ' GLN . 51.7 t0 84.52 -97.31 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.176 177.491 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 71' ' ' GLY . . . . . . . . . . . . . . . -99.29 -6.46 55.4 Favored Glycine 0 CA--C 1.523 0.578 0 N-CA-C 111.196 -0.762 . . . . 0.0 111.196 175.069 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 72' ' ' MET . . . . . 0.423 ' HB3' ' HB2' ' B' ' 69' ' ' GLN . 56.5 ttm -101.19 115.53 30.7 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.809 0.338 . . . . 0.0 111.165 176.768 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 73' ' ' ASP . . . . . . . . . . . . . 53.9 t0 -99.92 115.67 30.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.167 176.119 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 74' ' ' VAL . . . . . . . . . . . . . 96.7 t -108.93 124.59 65.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.188 -173.465 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 75' ' ' LEU . . . . . . . . . . . . . 56.0 mt -107.63 115.17 29.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.217 174.367 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -98.7 115.07 27.9 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.229 -179.183 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 77' ' ' LEU . . . . . 0.493 ' HB2' ' HB ' ' B' ' 24' ' ' ILE . 9.1 mp -97.36 110.58 23.1 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.204 175.344 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 78' ' ' ASN . . . . . . . . . . . . . 51.9 t30 -92.69 102.41 14.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.192 174.238 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 79' ' ' ILE . . . . . 0.42 HG23 HG11 ' B' ' 57' ' ' VAL . 74.7 mt -109.35 119.56 58.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.167 -166.938 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 80' ' ' THR . . . . . . . . . . . . . 97.6 m -94.75 113.99 25.83 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.19 170.854 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 53.8 tp . . . . . 0 C--O 1.2 -1.509 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.242 -178.585 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 53.1 p . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.842 0.353 . . . . 0.0 111.176 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 76.9 t -58.99 -39.13 77.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.243 176.753 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.78 -43.94 97.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.175 176.925 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -73.38 -23.28 60.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.184 -178.022 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 92.6 m-20 -66.13 163.65 17.16 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.216 178.849 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 72.3 ttt180 -96.68 124.33 40.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.196 -179.86 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 55.8 tp -112.65 113.82 26.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.146 -179.107 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 46.3 tt0 -117.87 125.41 50.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.168 -178.446 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 69.9 mt -131.18 119.14 43.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.203 -178.105 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 89.6 mt -116.26 123.78 71.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.19 -177.299 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 4.8 mp -111.51 120.1 61.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.21 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -120.19 125.75 48.96 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.185 -175.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 0.407 ' O ' ' HA ' ' A' ' 72' ' ' MET . 58.3 tt0 -108.23 102.33 11.47 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.22 171.772 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.404 ' HG2' ' HG3' ' A' ' 30' ' ' ARG . 86.2 tt0 -88.27 134.37 33.82 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.22 -172.532 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.404 ' HG3' ' HG2' ' A' ' 29' ' ' GLU . 99.5 mtt180 61.71 58.74 1.93 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.234 -176.162 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -77.26 123.46 26.49 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.182 -169.898 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 72.8 tp60 -67.12 116.69 8.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.187 176.294 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 99.5 mt-10 -82.49 -18.63 40.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.206 -176.031 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -73.3 -23.05 78.18 Favored Glycine 0 CA--C 1.523 0.585 0 N-CA-C 111.193 -0.763 . . . . 0.0 111.193 175.509 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 99.3 mm-40 -106.94 171.49 7.34 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.793 0.33 . . . . 0.0 111.264 177.888 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 92.7 m -126.96 124.08 23.82 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.157 179.882 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 86.5 Cg_exo -52.24 112.15 0.8 Allowed 'Trans proline' 0 N--CA 1.459 -0.538 0 C-N-CA 121.738 1.625 . . . . 0.0 111.155 176.603 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 54.9 p-10 -103.64 28.22 6.75 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.226 177.596 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 40.3 p90 -125.7 -24.13 3.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.197 -177.331 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.571 ' N ' ' CD ' ' A' ' 41' ' ' PRO . 78.1 mt -70.27 -42.08 15.28 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.175 -177.822 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' PRO . . . . . 0.571 ' CD ' ' N ' ' A' ' 40' ' ' LEU . 95.2 Cg_exo -51.1 -38.37 59.92 Favored 'Trans proline' 0 N--CA 1.457 -0.627 0 C-N-CA 121.759 1.639 . . . . 0.0 111.204 177.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 96.0 m -72.4 -42.47 65.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.153 177.422 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.422 ' O ' ' HG ' ' A' ' 47' ' ' LEU . 79.7 mt -62.86 -35.25 79.37 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.187 178.168 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 98.6 mtt180 -57.92 -45.86 85.87 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.23 177.454 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -66.78 -32.88 74.45 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.181 174.237 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . . . -70.22 -31.93 69.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.209 -176.776 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.422 ' HG ' ' O ' ' A' ' 43' ' ' LEU . 79.3 mt -95.06 -32.72 12.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.24 -174.408 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 99.1 mtp -83.37 -51.23 7.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.233 -178.37 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 99.5 mt-10 -93.63 -50.85 5.2 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.186 -170.783 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 73.6 t -71.13 -53.12 22.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.279 -167.14 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 68.3 mt -64.77 -36.69 85.13 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.243 -179.767 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 36.6 t -53.35 -40.19 64.72 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.224 -179.832 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -69.75 -24.47 63.54 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.243 -177.48 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 20.2 m-85 -82.73 -31.69 28.31 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.234 -176.919 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 35.7 m -109.08 -6.83 11.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.15 -177.692 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 87.2 m-20 56.85 47.3 18.19 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.171 178.748 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 83.8 t -119.22 137.28 53.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.188 -179.691 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 83.6 p -77.76 159.21 29.21 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.236 -174.248 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 93.7 mt -67.69 -18.24 64.85 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.201 177.609 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -70.7 -35.61 72.85 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.187 172.254 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 90.0 m-20 -91.52 7.18 42.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.187 178.794 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.427 HG12 HG12 ' A' ' 79' ' ' ILE . 97.4 mt -113.69 127.58 70.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.178 176.095 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 79.7 ttt180 -102.41 123.11 45.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.221 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 91.6 mt -126.17 125.27 67.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.168 178.286 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 43.8 t -135.39 107.62 7.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.187 -177.879 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 64.6 tt0 -94.8 121.33 36.27 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.145 172.55 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 87.5 tt0 -143.56 131.25 21.31 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.185 -175.73 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 86.2 tttt -101.9 115.73 31.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.208 -179.597 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 80.6 mm-40 -120.98 147.86 44.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.231 172.28 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 77.6 m-20 47.81 -118.39 0.95 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.217 -170.025 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -112.12 12.15 26.64 Favored Glycine 0 CA--C 1.523 0.551 0 N-CA-C 111.242 -0.743 . . . . 0.0 111.242 175.286 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' MET . . . . . 0.407 ' HA ' ' O ' ' A' ' 28' ' ' GLN . 60.5 ttm -107.24 126.93 53.05 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.87 0.367 . . . . 0.0 111.202 -177.586 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 65.2 t0 -96.82 114.7 26.35 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.251 172.168 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 93.8 t -107.82 125.78 64.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.202 -174.275 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 65.6 tp -113.78 110.06 19.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.202 174.519 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 75.1 tt0 -101.68 127.96 48.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.208 -173.054 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 41.2 tp -114.38 129.65 56.66 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.173 176.442 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 69.9 m-80 -128.8 106.18 8.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.207 171.158 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.427 HG12 HG12 ' A' ' 62' ' ' ILE . 69.3 mt -102.62 115.13 44.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.198 177.045 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 71.5 p -123.13 163.46 20.52 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.205 -177.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 54.4 tp . . . . . 0 C--O 1.2 -1.508 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.178 -179.332 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 16' ' ' THR . . . . . . . . . . . . . 53.1 p . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.842 0.353 . . . . 0.0 111.176 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 76.9 t -58.99 -39.13 77.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.243 176.753 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.78 -43.94 97.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.175 176.925 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -73.38 -23.28 60.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.184 -178.022 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 92.6 m-20 -66.13 163.65 17.16 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.216 178.849 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 21' ' ' ARG . . . . . . . . . . . . . 72.3 ttt180 -96.68 124.33 40.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.196 -179.86 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 55.8 tp -112.65 113.82 26.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.146 -179.107 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 46.3 tt0 -117.87 125.41 50.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.168 -178.446 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 24' ' ' ILE . . . . . . . . . . . . . 69.9 mt -131.18 119.14 43.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.203 -178.105 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 25' ' ' ILE . . . . . . . . . . . . . 89.6 mt -116.26 123.78 71.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.19 -177.299 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 4.8 mp -111.51 120.1 61.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.21 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -120.19 125.75 48.96 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.185 -175.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 28' ' ' GLN . . . . . 0.406 ' O ' ' HA ' ' B' ' 72' ' ' MET . 58.3 tt0 -108.23 102.33 11.47 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.22 171.772 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 86.2 tt0 -88.27 134.37 33.82 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.22 -172.532 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 61.71 58.74 1.93 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.234 -176.162 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -77.26 123.46 26.49 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.182 -169.898 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 72.8 tp60 -67.12 116.69 8.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.187 176.294 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 99.5 mt-10 -82.49 -18.63 40.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.206 -176.031 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -73.3 -23.05 78.18 Favored Glycine 0 CA--C 1.523 0.585 0 N-CA-C 111.193 -0.763 . . . . 0.0 111.193 175.509 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 35' ' ' GLN . . . . . . . . . . . . . 99.3 mm-40 -106.94 171.49 7.34 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.793 0.33 . . . . 0.0 111.264 177.888 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 36' ' ' THR . . . . . . . . . . . . . 92.7 m -126.96 124.08 23.82 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.157 179.882 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 86.5 Cg_exo -52.24 112.15 0.8 Allowed 'Trans proline' 0 N--CA 1.459 -0.538 0 C-N-CA 121.738 1.625 . . . . 0.0 111.155 176.603 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 54.9 p-10 -103.64 28.22 6.75 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.226 177.596 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 39' ' ' TYR . . . . . . . . . . . . . 40.3 p90 -125.7 -24.13 3.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.197 -177.331 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 40' ' ' LEU . . . . . 0.57 ' N ' ' CD ' ' B' ' 41' ' ' PRO . 78.1 mt -70.27 -42.08 15.28 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.175 -177.822 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 41' ' ' PRO . . . . . 0.57 ' CD ' ' N ' ' B' ' 40' ' ' LEU . 95.2 Cg_exo -51.1 -38.37 59.92 Favored 'Trans proline' 0 N--CA 1.457 -0.627 0 C-N-CA 121.759 1.639 . . . . 0.0 111.204 177.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 96.0 m -72.4 -42.47 65.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.153 177.422 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 43' ' ' LEU . . . . . 0.424 ' O ' ' HG ' ' B' ' 47' ' ' LEU . 79.7 mt -62.86 -35.25 79.37 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.187 178.168 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 44' ' ' ARG . . . . . . . . . . . . . 98.6 mtt180 -57.92 -45.86 85.87 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.23 177.454 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 45' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -66.78 -32.88 74.45 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.181 174.237 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . . . -70.22 -31.93 69.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.209 -176.776 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 47' ' ' LEU . . . . . 0.424 ' HG ' ' O ' ' B' ' 43' ' ' LEU . 79.3 mt -95.06 -32.72 12.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.24 -174.408 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 48' ' ' MET . . . . . . . . . . . . . 99.1 mtp -83.37 -51.23 7.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.233 -178.37 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 99.5 mt-10 -93.63 -50.85 5.2 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.186 -170.783 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 50' ' ' VAL . . . . . . . . . . . . . 73.6 t -71.13 -53.12 22.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.279 -167.14 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 68.3 mt -64.77 -36.69 85.13 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.243 -179.767 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 36.6 t -53.35 -40.19 64.72 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.224 -179.832 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -69.75 -24.47 63.54 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.243 -177.48 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 20.2 m-85 -82.73 -31.69 28.31 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.234 -176.919 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 55' ' ' VAL . . . . . . . . . . . . . 35.7 m -109.08 -6.83 11.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.15 -177.692 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 56' ' ' ASN . . . . . . . . . . . . . 87.2 m-20 56.85 47.3 18.19 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.171 178.748 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 83.8 t -119.22 137.28 53.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.188 -179.691 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 58' ' ' SER . . . . . . . . . . . . . 83.6 p -77.76 159.21 29.21 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.236 -174.248 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 93.7 mt -67.69 -18.24 64.85 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.201 177.609 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -70.7 -35.61 72.85 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.187 172.254 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 61' ' ' ASN . . . . . . . . . . . . . 90.0 m-20 -91.52 7.18 42.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.187 178.794 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 62' ' ' ILE . . . . . 0.432 HG12 HG12 ' B' ' 79' ' ' ILE . 97.4 mt -113.69 127.58 70.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.178 176.095 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 63' ' ' ARG . . . . . . . . . . . . . 79.7 ttt180 -102.41 123.11 45.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.221 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 64' ' ' ILE . . . . . . . . . . . . . 91.6 mt -126.17 125.27 67.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.168 178.286 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 43.8 t -135.39 107.62 7.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.187 -177.879 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 64.6 tt0 -94.8 121.33 36.27 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.145 172.55 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 87.5 tt0 -143.56 131.25 21.31 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.185 -175.73 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 68' ' ' LYS . . . . . . . . . . . . . 86.2 tttt -101.9 115.73 31.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.208 -179.597 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 69' ' ' GLN . . . . . . . . . . . . . 80.6 mm-40 -120.98 147.86 44.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.231 172.28 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 77.6 m-20 47.81 -118.39 0.95 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.217 -170.025 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 71' ' ' GLY . . . . . . . . . . . . . . . -112.12 12.15 26.64 Favored Glycine 0 CA--C 1.523 0.551 0 N-CA-C 111.242 -0.743 . . . . 0.0 111.242 175.286 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 72' ' ' MET . . . . . 0.406 ' HA ' ' O ' ' B' ' 28' ' ' GLN . 60.5 ttm -107.24 126.93 53.05 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.87 0.367 . . . . 0.0 111.202 -177.586 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 73' ' ' ASP . . . . . . . . . . . . . 65.2 t0 -96.82 114.7 26.35 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.251 172.168 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 74' ' ' VAL . . . . . . . . . . . . . 93.8 t -107.82 125.78 64.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.202 -174.275 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 75' ' ' LEU . . . . . . . . . . . . . 65.6 tp -113.78 110.06 19.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.202 174.519 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 75.1 tt0 -101.68 127.96 48.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.208 -173.054 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 41.2 tp -114.38 129.65 56.66 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.173 176.442 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 78' ' ' ASN . . . . . . . . . . . . . 69.9 m-80 -128.8 106.18 8.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.207 171.158 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 79' ' ' ILE . . . . . 0.432 HG12 HG12 ' B' ' 62' ' ' ILE . 69.3 mt -102.62 115.13 44.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.198 177.045 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 80' ' ' THR . . . . . . . . . . . . . 71.5 p -123.13 163.46 20.52 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.205 -177.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 54.4 tp . . . . . 0 C--O 1.2 -1.508 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.178 -179.332 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 98.5 m . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.766 0.317 . . . . 0.0 111.242 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 35.5 m -120.04 -14.7 8.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.218 178.195 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -76.03 151.77 37.08 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.254 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -63.73 130.64 45.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.196 177.719 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 6.0 t0 -159.11 179.29 9.17 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.197 -175.05 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 62.1 ttp180 -155.06 134.77 12.76 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.197 178.876 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 65.8 mt -117.09 150.1 39.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.184 176.273 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 37.3 tt0 -143.26 122.82 13.23 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.231 177.739 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 87.6 mt -123.73 125.14 70.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.19 178.854 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 47.6 mm -111.15 117.71 55.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.183 177.442 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 87.2 mt -110.95 107.08 22.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.21 179.037 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -101.29 115.59 30.85 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.155 -176.643 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 62.0 tt0 -109.06 104.21 13.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.211 176.741 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 89.6 mt-10 -73.3 133.24 43.83 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.178 178.327 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 75.5 mtp85 -121.3 -115.76 0.31 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.181 -176.513 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -172.79 172.71 4.04 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.22 -174.613 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 73.3 tp60 -65.7 107.33 1.73 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.231 174.729 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 94.7 mt-10 54.62 39.74 31.41 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.244 -172.68 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -68.26 149.38 49.93 Favored Glycine 0 CA--C 1.523 0.589 0 N-CA-C 111.202 -0.759 . . . . 0.0 111.202 179.047 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 97.2 mm-40 -124.64 31.1 5.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.772 0.32 . . . . 0.0 111.223 -173.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 60.2 p -80.29 158.88 71.29 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.197 179.469 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 77.7 Cg_exo -59.24 113.17 1.48 Allowed 'Trans proline' 0 N--CA 1.458 -0.581 0 C-N-CA 121.638 1.559 . . . . 0.0 111.216 -178.362 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 65.5 t0 -72.26 117.85 14.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.194 169.82 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 65.1 m-85 -97.26 -8.42 29.85 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.241 -171.722 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.634 ' N ' ' CD ' ' A' ' 41' ' ' PRO . 94.5 mt -69.22 -37.97 9.83 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.203 -168.395 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' PRO . . . . . 0.634 ' CD ' ' N ' ' A' ' 40' ' ' LEU . 98.9 Cg_exo -53.53 -31.93 61.24 Favored 'Trans proline' 0 N--CA 1.459 -0.557 0 C-N-CA 121.687 1.592 . . . . 0.0 111.182 -179.385 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 65.0 p -92.55 -28.65 16.63 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.21 -178.819 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 91.7 mt -75.87 -30.67 58.95 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.181 -178.042 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 35.0 ptt180 -65.65 -21.24 66.54 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.227 175.878 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -98.64 -38.5 9.1 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.192 178.268 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . . . -55.2 -62.55 1.59 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.128 -177.469 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 87.5 mt -63.19 -42.59 99.35 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.14 -176.944 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 36.2 mmt -75.74 -35.28 60.24 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.216 -166.72 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -74.42 -37.42 63.34 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.209 -179.747 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 71.3 t -72.34 -48.14 49.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.197 178.464 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.427 ' O ' HG22 ' A' ' 55' ' ' VAL . 87.8 mt -66.69 -30.62 70.91 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.183 -179.264 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 37.8 t -47.47 -45.74 26.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.2 -178.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -78.11 -14.63 59.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.192 -176.792 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 21.9 m-30 -90.56 -32.47 16.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.182 179.202 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.427 HG22 ' O ' ' A' ' 51' ' ' LEU . 23.1 m -100.63 -12.24 8.54 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.228 -178.443 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 82.3 m-20 65.14 46.06 2.83 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.18 179.559 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 96.8 t -129.52 136.66 58.76 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.228 -179.135 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 31.4 t -71.8 147.58 47.11 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.21 -175.408 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 94.1 mt -60.55 -27.85 67.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.145 175.814 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -67.7 -36.04 79.92 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.151 175.78 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 98.2 m-20 -76.2 -27.32 56.82 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.154 178.033 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 96.6 mt -75.5 133.95 30.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.226 179.197 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 79.6 ttt180 -100.13 123.91 44.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.207 -174.931 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 85.1 mt -120.56 118.49 56.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.225 179.132 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 43.9 t -135.15 104.04 5.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.178 -178.162 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 59.7 tt0 -94.53 135.63 35.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.144 171.576 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -141.55 132.36 25.8 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.215 -176.867 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -77.68 135.01 38.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.213 175.703 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 71.1 tp60 -133.52 112.98 11.96 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.153 178.065 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 80.6 m-20 58.14 -106.84 0.33 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.228 -176.565 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -121.05 40.11 2.22 Favored Glycine 0 CA--C 1.523 0.58 0 N-CA-C 111.207 -0.757 . . . . 0.0 111.207 178.651 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 28.5 ptm -155.06 166.45 33.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.774 0.321 . . . . 0.0 111.227 176.593 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 86.9 m-20 -118.99 138.09 53.06 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.189 179.57 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 95.8 t -123.36 132.09 72.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.2 179.514 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 56.6 tp -112.01 123.23 49.8 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.239 -178.164 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 79.2 tt0 -107.6 120.23 41.62 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.173 179.635 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 55.9 mt -120.15 109.31 15.29 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.196 -176.624 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 79.1 m-20 -111.63 131.15 55.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.192 -178.36 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 79.9 mt -117.75 125.37 74.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.192 175.845 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 98.0 m -101.98 120.95 41.23 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.223 177.251 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 6.8 mp . . . . . 0 C--O 1.199 -1.577 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.17 -178.41 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 16' ' ' THR . . . . . . . . . . . . . 98.5 m . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.766 0.317 . . . . 0.0 111.242 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 35.5 m -120.04 -14.7 8.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.218 178.195 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -76.03 151.77 37.08 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.254 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -63.73 130.64 45.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.196 177.719 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 6.0 t0 -159.11 179.29 9.17 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.197 -175.05 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 21' ' ' ARG . . . . . . . . . . . . . 62.1 ttp180 -155.06 134.77 12.76 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.197 178.876 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 65.8 mt -117.09 150.1 39.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.184 176.273 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 37.3 tt0 -143.26 122.82 13.23 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.231 177.739 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 24' ' ' ILE . . . . . . . . . . . . . 87.6 mt -123.73 125.14 70.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.19 178.854 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 25' ' ' ILE . . . . . . . . . . . . . 47.6 mm -111.15 117.71 55.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.183 177.442 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 87.2 mt -110.95 107.08 22.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.21 179.037 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -101.29 115.59 30.85 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.155 -176.643 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 28' ' ' GLN . . . . . . . . . . . . . 62.0 tt0 -109.06 104.21 13.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.211 176.741 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 89.6 mt-10 -73.3 133.24 43.83 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.178 178.327 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 75.5 mtp85 -121.3 -115.76 0.31 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.181 -176.513 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -172.79 172.71 4.04 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.22 -174.613 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 73.3 tp60 -65.7 107.33 1.73 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.231 174.729 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 94.7 mt-10 54.62 39.74 31.41 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.244 -172.68 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -68.26 149.38 49.93 Favored Glycine 0 CA--C 1.523 0.589 0 N-CA-C 111.202 -0.759 . . . . 0.0 111.202 179.047 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 35' ' ' GLN . . . . . . . . . . . . . 97.2 mm-40 -124.64 31.1 5.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.772 0.32 . . . . 0.0 111.223 -173.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 36' ' ' THR . . . . . . . . . . . . . 60.2 p -80.29 158.88 71.29 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.197 179.469 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 77.7 Cg_exo -59.24 113.17 1.48 Allowed 'Trans proline' 0 N--CA 1.458 -0.581 0 C-N-CA 121.638 1.559 . . . . 0.0 111.216 -178.362 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 65.5 t0 -72.26 117.85 14.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.194 169.82 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 39' ' ' TYR . . . . . . . . . . . . . 65.1 m-85 -97.26 -8.42 29.85 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.241 -171.722 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 40' ' ' LEU . . . . . 0.635 ' N ' ' CD ' ' B' ' 41' ' ' PRO . 94.5 mt -69.22 -37.97 9.83 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.203 -168.395 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 41' ' ' PRO . . . . . 0.635 ' CD ' ' N ' ' B' ' 40' ' ' LEU . 98.9 Cg_exo -53.53 -31.93 61.24 Favored 'Trans proline' 0 N--CA 1.459 -0.557 0 C-N-CA 121.687 1.592 . . . . 0.0 111.182 -179.385 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 65.0 p -92.55 -28.65 16.63 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.21 -178.819 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 91.7 mt -75.87 -30.67 58.95 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.181 -178.042 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 44' ' ' ARG . . . . . . . . . . . . . 35.0 ptt180 -65.65 -21.24 66.54 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.227 175.878 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 45' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -98.64 -38.5 9.1 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.192 178.268 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . . . -55.2 -62.55 1.59 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.128 -177.469 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 87.5 mt -63.19 -42.59 99.35 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.14 -176.944 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 48' ' ' MET . . . . . . . . . . . . . 36.2 mmt -75.74 -35.28 60.24 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.216 -166.72 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -74.42 -37.42 63.34 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.209 -179.747 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 50' ' ' VAL . . . . . . . . . . . . . 71.3 t -72.34 -48.14 49.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.197 178.464 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 51' ' ' LEU . . . . . 0.413 ' O ' HG22 ' B' ' 55' ' ' VAL . 87.8 mt -66.69 -30.62 70.91 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.183 -179.264 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 37.8 t -47.47 -45.74 26.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.2 -178.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -78.11 -14.63 59.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.192 -176.792 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 21.9 m-30 -90.56 -32.47 16.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.182 179.202 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 55' ' ' VAL . . . . . 0.413 HG22 ' O ' ' B' ' 51' ' ' LEU . 23.1 m -100.63 -12.24 8.54 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.228 -178.443 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 56' ' ' ASN . . . . . . . . . . . . . 82.3 m-20 65.14 46.06 2.83 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.18 179.559 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 96.8 t -129.52 136.66 58.76 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.228 -179.135 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 58' ' ' SER . . . . . . . . . . . . . 31.4 t -71.8 147.58 47.11 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.21 -175.408 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 94.1 mt -60.55 -27.85 67.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.145 175.814 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -67.7 -36.04 79.92 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.151 175.78 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 61' ' ' ASN . . . . . . . . . . . . . 98.2 m-20 -76.2 -27.32 56.82 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.154 178.033 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 62' ' ' ILE . . . . . . . . . . . . . 96.6 mt -75.5 133.95 30.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.226 179.197 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 63' ' ' ARG . . . . . . . . . . . . . 79.6 ttt180 -100.13 123.91 44.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.207 -174.931 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 64' ' ' ILE . . . . . . . . . . . . . 85.1 mt -120.56 118.49 56.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.225 179.132 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 43.9 t -135.15 104.04 5.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.178 -178.162 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 59.7 tt0 -94.53 135.63 35.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.144 171.576 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -141.55 132.36 25.8 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.215 -176.867 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 68' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -77.68 135.01 38.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.213 175.703 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 69' ' ' GLN . . . . . . . . . . . . . 71.1 tp60 -133.52 112.98 11.96 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.153 178.065 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 80.6 m-20 58.14 -106.84 0.33 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.228 -176.565 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 71' ' ' GLY . . . . . . . . . . . . . . . -121.05 40.11 2.22 Favored Glycine 0 CA--C 1.523 0.58 0 N-CA-C 111.207 -0.757 . . . . 0.0 111.207 178.651 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 72' ' ' MET . . . . . . . . . . . . . 28.5 ptm -155.06 166.45 33.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.774 0.321 . . . . 0.0 111.227 176.593 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 73' ' ' ASP . . . . . . . . . . . . . 86.9 m-20 -118.99 138.09 53.06 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.189 179.57 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 74' ' ' VAL . . . . . . . . . . . . . 95.8 t -123.36 132.09 72.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.2 179.514 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 75' ' ' LEU . . . . . . . . . . . . . 56.6 tp -112.01 123.23 49.8 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.239 -178.164 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 79.2 tt0 -107.6 120.23 41.62 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.173 179.635 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 55.9 mt -120.15 109.31 15.29 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.196 -176.624 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 78' ' ' ASN . . . . . . . . . . . . . 79.1 m-20 -111.63 131.15 55.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.192 -178.36 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 79' ' ' ILE . . . . . . . . . . . . . 79.9 mt -117.75 125.37 74.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.192 175.845 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 80' ' ' THR . . . . . . . . . . . . . 98.0 m -101.98 120.95 41.23 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.223 177.251 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 6.8 mp . . . . . 0 C--O 1.199 -1.577 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.17 -178.41 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 98.2 m . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.796 0.331 . . . . 0.0 111.167 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 33.4 m -70.81 -17.31 20.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.161 -179.82 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.71 -28.52 67.39 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.268 176.919 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 42.7 mmt180 -103.11 -27.62 12.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.175 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 50.3 t0 -68.18 108.18 3.05 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.186 -177.789 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 82.8 mtm180 -114.76 157.39 23.29 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.254 177.27 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 72.3 mt -115.9 149.59 38.44 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.206 179.75 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 42.4 tt0 -142.28 114.83 8.48 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.179 175.633 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 5.3 mp -121.82 115.48 46.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.198 -178.277 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 85.0 mt -102.88 120.8 53.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.219 -174.624 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 71.0 mt -102.85 117.84 48.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.23 -178.212 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -111.72 120.44 42.02 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.189 -178.349 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 41.2 tt0 -105.68 117.93 35.29 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.182 170.517 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 64.5 tt0 -75.16 132.77 41.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.182 172.893 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 83.9 mtp180 -123.26 -115.09 0.3 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.239 -175.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -168.58 155.66 7.51 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.229 178.867 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 98.7 mt-30 -74.59 -39.7 62.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.2 179.64 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -124.59 -31.78 3.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.195 -177.441 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -81.95 178.36 53.63 Favored Glycine 0 CA--C 1.523 0.557 0 N-CA-C 111.208 -0.757 . . . . 0.0 111.208 -174.874 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 97.7 mm-40 -121.99 160.77 24.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.755 0.312 . . . . 0.0 111.161 178.518 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 12.6 t -154.86 146.29 16.79 Favored Pre-proline 0 C--N 1.328 -0.357 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.211 178.203 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 87.4 Cg_exo -52.36 131.19 39.19 Favored 'Trans proline' 0 N--CA 1.458 -0.561 0 C-N-CA 121.64 1.56 . . . . 0.0 111.222 176.642 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 76.8 m-20 -77.34 144.3 38.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.224 -179.808 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 68.9 m-85 -129.63 -34.63 1.76 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.207 179.688 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.606 ' HB3' ' HD3' ' A' ' 41' ' ' PRO . 9.9 tt -57.5 -45.05 99.9 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.22 -175.071 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' PRO . . . . . 0.606 ' HD3' ' HB3' ' A' ' 40' ' ' LEU . 98.2 Cg_exo -52.44 -49.2 18.25 Favored 'Trans proline' 0 N--CA 1.458 -0.614 0 C-N-CA 121.731 1.621 . . . . 0.0 111.188 179.245 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 81.7 p -79.17 -27.88 42.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.179 -175.541 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 81.9 mt -71.75 -44.48 63.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.217 175.907 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 57.7 ttp180 -53.51 -51.09 63.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.239 178.351 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -47.89 -52.58 18.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.195 176.614 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . . . -78.6 -38.8 39.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.203 -171.501 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.458 HD22 HD22 ' B' ' 47' ' ' LEU . 90.5 mt -69.13 -37.78 78.5 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.165 -174.055 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 94.5 mtp -62.05 -40.43 95.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.195 177.009 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -61.47 -29.5 70.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.259 177.224 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 73.2 t -79.88 -41.09 21.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.218 175.899 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 88.5 mt -63.97 -35.2 79.9 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.222 -177.877 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 85.2 p -81.12 -18.65 45.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.216 -177.053 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -66.6 -48.33 69.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.202 -175.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 94.6 m-85 -88.86 3.21 52.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.202 -166.861 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 35.6 m -130.33 -3.0 2.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.163 176.615 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 87.0 m-20 57.32 61.1 2.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.146 174.784 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 29.0 m -127.49 168.01 21.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.196 173.853 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 85.3 p -77.97 167.71 21.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.166 172.545 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 99.0 mt -83.16 -13.2 56.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.178 174.828 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 97.7 m-20 -77.41 -35.2 54.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.157 174.809 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 96.6 m-20 -61.12 -33.67 73.75 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.204 175.182 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 91.9 mt -70.92 130.13 34.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.181 177.824 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 79.8 ttt180 -106.22 125.61 51.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.182 -173.732 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 49.2 pt -97.36 148.12 5.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.159 179.087 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 35.4 t -144.96 87.0 1.81 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.225 176.212 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 66.0 tt0 -77.24 131.3 38.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.168 179.754 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -136.48 140.7 43.26 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.183 -178.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -92.87 99.4 12.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.156 179.575 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 97.2 mm-40 -86.86 61.72 6.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.208 179.235 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 90.8 m-20 62.78 -102.7 0.11 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.228 178.729 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -92.52 9.77 75.31 Favored Glycine 0 CA--C 1.523 0.561 0 N-CA-C 111.164 -0.774 . . . . 0.0 111.164 -179.424 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 90.4 mtp -126.44 170.28 12.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.788 0.327 . . . . 0.0 111.208 174.006 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 65.0 t0 -142.49 118.17 10.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.195 176.483 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 23.8 m -115.81 164.23 12.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.179 -175.001 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 10.3 tt -151.56 121.03 6.87 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.192 175.27 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -91.17 135.67 33.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.166 -176.741 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 89.9 mt -112.44 119.3 37.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.162 176.267 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 71.5 m-80 -112.26 125.3 54.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.177 -179.909 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 4.5 mp -119.93 118.94 58.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.216 179.699 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 96.9 m -106.29 132.09 52.75 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.165 177.816 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 66.0 mt . . . . . 0 C--O 1.199 -1.579 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.211 -172.868 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 16' ' ' THR . . . . . . . . . . . . . 98.2 m . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.796 0.331 . . . . 0.0 111.167 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 33.4 m -70.81 -17.31 20.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.161 -179.82 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.71 -28.52 67.39 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.268 176.919 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 42.7 mmt180 -103.11 -27.62 12.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.175 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 50.3 t0 -68.18 108.18 3.05 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.186 -177.789 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 21' ' ' ARG . . . . . . . . . . . . . 82.8 mtm180 -114.76 157.39 23.29 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.254 177.27 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 72.3 mt -115.9 149.59 38.44 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.206 179.75 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 42.4 tt0 -142.28 114.83 8.48 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.179 175.633 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 24' ' ' ILE . . . . . . . . . . . . . 5.3 mp -121.82 115.48 46.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.198 -178.277 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 25' ' ' ILE . . . . . . . . . . . . . 85.0 mt -102.88 120.8 53.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.219 -174.624 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 71.0 mt -102.85 117.84 48.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.23 -178.212 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -111.72 120.44 42.02 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.189 -178.349 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 28' ' ' GLN . . . . . . . . . . . . . 41.2 tt0 -105.68 117.93 35.29 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.182 170.517 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 64.5 tt0 -75.16 132.77 41.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.182 172.893 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 83.9 mtp180 -123.26 -115.09 0.3 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.239 -175.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -168.58 155.66 7.51 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.229 178.867 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 98.7 mt-30 -74.59 -39.7 62.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.2 179.64 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -124.59 -31.78 3.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.195 -177.441 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -81.95 178.36 53.63 Favored Glycine 0 CA--C 1.523 0.557 0 N-CA-C 111.208 -0.757 . . . . 0.0 111.208 -174.874 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 35' ' ' GLN . . . . . . . . . . . . . 97.7 mm-40 -121.99 160.77 24.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.755 0.312 . . . . 0.0 111.161 178.518 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 36' ' ' THR . . . . . . . . . . . . . 12.6 t -154.86 146.29 16.79 Favored Pre-proline 0 C--N 1.328 -0.357 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.211 178.203 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 87.4 Cg_exo -52.36 131.19 39.19 Favored 'Trans proline' 0 N--CA 1.458 -0.561 0 C-N-CA 121.64 1.56 . . . . 0.0 111.222 176.642 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 76.8 m-20 -77.34 144.3 38.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.224 -179.808 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 39' ' ' TYR . . . . . . . . . . . . . 68.9 m-85 -129.63 -34.63 1.76 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.207 179.688 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 40' ' ' LEU . . . . . 0.605 ' HB3' ' HD3' ' B' ' 41' ' ' PRO . 9.9 tt -57.5 -45.05 99.9 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.22 -175.071 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 41' ' ' PRO . . . . . 0.605 ' HD3' ' HB3' ' B' ' 40' ' ' LEU . 98.2 Cg_exo -52.44 -49.2 18.25 Favored 'Trans proline' 0 N--CA 1.458 -0.614 0 C-N-CA 121.731 1.621 . . . . 0.0 111.188 179.245 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 81.7 p -79.17 -27.88 42.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.179 -175.541 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 81.9 mt -71.75 -44.48 63.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.217 175.907 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 44' ' ' ARG . . . . . . . . . . . . . 57.7 ttp180 -53.51 -51.09 63.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.239 178.351 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 45' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -47.89 -52.58 18.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.195 176.614 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . . . -78.6 -38.8 39.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.203 -171.501 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 47' ' ' LEU . . . . . 0.458 HD22 HD22 ' A' ' 47' ' ' LEU . 90.5 mt -69.13 -37.78 78.5 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.165 -174.055 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 48' ' ' MET . . . . . . . . . . . . . 94.5 mtp -62.05 -40.43 95.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.195 177.009 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -61.47 -29.5 70.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.259 177.224 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 50' ' ' VAL . . . . . . . . . . . . . 73.2 t -79.88 -41.09 21.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.218 175.899 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 88.5 mt -63.97 -35.2 79.9 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.222 -177.877 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 85.2 p -81.12 -18.65 45.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.216 -177.053 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -66.6 -48.33 69.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.202 -175.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 94.6 m-85 -88.86 3.21 52.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.202 -166.861 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 55' ' ' VAL . . . . . . . . . . . . . 35.6 m -130.33 -3.0 2.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.163 176.615 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 56' ' ' ASN . . . . . . . . . . . . . 87.0 m-20 57.32 61.1 2.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.146 174.784 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 29.0 m -127.49 168.01 21.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.196 173.853 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 58' ' ' SER . . . . . . . . . . . . . 85.3 p -77.97 167.71 21.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.166 172.545 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 99.0 mt -83.16 -13.2 56.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.178 174.828 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 97.7 m-20 -77.41 -35.2 54.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.157 174.809 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 61' ' ' ASN . . . . . . . . . . . . . 96.6 m-20 -61.12 -33.67 73.75 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.204 175.182 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 62' ' ' ILE . . . . . . . . . . . . . 91.9 mt -70.92 130.13 34.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.181 177.824 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 63' ' ' ARG . . . . . . . . . . . . . 79.8 ttt180 -106.22 125.61 51.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.182 -173.732 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 64' ' ' ILE . . . . . . . . . . . . . 49.2 pt -97.36 148.12 5.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.159 179.087 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 35.4 t -144.96 87.0 1.81 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.225 176.212 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 66.0 tt0 -77.24 131.3 38.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.168 179.754 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -136.48 140.7 43.26 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.183 -178.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 68' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -92.87 99.4 12.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.156 179.575 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 69' ' ' GLN . . . . . . . . . . . . . 97.2 mm-40 -86.86 61.72 6.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.208 179.235 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 90.8 m-20 62.78 -102.7 0.11 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.228 178.729 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 71' ' ' GLY . . . . . . . . . . . . . . . -92.52 9.77 75.31 Favored Glycine 0 CA--C 1.523 0.561 0 N-CA-C 111.164 -0.774 . . . . 0.0 111.164 -179.424 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 72' ' ' MET . . . . . . . . . . . . . 90.4 mtp -126.44 170.28 12.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.788 0.327 . . . . 0.0 111.208 174.006 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 73' ' ' ASP . . . . . . . . . . . . . 65.0 t0 -142.49 118.17 10.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.195 176.483 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 74' ' ' VAL . . . . . . . . . . . . . 23.8 m -115.81 164.23 12.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.179 -175.001 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 75' ' ' LEU . . . . . . . . . . . . . 10.3 tt -151.56 121.03 6.87 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.192 175.27 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -91.17 135.67 33.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.166 -176.741 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 89.9 mt -112.44 119.3 37.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.162 176.267 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 78' ' ' ASN . . . . . . . . . . . . . 71.5 m-80 -112.26 125.3 54.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.177 -179.909 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 79' ' ' ILE . . . . . . . . . . . . . 4.5 mp -119.93 118.94 58.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.216 179.699 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 80' ' ' THR . . . . . . . . . . . . . 96.9 m -106.29 132.09 52.75 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.165 177.816 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 66.0 mt . . . . . 0 C--O 1.199 -1.579 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.211 -172.868 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 69.9 p . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.761 0.315 . . . . 0.0 111.149 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 56.7 t -63.05 -47.15 94.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.173 -174.815 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -66.05 -38.44 88.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.251 -174.609 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 42.9 mmt180 -94.4 -64.38 1.08 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.189 -173.149 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.463 ' HB2' ' HG2' ' B' ' 32' ' ' GLN . 46.8 t0 -79.03 123.94 27.8 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.259 -168.774 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 41.1 ptt180 -141.61 154.35 45.35 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.177 178.812 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 88.6 mt -109.31 137.73 46.74 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.217 177.822 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 66.9 tt0 -124.67 110.46 14.42 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.202 174.93 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.5 ' HB ' ' HB2' ' A' ' 77' ' ' LEU . 76.0 mt -113.0 115.46 49.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.196 -178.731 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 46.0 mm -109.78 117.39 54.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.232 -177.834 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 74.1 mt -108.44 106.46 20.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.209 -178.654 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -114.5 109.63 18.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.21 -172.488 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 66.7 tt0 -86.47 121.14 28.61 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.198 171.371 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.425 ' HG2' ' HG3' ' A' ' 30' ' ' ARG . 88.5 tt0 -110.27 129.03 55.81 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.183 -177.92 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.425 ' HG3' ' HG2' ' A' ' 29' ' ' GLU . 99.8 mtt180 63.13 56.93 1.68 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.253 -179.491 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -62.66 123.71 19.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.164 -172.613 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' GLN . . . . . 0.468 ' HG2' ' HB2' ' B' ' 20' ' ' ASP . 95.5 mm-40 -108.29 163.06 13.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.193 174.741 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -111.94 23.6 13.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.238 -177.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -89.34 -0.54 79.76 Favored Glycine 0 CA--C 1.523 0.555 0 N-CA-C 111.152 -0.779 . . . . 0.0 111.152 -178.097 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 79.3 mm-40 -118.04 -177.47 3.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.866 0.365 . . . . 0.0 111.2 -178.601 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.43 ' HA ' ' HD3' ' A' ' 37' ' ' PRO . 86.0 m -54.26 125.32 50.26 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.22 -176.788 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.43 ' HD3' ' HA ' ' A' ' 36' ' ' THR . 87.6 Cg_exo -55.3 -38.5 93.72 Favored 'Trans proline' 0 N--CA 1.459 -0.531 0 C-N-CA 121.731 1.62 . . . . 0.0 111.183 -176.637 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 42.4 t0 -107.88 98.37 7.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.224 -176.924 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' TYR . . . . . 0.456 ' CD2' ' N ' ' A' ' 39' ' ' TYR . 1.8 p90 -133.04 -31.77 1.26 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.199 -176.265 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.562 ' HB2' ' HD3' ' A' ' 41' ' ' PRO . 86.7 mt -91.12 -43.22 0.39 Allowed Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.227 177.869 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' PRO . . . . . 0.562 ' HD3' ' HB2' ' A' ' 40' ' ' LEU . 90.9 Cg_exo -51.56 -38.64 65.31 Favored 'Trans proline' 0 N--CA 1.458 -0.614 0 C-N-CA 121.705 1.603 . . . . 0.0 111.214 179.255 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 88.0 m -80.15 -40.19 27.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.191 177.305 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 62.5 tp -54.7 -42.46 71.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.253 178.708 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 85.9 mtm180 -66.43 -28.62 68.75 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.173 -177.636 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -82.25 -34.79 28.65 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.187 174.914 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . . . -72.9 -46.2 54.0 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.196 -177.38 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.432 HD13 HD13 ' B' ' 47' ' ' LEU . 45.3 tp -72.92 -50.05 25.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.212 -177.52 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 59.5 ttp -50.02 -45.19 51.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.193 176.785 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 89.2 tt0 -59.51 -52.49 65.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.206 -175.582 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 33.2 m -75.92 -26.6 17.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.23 -171.019 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.443 ' O ' HG22 ' A' ' 55' ' ' VAL . 62.4 mt -60.33 -45.33 93.8 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.178 174.233 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 61.0 p -64.42 -22.39 66.94 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.21 -178.143 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -82.62 -29.92 29.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.193 -179.491 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 18.6 m-30 -86.21 -35.16 20.21 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.161 -174.005 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.443 HG22 ' O ' ' A' ' 51' ' ' LEU . 11.2 m -99.96 0.06 10.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.207 -174.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 77.6 m-20 63.07 59.92 1.26 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.253 173.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 24.3 m -139.37 166.95 20.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.203 173.778 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 85.3 p -76.61 169.33 18.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.218 165.941 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 95.7 mt -71.18 -21.08 62.2 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.242 -179.868 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -67.62 -14.97 63.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.21 176.398 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 21.7 m120 -94.32 15.46 17.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.206 179.028 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 91.9 mt -121.97 125.84 73.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.203 172.723 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 79.6 ttt180 -111.51 119.46 38.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.177 -178.556 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.41 HG12 ' HG ' ' A' ' 77' ' ' LEU . 76.3 mt -118.86 122.49 69.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.265 -176.909 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 40.4 t -123.57 133.01 54.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.169 179.232 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 66.3 tt0 -106.2 120.72 42.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.227 -178.869 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -102.65 121.59 42.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.169 175.187 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 99.7 mttt -100.26 113.69 26.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.19 -176.701 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 56.8 mm-40 -127.1 46.01 2.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.144 176.909 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 97.1 m-20 64.71 -97.28 0.05 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.196 178.676 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -81.22 -21.15 63.22 Favored Glycine 0 CA--C 1.523 0.535 0 N-CA-C 111.209 -0.756 . . . . 0.0 111.209 -177.692 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 54.0 tpp -101.69 131.57 47.87 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.744 0.307 . . . . 0.0 111.184 173.148 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 63.2 t0 -135.23 113.01 10.9 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.205 175.891 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 99.0 t -113.5 124.3 70.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.252 -172.037 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 53.3 mt -100.37 135.39 41.88 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.244 173.518 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 68.6 tt0 -111.78 114.05 26.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.18 174.39 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.5 ' HB2' ' HB ' ' A' ' 24' ' ' ILE . 5.9 mp -114.48 113.44 24.47 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.166 -177.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 78.3 m-20 -109.13 113.81 26.99 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.162 179.032 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 4.7 mp -117.79 123.95 72.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.201 -172.825 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 95.2 m -65.72 127.52 32.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.236 174.415 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 33.9 tp . . . . . 0 C--O 1.2 -1.552 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.175 173.674 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 16' ' ' THR . . . . . . . . . . . . . 69.9 p . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.761 0.315 . . . . 0.0 111.149 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 56.7 t -63.05 -47.15 94.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.173 -174.815 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -66.05 -38.44 88.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.251 -174.609 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 42.9 mmt180 -94.4 -64.38 1.08 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.189 -173.149 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 20' ' ' ASP . . . . . 0.468 ' HB2' ' HG2' ' A' ' 32' ' ' GLN . 46.8 t0 -79.03 123.94 27.8 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.259 -168.774 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 21' ' ' ARG . . . . . . . . . . . . . 41.1 ptt180 -141.61 154.35 45.35 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.177 178.812 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 22' ' ' LEU . . . . . 0.402 ' HB2' ' HB ' ' B' ' 79' ' ' ILE . 88.6 mt -109.31 137.73 46.74 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.217 177.822 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 66.9 tt0 -124.67 110.46 14.42 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.202 174.93 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 24' ' ' ILE . . . . . 0.5 ' HB ' ' HB2' ' B' ' 77' ' ' LEU . 76.0 mt -113.0 115.46 49.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.196 -178.731 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 25' ' ' ILE . . . . . . . . . . . . . 46.0 mm -109.78 117.39 54.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.232 -177.834 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 74.1 mt -108.44 106.46 20.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.209 -178.654 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -114.5 109.63 18.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.21 -172.488 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 28' ' ' GLN . . . . . . . . . . . . . 66.7 tt0 -86.47 121.14 28.61 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.198 171.371 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 29' ' ' GLU . . . . . 0.43 ' HG2' ' HG3' ' B' ' 30' ' ' ARG . 88.5 tt0 -110.27 129.03 55.81 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.183 -177.92 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 30' ' ' ARG . . . . . 0.43 ' HG3' ' HG2' ' B' ' 29' ' ' GLU . 99.8 mtt180 63.13 56.93 1.68 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.253 -179.491 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -62.66 123.71 19.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.164 -172.613 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 32' ' ' GLN . . . . . 0.463 ' HG2' ' HB2' ' A' ' 20' ' ' ASP . 95.5 mm-40 -108.29 163.06 13.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.193 174.741 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -111.94 23.6 13.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.238 -177.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -89.34 -0.54 79.76 Favored Glycine 0 CA--C 1.523 0.555 0 N-CA-C 111.152 -0.779 . . . . 0.0 111.152 -178.097 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 35' ' ' GLN . . . . . . . . . . . . . 79.3 mm-40 -118.04 -177.47 3.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.866 0.365 . . . . 0.0 111.2 -178.601 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 36' ' ' THR . . . . . 0.423 ' HA ' ' HD3' ' B' ' 37' ' ' PRO . 86.0 m -54.26 125.32 50.26 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.22 -176.788 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 37' ' ' PRO . . . . . 0.423 ' HD3' ' HA ' ' B' ' 36' ' ' THR . 87.6 Cg_exo -55.3 -38.5 93.72 Favored 'Trans proline' 0 N--CA 1.459 -0.531 0 C-N-CA 121.731 1.62 . . . . 0.0 111.183 -176.637 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 42.4 t0 -107.88 98.37 7.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.224 -176.924 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 39' ' ' TYR . . . . . 0.451 ' N ' ' CD2' ' B' ' 39' ' ' TYR . 1.8 p90 -133.04 -31.77 1.26 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.199 -176.265 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 40' ' ' LEU . . . . . 0.548 ' HB2' ' HD3' ' B' ' 41' ' ' PRO . 86.7 mt -91.12 -43.22 0.39 Allowed Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.227 177.869 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 41' ' ' PRO . . . . . 0.548 ' HD3' ' HB2' ' B' ' 40' ' ' LEU . 90.9 Cg_exo -51.56 -38.64 65.31 Favored 'Trans proline' 0 N--CA 1.458 -0.614 0 C-N-CA 121.705 1.603 . . . . 0.0 111.214 179.255 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 88.0 m -80.15 -40.19 27.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.191 177.305 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 62.5 tp -54.7 -42.46 71.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.253 178.708 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 44' ' ' ARG . . . . . . . . . . . . . 85.9 mtm180 -66.43 -28.62 68.75 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.173 -177.636 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 45' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -82.25 -34.79 28.65 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.187 174.914 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . . . -72.9 -46.2 54.0 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.196 -177.38 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 47' ' ' LEU . . . . . 0.432 HD13 HD13 ' A' ' 47' ' ' LEU . 45.3 tp -72.92 -50.05 25.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.212 -177.52 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 48' ' ' MET . . . . . . . . . . . . . 59.5 ttp -50.02 -45.19 51.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.193 176.785 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 89.2 tt0 -59.51 -52.49 65.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.206 -175.582 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 50' ' ' VAL . . . . . . . . . . . . . 33.2 m -75.92 -26.6 17.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.23 -171.019 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 51' ' ' LEU . . . . . 0.443 ' O ' HG22 ' B' ' 55' ' ' VAL . 62.4 mt -60.33 -45.33 93.8 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.178 174.233 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 61.0 p -64.42 -22.39 66.94 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.21 -178.143 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -82.62 -29.92 29.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.193 -179.491 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 18.6 m-30 -86.21 -35.16 20.21 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.161 -174.005 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 55' ' ' VAL . . . . . 0.443 HG22 ' O ' ' B' ' 51' ' ' LEU . 11.2 m -99.96 0.06 10.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.207 -174.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 56' ' ' ASN . . . . . . . . . . . . . 77.6 m-20 63.07 59.92 1.26 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.253 173.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 24.3 m -139.37 166.95 20.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.203 173.778 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 58' ' ' SER . . . . . . . . . . . . . 85.3 p -76.61 169.33 18.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.218 165.941 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 95.7 mt -71.18 -21.08 62.2 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.242 -179.868 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -67.62 -14.97 63.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.21 176.398 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 61' ' ' ASN . . . . . . . . . . . . . 21.7 m120 -94.32 15.46 17.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.206 179.028 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 62' ' ' ILE . . . . . . . . . . . . . 91.9 mt -121.97 125.84 73.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.203 172.723 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 63' ' ' ARG . . . . . . . . . . . . . 79.6 ttt180 -111.51 119.46 38.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.177 -178.556 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 64' ' ' ILE . . . . . 0.405 HG12 ' HG ' ' B' ' 77' ' ' LEU . 76.3 mt -118.86 122.49 69.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.265 -176.909 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 40.4 t -123.57 133.01 54.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.169 179.232 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 66.3 tt0 -106.2 120.72 42.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.227 -178.869 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -102.65 121.59 42.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.169 175.187 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 68' ' ' LYS . . . . . . . . . . . . . 99.7 mttt -100.26 113.69 26.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.19 -176.701 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 69' ' ' GLN . . . . . . . . . . . . . 56.8 mm-40 -127.1 46.01 2.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.144 176.909 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 97.1 m-20 64.71 -97.28 0.05 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.196 178.676 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 71' ' ' GLY . . . . . . . . . . . . . . . -81.22 -21.15 63.22 Favored Glycine 0 CA--C 1.523 0.535 0 N-CA-C 111.209 -0.756 . . . . 0.0 111.209 -177.692 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 72' ' ' MET . . . . . . . . . . . . . 54.0 tpp -101.69 131.57 47.87 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.744 0.307 . . . . 0.0 111.184 173.148 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 73' ' ' ASP . . . . . . . . . . . . . 63.2 t0 -135.23 113.01 10.9 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.205 175.891 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 74' ' ' VAL . . . . . . . . . . . . . 99.0 t -113.5 124.3 70.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.252 -172.037 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 75' ' ' LEU . . . . . . . . . . . . . 53.3 mt -100.37 135.39 41.88 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.244 173.518 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 68.6 tt0 -111.78 114.05 26.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.18 174.39 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 77' ' ' LEU . . . . . 0.5 ' HB2' ' HB ' ' B' ' 24' ' ' ILE . 5.9 mp -114.48 113.44 24.47 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.166 -177.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 78' ' ' ASN . . . . . . . . . . . . . 78.3 m-20 -109.13 113.81 26.99 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.162 179.032 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 79' ' ' ILE . . . . . 0.402 ' HB ' ' HB2' ' B' ' 22' ' ' LEU . 4.7 mp -117.79 123.95 72.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.201 -172.825 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 80' ' ' THR . . . . . . . . . . . . . 95.2 m -65.72 127.52 32.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.236 174.415 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 33.9 tp . . . . . 0 C--O 1.2 -1.552 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.175 173.674 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 78.6 m . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.797 0.332 . . . . 0.0 111.169 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.858 ' O ' HG12 ' A' ' 17' ' ' VAL . 74.3 t -141.55 32.24 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.178 177.956 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -75.9 -58.52 3.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.195 177.059 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 66.8 mtp180 -74.32 -20.76 60.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.185 176.806 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.526 ' HA ' ' HB3' ' A' ' 81' ' ' LEU . 95.8 m-20 -73.41 -30.96 63.58 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.268 -0.423 . . . . 0.0 111.201 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 43.7 ttm180 -134.64 97.38 3.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.163 -178.606 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 83.4 mt -109.97 128.79 55.6 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.182 174.863 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 36.1 tt0 -122.68 127.59 49.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.217 -178.748 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 4.8 mp -117.92 122.13 69.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.15 179.33 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.47 ' HB ' ' HB ' ' B' ' 25' ' ' ILE . 85.3 mt -117.81 119.27 61.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.136 -179.637 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.422 ' HB ' ' HB3' ' A' ' 75' ' ' LEU . 38.8 mm -110.67 114.45 47.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.226 175.721 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -99.09 131.81 44.86 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.245 -178.061 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 97.2 mt-30 -131.98 86.19 2.31 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.189 179.498 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -69.9 156.4 39.13 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.203 -176.554 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 39.97 72.41 0.15 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.163 179.789 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -128.15 144.75 51.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.216 -173.422 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 99.3 mm-40 -106.38 170.7 7.77 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.13 178.822 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -100.28 -14.13 18.56 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.233 -172.465 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -140.09 -24.24 0.28 Allowed Glycine 0 CA--C 1.524 0.609 0 N-CA-C 111.203 -0.759 . . . . 0.0 111.203 -177.008 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 73.3 tp60 -81.6 -38.04 26.68 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.804 0.335 . . . . 0.0 111.19 175.497 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 97.4 m -88.72 128.49 52.29 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.193 177.201 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 60.6 Cg_endo -70.56 139.81 38.28 Favored 'Trans proline' 0 N--CA 1.458 -0.609 0 C-N-CA 121.694 1.596 . . . . 0.0 111.184 179.255 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 64.8 t0 -96.86 108.8 21.56 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.224 -173.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 41.7 m-85 -109.06 13.21 24.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.254 -177.867 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.606 ' N ' ' CD ' ' A' ' 41' ' ' PRO . 94.8 mt -70.58 -39.51 9.53 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.208 -178.206 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' PRO . . . . . 0.606 ' CD ' ' N ' ' A' ' 40' ' ' LEU . 87.4 Cg_exo -52.44 -36.35 69.31 Favored 'Trans proline' 0 N--CA 1.458 -0.577 0 C-N-CA 121.769 1.646 . . . . 0.0 111.159 177.609 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 96.9 m -71.32 -43.11 67.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.23 -178.708 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 79.3 mt -61.19 -41.46 96.85 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.197 177.242 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 84.8 mtm180 -65.9 -39.99 91.12 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.222 -179.156 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -66.2 -41.45 90.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.199 175.892 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . . . -61.89 -42.68 99.36 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.204 178.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 84.0 mt -63.4 -33.55 75.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.197 -179.813 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 93.8 mmm -69.51 -27.52 65.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.142 176.334 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 99.8 mt-10 -83.55 -39.38 20.48 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.201 175.503 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 72.3 t -77.93 -82.0 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.14 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.469 ' O ' HG22 ' A' ' 55' ' ' VAL . 87.6 mt -73.34 -44.75 58.24 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.168 -163.254 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 38.0 t -55.64 -40.44 72.2 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.124 -176.939 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -77.05 -22.61 52.67 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.218 178.835 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 4.5 m-30 -76.77 -29.09 55.93 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.149 179.021 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.469 HG22 ' O ' ' A' ' 51' ' ' LEU . 31.7 m -113.82 -8.65 12.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.185 -175.932 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 85.0 m-20 62.59 60.49 1.34 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.24 179.443 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.427 HG23 HG23 ' A' ' 55' ' ' VAL . 64.3 t -126.72 137.01 59.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.225 177.103 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 69.6 p -79.04 162.08 26.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.246 -174.897 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 35.2 tp -59.4 -32.2 69.95 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.252 175.923 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -68.43 -31.62 71.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.191 179.346 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 67.2 m-80 -92.56 18.56 8.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.275 176.614 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 95.2 mt -121.91 130.24 74.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.205 171.913 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 79.7 ttt180 -97.18 122.69 40.47 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.213 -177.174 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 79.2 mt -123.62 121.89 63.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.205 -178.076 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 93.8 p -148.25 162.04 40.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.185 178.093 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 84.9 mt-30 -125.71 152.35 45.42 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.175 178.501 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -135.9 127.0 27.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.223 -177.438 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -105.04 120.86 42.53 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.19 178.095 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 65.2 mm-40 -127.95 116.52 20.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.183 177.159 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 86.8 m-20 62.53 -100.99 0.1 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.186 -175.905 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -128.77 30.92 3.65 Favored Glycine 0 CA--C 1.523 0.568 0 N-CA-C 111.242 -0.743 . . . . 0.0 111.242 173.357 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 67.1 ttp -119.89 129.27 54.29 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.829 0.347 . . . . 0.0 111.166 -178.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 92.9 m-20 -101.04 132.19 46.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.162 176.738 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 86.6 t -120.4 130.29 74.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.179 179.71 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.422 ' HB3' ' HB ' ' A' ' 26' ' ' ILE . 52.3 tp -105.34 126.09 51.72 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.192 172.311 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 74.1 tt0 -121.33 123.9 43.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.21 -178.176 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 4.8 mp -119.88 136.97 54.29 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.211 172.47 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 71.3 m-80 -126.24 110.86 13.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.186 177.234 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 75.9 mt -98.9 115.23 38.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.172 -177.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 98.1 m -107.9 126.25 52.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.247 -174.296 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.526 ' HB3' ' HA ' ' A' ' 20' ' ' ASP . 54.8 tp . . . . . 0 C--O 1.201 -1.488 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.213 178.015 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 16' ' ' THR . . . . . . . . . . . . . 78.6 m . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.797 0.332 . . . . 0.0 111.169 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 17' ' ' VAL . . . . . 0.848 ' O ' HG12 ' B' ' 17' ' ' VAL . 74.3 t -141.55 32.24 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.178 177.956 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -75.9 -58.52 3.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.195 177.059 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 66.8 mtp180 -74.32 -20.76 60.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.185 176.806 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 20' ' ' ASP . . . . . 0.515 ' HA ' ' HB3' ' B' ' 81' ' ' LEU . 95.8 m-20 -73.41 -30.96 63.58 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.268 -0.423 . . . . 0.0 111.201 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 21' ' ' ARG . . . . . . . . . . . . . 43.7 ttm180 -134.64 97.38 3.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.163 -178.606 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 83.4 mt -109.97 128.79 55.6 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.182 174.863 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 36.1 tt0 -122.68 127.59 49.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.217 -178.748 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 24' ' ' ILE . . . . . . . . . . . . . 4.8 mp -117.92 122.13 69.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.15 179.33 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 25' ' ' ILE . . . . . 0.47 ' HB ' ' HB ' ' A' ' 25' ' ' ILE . 85.3 mt -117.81 119.27 61.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.136 -179.637 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 26' ' ' ILE . . . . . 0.431 ' HB ' ' HB3' ' B' ' 75' ' ' LEU . 38.8 mm -110.67 114.45 47.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.226 175.721 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -99.09 131.81 44.86 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.245 -178.061 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 28' ' ' GLN . . . . . . . . . . . . . 97.2 mt-30 -131.98 86.19 2.31 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.189 179.498 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -69.9 156.4 39.13 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.203 -176.554 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 39.97 72.41 0.15 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.163 179.789 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -128.15 144.75 51.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.216 -173.422 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 99.3 mm-40 -106.38 170.7 7.77 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.13 178.822 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -100.28 -14.13 18.56 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.233 -172.465 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -140.09 -24.24 0.28 Allowed Glycine 0 CA--C 1.524 0.609 0 N-CA-C 111.203 -0.759 . . . . 0.0 111.203 -177.008 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 35' ' ' GLN . . . . . . . . . . . . . 73.3 tp60 -81.6 -38.04 26.68 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.804 0.335 . . . . 0.0 111.19 175.497 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 36' ' ' THR . . . . . . . . . . . . . 97.4 m -88.72 128.49 52.29 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.193 177.201 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 60.6 Cg_endo -70.56 139.81 38.28 Favored 'Trans proline' 0 N--CA 1.458 -0.609 0 C-N-CA 121.694 1.596 . . . . 0.0 111.184 179.255 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 64.8 t0 -96.86 108.8 21.56 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.224 -173.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 39' ' ' TYR . . . . . . . . . . . . . 41.7 m-85 -109.06 13.21 24.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.254 -177.867 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 40' ' ' LEU . . . . . 0.611 ' N ' ' CD ' ' B' ' 41' ' ' PRO . 94.8 mt -70.58 -39.51 9.53 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.208 -178.206 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 41' ' ' PRO . . . . . 0.611 ' CD ' ' N ' ' B' ' 40' ' ' LEU . 87.4 Cg_exo -52.44 -36.35 69.31 Favored 'Trans proline' 0 N--CA 1.458 -0.577 0 C-N-CA 121.769 1.646 . . . . 0.0 111.159 177.609 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 96.9 m -71.32 -43.11 67.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.23 -178.708 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 79.3 mt -61.19 -41.46 96.85 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.197 177.242 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 44' ' ' ARG . . . . . . . . . . . . . 84.8 mtm180 -65.9 -39.99 91.12 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.222 -179.156 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 45' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -66.2 -41.45 90.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.199 175.892 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . . . -61.89 -42.68 99.36 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.204 178.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 84.0 mt -63.4 -33.55 75.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.197 -179.813 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 48' ' ' MET . . . . . . . . . . . . . 93.8 mmm -69.51 -27.52 65.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.142 176.334 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 99.8 mt-10 -83.55 -39.38 20.48 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.201 175.503 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 50' ' ' VAL . . . . . . . . . . . . . 72.3 t -77.93 -82.0 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.14 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 51' ' ' LEU . . . . . 0.455 ' O ' HG22 ' B' ' 55' ' ' VAL . 87.6 mt -73.34 -44.75 58.24 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.168 -163.254 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 52' ' ' SER . . . . . 0.428 ' OG ' ' O ' ' B' ' 57' ' ' VAL . 38.0 t -55.64 -40.44 72.2 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.124 -176.939 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -77.05 -22.61 52.67 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.218 178.835 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 54' ' ' TYR . . . . . 0.412 ' HD1' ' HA ' ' B' ' 54' ' ' TYR . 4.5 m-30 -76.77 -29.09 55.93 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.149 179.021 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 55' ' ' VAL . . . . . 0.455 HG22 ' O ' ' B' ' 51' ' ' LEU . 31.7 m -113.82 -8.65 12.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.185 -175.932 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 56' ' ' ASN . . . . . . . . . . . . . 85.0 m-20 62.59 60.49 1.34 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.24 179.443 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 57' ' ' VAL . . . . . 0.428 ' O ' ' OG ' ' B' ' 52' ' ' SER . 64.3 t -126.72 137.01 59.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.225 177.103 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 58' ' ' SER . . . . . . . . . . . . . 69.6 p -79.04 162.08 26.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.246 -174.897 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 35.2 tp -59.4 -32.2 69.95 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.252 175.923 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -68.43 -31.62 71.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.191 179.346 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 61' ' ' ASN . . . . . . . . . . . . . 67.2 m-80 -92.56 18.56 8.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.275 176.614 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 62' ' ' ILE . . . . . . . . . . . . . 95.2 mt -121.91 130.24 74.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.205 171.913 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 63' ' ' ARG . . . . . . . . . . . . . 79.7 ttt180 -97.18 122.69 40.47 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.213 -177.174 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 64' ' ' ILE . . . . . . . . . . . . . 79.2 mt -123.62 121.89 63.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.205 -178.076 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 93.8 p -148.25 162.04 40.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.185 178.093 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 84.9 mt-30 -125.71 152.35 45.42 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.175 178.501 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -135.9 127.0 27.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.223 -177.438 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 68' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -105.04 120.86 42.53 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.19 178.095 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 69' ' ' GLN . . . . . . . . . . . . . 65.2 mm-40 -127.95 116.52 20.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.183 177.159 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 86.8 m-20 62.53 -100.99 0.1 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.186 -175.905 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 71' ' ' GLY . . . . . . . . . . . . . . . -128.77 30.92 3.65 Favored Glycine 0 CA--C 1.523 0.568 0 N-CA-C 111.242 -0.743 . . . . 0.0 111.242 173.357 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 72' ' ' MET . . . . . . . . . . . . . 67.1 ttp -119.89 129.27 54.29 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.829 0.347 . . . . 0.0 111.166 -178.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 73' ' ' ASP . . . . . . . . . . . . . 92.9 m-20 -101.04 132.19 46.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.162 176.738 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 74' ' ' VAL . . . . . . . . . . . . . 86.6 t -120.4 130.29 74.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.179 179.71 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 75' ' ' LEU . . . . . 0.431 ' HB3' ' HB ' ' B' ' 26' ' ' ILE . 52.3 tp -105.34 126.09 51.72 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.192 172.311 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 74.1 tt0 -121.33 123.9 43.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.21 -178.176 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 4.8 mp -119.88 136.97 54.29 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.211 172.47 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 78' ' ' ASN . . . . . . . . . . . . . 71.3 m-80 -126.24 110.86 13.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.186 177.234 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 79' ' ' ILE . . . . . . . . . . . . . 75.9 mt -98.9 115.23 38.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.172 -177.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 80' ' ' THR . . . . . . . . . . . . . 98.1 m -107.9 126.25 52.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.247 -174.296 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 81' ' ' LEU . . . . . 0.515 ' HB3' ' HA ' ' B' ' 20' ' ' ASP . 54.8 tp . . . . . 0 C--O 1.201 -1.488 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.213 178.015 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 70.5 p . . . . . 0 CA--C 1.523 -0.096 0 CA-C-O 120.84 0.352 . . . . 0.0 111.231 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 76.4 t -79.67 -53.19 13.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.137 -178.266 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -66.65 140.74 57.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.209 -175.18 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 57.1 mmm-85 -112.4 -33.91 6.04 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.219 179.286 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 97.7 m-20 -123.3 -90.87 0.56 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.26 -178.872 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 88.7 mtm180 -130.53 144.79 51.64 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.25 -168.433 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 39.0 tp -139.5 132.21 29.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.204 176.865 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 41.7 tt0 -126.16 130.28 50.69 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.216 -179.257 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 88.3 mt -120.04 127.34 75.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.25 179.226 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 83.5 mt -116.95 117.35 55.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.247 -178.669 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 82.5 mt -110.06 107.01 21.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.177 178.606 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -103.66 93.5 4.95 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.225 -173.088 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 50.4 tp60 -91.33 113.65 25.97 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.167 -179.575 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 75.5 tt0 -63.84 127.77 32.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.206 176.294 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 82.8 mtp180 -141.6 34.93 1.63 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.191 -175.679 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -83.02 -16.64 46.32 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.224 178.904 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 14.0 pm0 -70.04 -21.85 63.14 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.177 179.495 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 95.4 mt-10 51.06 43.04 29.19 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.184 176.806 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -102.81 155.3 18.28 Favored Glycine 0 CA--C 1.524 0.609 0 N-CA-C 111.155 -0.778 . . . . 0.0 111.155 -178.86 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 72.5 tp60 -70.5 109.63 4.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.856 0.36 . . . . 0.0 111.18 178.754 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.41 ' HA ' ' HD3' ' A' ' 37' ' ' PRO . 11.7 t -145.68 145.46 25.67 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.225 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.41 ' HD3' ' HA ' ' A' ' 36' ' ' THR . 81.6 Cg_exo -53.59 133.37 53.45 Favored 'Trans proline' 0 N--CA 1.457 -0.645 0 C-N-CA 121.716 1.61 . . . . 0.0 111.173 -179.862 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 66.7 t0 -95.53 94.95 8.07 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.218 177.285 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 24.0 m-85 -114.01 38.47 2.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.137 176.656 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.601 ' N ' ' CD ' ' A' ' 41' ' ' PRO . 88.2 mt -67.65 -40.76 26.69 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.197 170.188 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' PRO . . . . . 0.601 ' CD ' ' N ' ' A' ' 40' ' ' LEU . 78.1 Cg_exo -54.89 -31.91 75.39 Favored 'Trans proline' 0 N--CA 1.458 -0.615 0 C-N-CA 121.703 1.602 . . . . 0.0 111.218 173.757 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 96.9 m -70.28 -40.52 74.27 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.223 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 96.0 mt -62.45 -34.94 77.78 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.223 174.134 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -66.09 -39.97 90.44 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.187 175.549 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -73.46 -34.4 65.37 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.184 178.633 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . . . -60.42 -49.36 77.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.197 175.569 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 84.7 mt -67.3 -36.95 82.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.197 177.336 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 62.4 ttp -52.02 -52.38 51.2 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.262 177.821 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 99.7 mt-10 -70.07 -37.48 75.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.195 -175.197 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 74.2 t -75.29 -49.04 29.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.138 -177.891 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.449 ' HA ' ' HB3' ' A' ' 54' ' ' TYR . 85.9 mt -65.51 -31.67 72.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.207 -174.09 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 39.0 t -55.1 -45.32 75.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.185 179.864 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -84.72 -28.72 26.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.164 179.208 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' TYR . . . . . 0.449 ' HB3' ' HA ' ' A' ' 51' ' ' LEU . 84.5 t80 -67.58 -47.76 68.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.17 179.585 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.469 ' O ' HG12 ' A' ' 55' ' ' VAL . 99.6 t -93.56 -10.92 9.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.195 178.935 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 63.8 t30 63.38 47.76 3.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.189 -178.224 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 35.6 m -139.65 166.19 21.36 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.248 176.873 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 60.5 p -85.36 179.25 7.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.216 176.449 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 52.1 tp -62.72 -22.68 66.71 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.223 178.042 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 98.2 m-20 -65.1 -20.55 66.52 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.207 -175.727 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 68.3 m-80 -98.1 15.45 24.19 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.22 179.557 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 87.7 mt -119.16 124.66 73.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.193 177.608 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 75.5 ttt180 -119.64 121.73 39.95 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.19 177.209 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 84.5 mt -120.94 132.27 70.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.22 -173.74 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 48.4 t -152.06 143.28 23.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.225 175.825 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 24.7 pt20 -125.53 154.35 42.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.184 -171.927 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 87.6 tt0 -151.03 133.55 15.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.126 175.037 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -98.99 115.44 28.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.187 -178.185 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 68.6 mm-40 -133.76 144.51 49.1 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.168 177.228 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 78.6 m-20 60.53 26.42 16.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.21 179.796 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 75.09 32.01 56.9 Favored Glycine 0 CA--C 1.522 0.506 0 N-CA-C 111.187 -0.765 . . . . 0.0 111.187 178.516 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 59.7 ttm -142.62 117.88 10.17 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.787 0.327 . . . . 0.0 111.184 -178.567 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 66.2 t0 -85.93 111.89 20.67 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.24 -176.863 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 97.5 t -106.85 124.31 62.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.202 -172.892 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.4 HD12 ' N ' ' A' ' 75' ' ' LEU . 8.3 mp -102.47 127.9 49.31 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.185 179.821 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 65.1 tt0 -113.4 120.4 40.93 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.182 -179.376 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.489 ' C ' HD23 ' A' ' 77' ' ' LEU . 9.7 tt -114.94 121.02 41.88 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.189 178.181 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 73.3 m-80 -113.24 120.92 42.86 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.196 178.275 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 19.1 tt -129.7 136.9 58.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.166 -178.041 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 85.1 m -131.35 139.07 49.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.215 -174.306 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 50.7 tp . . . . . 0 C--O 1.2 -1.526 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.278 178.65 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 16' ' ' THR . . . . . . . . . . . . . 70.5 p . . . . . 0 CA--C 1.523 -0.096 0 CA-C-O 120.84 0.352 . . . . 0.0 111.231 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 76.4 t -79.67 -53.19 13.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.137 -178.266 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -66.65 140.74 57.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.209 -175.18 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 57.1 mmm-85 -112.4 -33.91 6.04 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.219 179.286 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 97.7 m-20 -123.3 -90.87 0.56 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.26 -178.872 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 21' ' ' ARG . . . . . . . . . . . . . 88.7 mtm180 -130.53 144.79 51.64 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.25 -168.433 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 39.0 tp -139.5 132.21 29.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.204 176.865 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 41.7 tt0 -126.16 130.28 50.69 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.216 -179.257 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 24' ' ' ILE . . . . . . . . . . . . . 88.3 mt -120.04 127.34 75.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.25 179.226 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 25' ' ' ILE . . . . . . . . . . . . . 83.5 mt -116.95 117.35 55.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.247 -178.669 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 82.5 mt -110.06 107.01 21.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.177 178.606 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -103.66 93.5 4.95 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.225 -173.088 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 28' ' ' GLN . . . . . . . . . . . . . 50.4 tp60 -91.33 113.65 25.97 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.167 -179.575 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 75.5 tt0 -63.84 127.77 32.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.206 176.294 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 82.8 mtp180 -141.6 34.93 1.63 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.191 -175.679 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -83.02 -16.64 46.32 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.224 178.904 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 14.0 pm0 -70.04 -21.85 63.14 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.177 179.495 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 95.4 mt-10 51.06 43.04 29.19 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.184 176.806 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -102.81 155.3 18.28 Favored Glycine 0 CA--C 1.524 0.609 0 N-CA-C 111.155 -0.778 . . . . 0.0 111.155 -178.86 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 35' ' ' GLN . . . . . . . . . . . . . 72.5 tp60 -70.5 109.63 4.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.856 0.36 . . . . 0.0 111.18 178.754 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 36' ' ' THR . . . . . . . . . . . . . 11.7 t -145.68 145.46 25.67 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.225 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 81.6 Cg_exo -53.59 133.37 53.45 Favored 'Trans proline' 0 N--CA 1.457 -0.645 0 C-N-CA 121.716 1.61 . . . . 0.0 111.173 -179.862 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 66.7 t0 -95.53 94.95 8.07 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.218 177.285 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 39' ' ' TYR . . . . . . . . . . . . . 24.0 m-85 -114.01 38.47 2.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.137 176.656 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 40' ' ' LEU . . . . . 0.59 ' N ' ' CD ' ' B' ' 41' ' ' PRO . 88.2 mt -67.65 -40.76 26.69 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.197 170.188 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 41' ' ' PRO . . . . . 0.59 ' CD ' ' N ' ' B' ' 40' ' ' LEU . 78.1 Cg_exo -54.89 -31.91 75.39 Favored 'Trans proline' 0 N--CA 1.458 -0.615 0 C-N-CA 121.703 1.602 . . . . 0.0 111.218 173.757 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 96.9 m -70.28 -40.52 74.27 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.223 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 96.0 mt -62.45 -34.94 77.78 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.223 174.134 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 44' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -66.09 -39.97 90.44 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.187 175.549 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 45' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -73.46 -34.4 65.37 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.184 178.633 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . . . -60.42 -49.36 77.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.197 175.569 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 84.7 mt -67.3 -36.95 82.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.197 177.336 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 48' ' ' MET . . . . . . . . . . . . . 62.4 ttp -52.02 -52.38 51.2 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.262 177.821 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 99.7 mt-10 -70.07 -37.48 75.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.195 -175.197 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 50' ' ' VAL . . . . . . . . . . . . . 74.2 t -75.29 -49.04 29.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.138 -177.891 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 51' ' ' LEU . . . . . 0.451 ' HA ' ' HB3' ' B' ' 54' ' ' TYR . 85.9 mt -65.51 -31.67 72.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.207 -174.09 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 39.0 t -55.1 -45.32 75.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.185 179.864 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -84.72 -28.72 26.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.164 179.208 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 54' ' ' TYR . . . . . 0.451 ' HB3' ' HA ' ' B' ' 51' ' ' LEU . 84.5 t80 -67.58 -47.76 68.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.17 179.585 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 55' ' ' VAL . . . . . 0.463 ' O ' HG12 ' B' ' 55' ' ' VAL . 99.6 t -93.56 -10.92 9.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.195 178.935 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 56' ' ' ASN . . . . . . . . . . . . . 63.8 t30 63.38 47.76 3.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.189 -178.224 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 35.6 m -139.65 166.19 21.36 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.248 176.873 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 58' ' ' SER . . . . . . . . . . . . . 60.5 p -85.36 179.25 7.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.216 176.449 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 52.1 tp -62.72 -22.68 66.71 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.223 178.042 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 98.2 m-20 -65.1 -20.55 66.52 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.207 -175.727 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 61' ' ' ASN . . . . . . . . . . . . . 68.3 m-80 -98.1 15.45 24.19 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.22 179.557 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 62' ' ' ILE . . . . . . . . . . . . . 87.7 mt -119.16 124.66 73.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.193 177.608 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 63' ' ' ARG . . . . . . . . . . . . . 75.5 ttt180 -119.64 121.73 39.95 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.19 177.209 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 64' ' ' ILE . . . . . . . . . . . . . 84.5 mt -120.94 132.27 70.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.22 -173.74 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 48.4 t -152.06 143.28 23.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.225 175.825 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 24.7 pt20 -125.53 154.35 42.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.184 -171.927 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 87.6 tt0 -151.03 133.55 15.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.126 175.037 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 68' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -98.99 115.44 28.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.187 -178.185 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 69' ' ' GLN . . . . . . . . . . . . . 68.6 mm-40 -133.76 144.51 49.1 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.168 177.228 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 78.6 m-20 60.53 26.42 16.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.21 179.796 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 71' ' ' GLY . . . . . . . . . . . . . . . 75.09 32.01 56.9 Favored Glycine 0 CA--C 1.522 0.506 0 N-CA-C 111.187 -0.765 . . . . 0.0 111.187 178.516 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 72' ' ' MET . . . . . . . . . . . . . 59.7 ttm -142.62 117.88 10.17 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.787 0.327 . . . . 0.0 111.184 -178.567 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 73' ' ' ASP . . . . . . . . . . . . . 66.2 t0 -85.93 111.89 20.67 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.24 -176.863 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 74' ' ' VAL . . . . . . . . . . . . . 97.5 t -106.85 124.31 62.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.202 -172.892 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 75' ' ' LEU . . . . . 0.408 ' N ' HD12 ' B' ' 75' ' ' LEU . 8.3 mp -102.47 127.9 49.31 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.185 179.821 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 65.1 tt0 -113.4 120.4 40.93 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.182 -179.376 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 77' ' ' LEU . . . . . 0.474 ' C ' HD23 ' B' ' 77' ' ' LEU . 9.7 tt -114.94 121.02 41.88 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.189 178.181 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 78' ' ' ASN . . . . . . . . . . . . . 73.3 m-80 -113.24 120.92 42.86 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.196 178.275 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 79' ' ' ILE . . . . . . . . . . . . . 19.1 tt -129.7 136.9 58.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.166 -178.041 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 80' ' ' THR . . . . . . . . . . . . . 85.1 m -131.35 139.07 49.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.215 -174.306 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 50.7 tp . . . . . 0 C--O 1.2 -1.526 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.278 178.65 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 75.7 p . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.812 0.339 . . . . 0.0 111.232 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 97.7 t -116.12 -49.82 4.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.201 178.764 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -89.9 -167.7 1.93 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.196 -179.421 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -102.61 10.0 39.0 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.176 179.266 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 97.7 m-20 -67.08 151.88 46.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.191 176.464 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 83.1 mtt85 -139.0 146.33 40.76 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.226 -173.556 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 9.3 tt -139.68 138.62 36.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.182 174.964 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 47.3 tt0 -134.88 136.88 42.73 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.207 -176.635 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.443 ' HB ' ' HB3' ' A' ' 77' ' ' LEU . 79.8 mt -122.19 123.58 69.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.183 177.086 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 82.1 mt -122.11 115.98 47.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.174 178.652 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 70.8 mt -128.39 130.51 69.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.23 -177.77 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -137.6 151.54 48.44 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.172 -179.257 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 33.0 tt0 -140.51 130.06 24.12 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.167 176.675 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.408 ' HA ' ' HB3' ' A' ' 72' ' ' MET . 86.2 tt0 -64.73 120.57 12.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.203 174.347 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 73.7 mtp180 -142.77 37.57 1.46 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.159 -171.439 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -49.02 163.8 0.08 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.17 173.85 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 73.4 tp60 -54.28 -31.73 54.49 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.211 -174.776 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 99.3 mt-10 -64.12 -39.45 94.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.188 177.896 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -65.57 145.6 48.72 Favored Glycine 0 CA--C 1.523 0.566 0 N-CA-C 111.2 -0.76 . . . . 0.0 111.2 178.635 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 97.1 mm-40 -124.22 30.74 5.98 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.819 0.342 . . . . 0.0 111.23 -174.674 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 82.4 p -81.13 149.29 65.9 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.218 -176.615 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 73.8 Cg_endo -80.34 169.18 17.58 Favored 'Trans proline' 0 N--CA 1.459 -0.55 0 C-N-CA 121.697 1.598 . . . . 0.0 111.127 178.736 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 99.5 m-20 -63.03 137.55 58.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.211 177.518 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 13.8 p90 -127.14 -24.86 3.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.169 -171.462 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.572 ' N ' ' CD ' ' A' ' 41' ' ' PRO . 85.3 mt -75.32 -41.36 3.81 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.202 -173.819 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' PRO . . . . . 0.572 ' CD ' ' N ' ' A' ' 40' ' ' LEU . 99.1 Cg_exo -51.57 -40.09 64.37 Favored 'Trans proline' 0 N--CA 1.458 -0.6 0 C-N-CA 121.742 1.628 . . . . 0.0 111.199 178.105 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 98.7 m -73.77 -48.03 34.59 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.237 179.111 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 88.6 mt -64.49 -38.2 90.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.144 -178.117 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 59.8 ttp180 -52.98 -60.61 3.06 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.184 175.467 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -61.65 -37.69 84.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.206 -179.757 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . . . -67.03 -51.24 57.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.203 -178.363 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 89.4 mt -67.95 -38.07 82.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.169 -176.051 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 95.5 mtp -68.27 -34.23 75.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.212 177.957 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -64.88 -43.86 91.54 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.161 174.25 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 53.7 t -65.0 -45.59 94.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.19 178.638 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 88.5 mt -68.41 -32.85 73.19 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.204 179.865 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 46.6 t -57.97 -42.22 84.58 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.205 175.89 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -86.26 -26.13 25.16 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.18 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 17.2 t80 -64.25 -49.29 72.48 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.168 -176.561 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 19.3 m -122.43 15.44 5.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.19 -178.911 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 86.9 m-20 59.64 62.29 1.77 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.212 170.054 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 35.4 m -132.54 162.74 39.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.223 179.644 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 54.1 p -82.04 178.86 8.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.152 177.776 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 92.4 mt -79.1 -11.35 59.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.165 177.382 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 91.2 m-20 -86.99 -3.69 59.11 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.17 175.711 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 32.8 m120 -96.4 8.97 42.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.222 177.227 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 87.1 mt -128.62 134.3 64.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.237 -179.75 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 79.4 ttt180 -103.63 120.31 40.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.257 -177.208 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 49.8 mm -109.35 124.59 66.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.217 -179.631 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 45.8 t -121.53 93.82 4.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.148 175.323 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 61.7 tt0 -98.41 129.93 45.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.194 -179.378 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 25.4 pt-20 -154.66 164.95 37.99 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.21 179.641 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -105.11 109.92 22.1 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.194 177.221 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 72.7 tp60 -88.0 103.07 15.36 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.177 176.939 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 74.2 m-20 55.39 -112.58 0.72 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.203 -179.32 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -104.6 30.92 9.23 Favored Glycine 0 CA--C 1.523 0.552 0 N-CA-C 111.212 -0.755 . . . . 0.0 111.212 -175.907 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' MET . . . . . 0.408 ' HB3' ' HA ' ' A' ' 29' ' ' GLU . 25.6 ptp -152.85 162.05 41.78 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.829 0.347 . . . . 0.0 111.209 177.428 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 79.2 m-20 -107.24 147.27 30.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.207 178.764 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 9.5 p -146.22 141.09 21.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.254 -178.234 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 10.2 tt -131.28 130.78 43.24 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.233 178.885 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 58.9 tt0 -108.71 124.6 50.8 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.254 178.409 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.526 ' C ' HD23 ' A' ' 77' ' ' LEU . 8.8 tt -115.23 118.63 33.83 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.186 -179.273 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 76.3 m-20 -114.91 128.79 56.49 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.255 179.63 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 18.5 tt -135.08 141.55 42.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.207 177.796 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 97.4 m -99.62 129.59 45.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.202 178.619 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 7.2 mp . . . . . 0 C--O 1.199 -1.565 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.172 -177.58 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 16' ' ' THR . . . . . . . . . . . . . 75.7 p . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.812 0.339 . . . . 0.0 111.232 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 97.7 t -116.12 -49.82 4.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.201 178.764 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -89.9 -167.7 1.93 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.196 -179.421 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -102.61 10.0 39.0 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.176 179.266 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 97.7 m-20 -67.08 151.88 46.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.191 176.464 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 21' ' ' ARG . . . . . . . . . . . . . 83.1 mtt85 -139.0 146.33 40.76 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.226 -173.556 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 9.3 tt -139.68 138.62 36.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.182 174.964 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 47.3 tt0 -134.88 136.88 42.73 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.207 -176.635 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 24' ' ' ILE . . . . . 0.432 ' HB ' ' HB3' ' B' ' 77' ' ' LEU . 79.8 mt -122.19 123.58 69.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.183 177.086 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 25' ' ' ILE . . . . . . . . . . . . . 82.1 mt -122.11 115.98 47.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.174 178.652 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 70.8 mt -128.39 130.51 69.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.23 -177.77 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -137.6 151.54 48.44 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.172 -179.257 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 28' ' ' GLN . . . . . . . . . . . . . 33.0 tt0 -140.51 130.06 24.12 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.167 176.675 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 29' ' ' GLU . . . . . 0.405 ' HA ' ' HB3' ' B' ' 72' ' ' MET . 86.2 tt0 -64.73 120.57 12.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.203 174.347 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 73.7 mtp180 -142.77 37.57 1.46 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.159 -171.439 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -49.02 163.8 0.08 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.17 173.85 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 73.4 tp60 -54.28 -31.73 54.49 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.211 -174.776 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 99.3 mt-10 -64.12 -39.45 94.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.188 177.896 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -65.57 145.6 48.72 Favored Glycine 0 CA--C 1.523 0.566 0 N-CA-C 111.2 -0.76 . . . . 0.0 111.2 178.635 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 35' ' ' GLN . . . . . . . . . . . . . 97.1 mm-40 -124.22 30.74 5.98 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.819 0.342 . . . . 0.0 111.23 -174.674 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 36' ' ' THR . . . . . . . . . . . . . 82.4 p -81.13 149.29 65.9 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.218 -176.615 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 73.8 Cg_endo -80.34 169.18 17.58 Favored 'Trans proline' 0 N--CA 1.459 -0.55 0 C-N-CA 121.697 1.598 . . . . 0.0 111.127 178.736 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 99.5 m-20 -63.03 137.55 58.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.211 177.518 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 39' ' ' TYR . . . . . . . . . . . . . 13.8 p90 -127.14 -24.86 3.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.169 -171.462 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 40' ' ' LEU . . . . . 0.578 ' N ' ' CD ' ' B' ' 41' ' ' PRO . 85.3 mt -75.32 -41.36 3.81 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.202 -173.819 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 41' ' ' PRO . . . . . 0.578 ' CD ' ' N ' ' B' ' 40' ' ' LEU . 99.1 Cg_exo -51.57 -40.09 64.37 Favored 'Trans proline' 0 N--CA 1.458 -0.6 0 C-N-CA 121.742 1.628 . . . . 0.0 111.199 178.105 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 98.7 m -73.77 -48.03 34.59 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.237 179.111 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 88.6 mt -64.49 -38.2 90.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.144 -178.117 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 44' ' ' ARG . . . . . . . . . . . . . 59.8 ttp180 -52.98 -60.61 3.06 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.184 175.467 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 45' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -61.65 -37.69 84.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.206 -179.757 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . . . -67.03 -51.24 57.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.203 -178.363 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 89.4 mt -67.95 -38.07 82.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.169 -176.051 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 48' ' ' MET . . . . . . . . . . . . . 95.5 mtp -68.27 -34.23 75.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.212 177.957 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -64.88 -43.86 91.54 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.161 174.25 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 50' ' ' VAL . . . . . . . . . . . . . 53.7 t -65.0 -45.59 94.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.19 178.638 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 88.5 mt -68.41 -32.85 73.19 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.204 179.865 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 46.6 t -57.97 -42.22 84.58 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.205 175.89 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -86.26 -26.13 25.16 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.18 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 17.2 t80 -64.25 -49.29 72.48 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.168 -176.561 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 55' ' ' VAL . . . . . . . . . . . . . 19.3 m -122.43 15.44 5.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.19 -178.911 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 56' ' ' ASN . . . . . . . . . . . . . 86.9 m-20 59.64 62.29 1.77 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.212 170.054 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 35.4 m -132.54 162.74 39.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.223 179.644 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 58' ' ' SER . . . . . . . . . . . . . 54.1 p -82.04 178.86 8.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.152 177.776 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 92.4 mt -79.1 -11.35 59.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.165 177.382 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 91.2 m-20 -86.99 -3.69 59.11 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.17 175.711 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 61' ' ' ASN . . . . . . . . . . . . . 32.8 m120 -96.4 8.97 42.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.222 177.227 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 62' ' ' ILE . . . . . . . . . . . . . 87.1 mt -128.62 134.3 64.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.237 -179.75 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 63' ' ' ARG . . . . . . . . . . . . . 79.4 ttt180 -103.63 120.31 40.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.257 -177.208 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 64' ' ' ILE . . . . . . . . . . . . . 49.8 mm -109.35 124.59 66.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.217 -179.631 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 45.8 t -121.53 93.82 4.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.148 175.323 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 61.7 tt0 -98.41 129.93 45.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.194 -179.378 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 25.4 pt-20 -154.66 164.95 37.99 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.21 179.641 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 68' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -105.11 109.92 22.1 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.194 177.221 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 69' ' ' GLN . . . . . . . . . . . . . 72.7 tp60 -88.0 103.07 15.36 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.177 176.939 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 74.2 m-20 55.39 -112.58 0.72 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.203 -179.32 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 71' ' ' GLY . . . . . . . . . . . . . . . -104.6 30.92 9.23 Favored Glycine 0 CA--C 1.523 0.552 0 N-CA-C 111.212 -0.755 . . . . 0.0 111.212 -175.907 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 72' ' ' MET . . . . . 0.405 ' HB3' ' HA ' ' B' ' 29' ' ' GLU . 25.6 ptp -152.85 162.05 41.78 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.829 0.347 . . . . 0.0 111.209 177.428 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 73' ' ' ASP . . . . . . . . . . . . . 79.2 m-20 -107.24 147.27 30.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.207 178.764 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 74' ' ' VAL . . . . . . . . . . . . . 9.5 p -146.22 141.09 21.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.254 -178.234 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 75' ' ' LEU . . . . . . . . . . . . . 10.2 tt -131.28 130.78 43.24 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.233 178.885 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 58.9 tt0 -108.71 124.6 50.8 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.254 178.409 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 77' ' ' LEU . . . . . 0.514 ' C ' HD23 ' B' ' 77' ' ' LEU . 8.8 tt -115.23 118.63 33.83 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.186 -179.273 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 78' ' ' ASN . . . . . . . . . . . . . 76.3 m-20 -114.91 128.79 56.49 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.255 179.63 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 79' ' ' ILE . . . . . . . . . . . . . 18.5 tt -135.08 141.55 42.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.207 177.796 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 80' ' ' THR . . . . . . . . . . . . . 97.4 m -99.62 129.59 45.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.202 178.619 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 7.2 mp . . . . . 0 C--O 1.199 -1.565 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.172 -177.58 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 71.4 p . . . . . 0 C--O 1.23 0.078 0 CA-C-O 120.803 0.335 . . . . 0.0 111.213 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 70.5 t -65.9 -39.74 85.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.225 -177.385 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -67.1 -29.54 69.32 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.232 -175.293 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 42.6 mmt180 -94.29 -47.27 6.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.22 -173.386 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 95.5 m-20 -68.35 147.88 51.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.183 177.799 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 18.0 ptp180 -157.17 165.11 36.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.169 -174.296 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 81.5 mt -98.82 144.21 28.3 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.249 172.388 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 32.6 tt0 -128.77 117.88 21.86 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.243 179.818 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.409 HG22 HG13 ' A' ' 26' ' ' ILE . 4.8 mp -118.07 123.71 72.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.184 178.782 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 80.5 mt -112.54 109.93 30.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.202 177.56 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.409 HG13 HG22 ' A' ' 24' ' ' ILE . 85.6 mt -109.93 114.42 46.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.2 -176.809 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -107.65 125.84 51.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.156 -178.784 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 40.9 tt0 -109.35 110.02 21.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.241 170.893 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 65.2 mt-10 -69.65 159.22 33.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.206 -174.919 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 79.4 ttt180 -50.53 123.77 9.42 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.182 -175.191 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -67.79 141.17 56.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.216 172.279 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 90.9 mm-40 -96.74 -1.81 45.66 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.217 -177.213 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 26.7 pt-20 -156.11 165.18 37.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.201 -173.432 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -94.11 8.38 72.85 Favored Glycine 0 CA--C 1.523 0.59 0 N-CA-C 111.165 -0.774 . . . . 0.0 111.165 174.808 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 99.9 mm-40 -98.23 5.63 48.22 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.803 0.335 . . . . 0.0 111.219 179.215 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 97.8 m -120.9 99.66 46.78 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.189 175.144 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 74.7 Cg_exo -59.93 147.55 92.26 Favored 'Trans proline' 0 N--CA 1.458 -0.561 0 C-N-CA 121.719 1.612 . . . . 0.0 111.141 -177.239 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 86.8 m-20 -55.03 136.38 47.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.207 168.727 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 29.1 m-85 -117.14 -30.13 5.73 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.235 -174.167 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.582 ' HB3' ' HD3' ' A' ' 41' ' ' PRO . 10.1 tt -53.08 -44.91 98.24 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.222 -177.904 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' PRO . . . . . 0.582 ' HD3' ' HB3' ' A' ' 40' ' ' LEU . 78.9 Cg_exo -50.4 -42.39 48.43 Favored 'Trans proline' 0 N--CA 1.458 -0.579 0 C-N-CA 121.671 1.58 . . . . 0.0 111.217 178.506 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 77.4 p -83.57 -26.76 29.78 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.212 -176.234 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 95.2 mt -73.21 -30.8 63.76 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.187 177.089 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 69.8 ttp85 -62.44 -60.71 3.15 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.179 173.938 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -58.19 -39.26 78.48 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.205 -178.081 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . . . -67.36 -43.18 82.12 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.195 -179.8 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 51.0 tp -66.52 -41.76 88.32 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.195 178.262 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 94.6 mtp -59.93 -33.52 71.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.218 177.798 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -61.68 -46.98 87.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.217 176.709 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 29.4 m -87.44 -17.7 8.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.202 -174.678 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.464 ' O ' ' HB ' ' A' ' 55' ' ' VAL . 34.0 mt -64.49 -51.53 62.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.199 167.882 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 33.1 t -60.93 -34.9 75.42 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.163 175.605 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 83.7 tttt -71.02 -54.7 10.28 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.207 -173.898 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 47.1 m-85 -90.76 -33.42 15.74 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.184 -166.322 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.501 ' O ' HG12 ' A' ' 55' ' ' VAL . 94.5 t -81.91 -9.38 11.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.179 -172.347 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 76.9 m-20 62.28 61.68 1.26 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.233 -175.66 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 10.6 p -151.42 149.47 14.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.209 -171.461 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 59.5 p -87.01 170.75 11.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.223 179.674 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 97.0 mt -76.93 -23.13 52.45 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.156 -179.665 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 98.0 m-20 -68.89 -17.51 63.99 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.212 177.377 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 48.3 m-80 -96.72 13.11 29.54 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.195 179.703 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 77.0 mt -108.93 118.29 56.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.184 175.633 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 79.8 ttt180 -96.52 127.57 42.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.146 178.86 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 81.1 mt -114.79 116.53 52.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.214 -175.888 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 43.5 t -142.58 126.82 17.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.158 175.604 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 42.9 mt-30 -103.85 156.64 17.67 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.224 -179.225 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 71.2 tt0 -136.53 128.24 28.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.162 178.785 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -84.51 127.57 34.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.22 -179.275 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 79.2 mm-40 -127.79 76.18 1.66 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.176 172.794 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 93.2 m-20 63.41 -100.67 0.09 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.234 -178.488 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -108.69 9.58 34.88 Favored Glycine 0 CA--C 1.523 0.587 0 N-CA-C 111.19 -0.764 . . . . 0.0 111.19 -178.431 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 65.8 ttp -111.32 120.96 43.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.844 0.354 . . . . 0.0 111.194 178.451 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 62.2 t0 -94.72 113.79 25.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.166 178.888 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 95.9 t -105.58 126.85 60.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.187 -174.73 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 48.5 tp -108.82 126.75 53.37 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.241 176.453 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 67.4 tt0 -110.25 118.3 35.97 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.162 175.419 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 85.7 mt -113.39 126.88 55.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.219 177.425 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 72.6 m-80 -120.41 113.31 20.15 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.207 177.945 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 5.2 mp -118.82 128.07 75.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.204 -170.9 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 91.4 m -53.6 118.4 3.87 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.219 178.023 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 54.4 tp . . . . . 0 C--O 1.199 -1.555 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.201 -176.91 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 16' ' ' THR . . . . . . . . . . . . . 71.4 p . . . . . 0 C--O 1.23 0.078 0 CA-C-O 120.803 0.335 . . . . 0.0 111.213 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 70.5 t -65.9 -39.74 85.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.225 -177.385 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -67.1 -29.54 69.32 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.232 -175.293 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 42.6 mmt180 -94.29 -47.27 6.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.22 -173.386 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 95.5 m-20 -68.35 147.88 51.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.183 177.799 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 21' ' ' ARG . . . . . . . . . . . . . 18.0 ptp180 -157.17 165.11 36.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.169 -174.296 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 81.5 mt -98.82 144.21 28.3 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.249 172.388 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 32.6 tt0 -128.77 117.88 21.86 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.243 179.818 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 24' ' ' ILE . . . . . 0.4 HG22 HG13 ' B' ' 26' ' ' ILE . 4.8 mp -118.07 123.71 72.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.184 178.782 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 25' ' ' ILE . . . . . . . . . . . . . 80.5 mt -112.54 109.93 30.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.202 177.56 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 26' ' ' ILE . . . . . 0.4 HG13 HG22 ' B' ' 24' ' ' ILE . 85.6 mt -109.93 114.42 46.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.2 -176.809 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -107.65 125.84 51.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.156 -178.784 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 28' ' ' GLN . . . . . . . . . . . . . 40.9 tt0 -109.35 110.02 21.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.241 170.893 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 65.2 mt-10 -69.65 159.22 33.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.206 -174.919 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 79.4 ttt180 -50.53 123.77 9.42 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.182 -175.191 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -67.79 141.17 56.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.216 172.279 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 90.9 mm-40 -96.74 -1.81 45.66 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.217 -177.213 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 26.7 pt-20 -156.11 165.18 37.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.201 -173.432 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -94.11 8.38 72.85 Favored Glycine 0 CA--C 1.523 0.59 0 N-CA-C 111.165 -0.774 . . . . 0.0 111.165 174.808 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 35' ' ' GLN . . . . . . . . . . . . . 99.9 mm-40 -98.23 5.63 48.22 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.803 0.335 . . . . 0.0 111.219 179.215 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 36' ' ' THR . . . . . . . . . . . . . 97.8 m -120.9 99.66 46.78 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.189 175.144 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 74.7 Cg_exo -59.93 147.55 92.26 Favored 'Trans proline' 0 N--CA 1.458 -0.561 0 C-N-CA 121.719 1.612 . . . . 0.0 111.141 -177.239 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 86.8 m-20 -55.03 136.38 47.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.207 168.727 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 39' ' ' TYR . . . . . . . . . . . . . 29.1 m-85 -117.14 -30.13 5.73 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.235 -174.167 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 40' ' ' LEU . . . . . 0.573 ' HB3' ' HD3' ' B' ' 41' ' ' PRO . 10.1 tt -53.08 -44.91 98.24 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.222 -177.904 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 41' ' ' PRO . . . . . 0.573 ' HD3' ' HB3' ' B' ' 40' ' ' LEU . 78.9 Cg_exo -50.4 -42.39 48.43 Favored 'Trans proline' 0 N--CA 1.458 -0.579 0 C-N-CA 121.671 1.58 . . . . 0.0 111.217 178.506 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 77.4 p -83.57 -26.76 29.78 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.212 -176.234 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 95.2 mt -73.21 -30.8 63.76 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.187 177.089 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 44' ' ' ARG . . . . . . . . . . . . . 69.8 ttp85 -62.44 -60.71 3.15 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.179 173.938 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 45' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -58.19 -39.26 78.48 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.205 -178.081 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . . . -67.36 -43.18 82.12 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.195 -179.8 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 51.0 tp -66.52 -41.76 88.32 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.195 178.262 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 48' ' ' MET . . . . . . . . . . . . . 94.6 mtp -59.93 -33.52 71.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.218 177.798 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -61.68 -46.98 87.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.217 176.709 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 50' ' ' VAL . . . . . . . . . . . . . 29.4 m -87.44 -17.7 8.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.202 -174.678 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 51' ' ' LEU . . . . . 0.466 ' O ' ' HB ' ' B' ' 55' ' ' VAL . 34.0 mt -64.49 -51.53 62.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.199 167.882 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 33.1 t -60.93 -34.9 75.42 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.163 175.605 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 83.7 tttt -71.02 -54.7 10.28 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.207 -173.898 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 47.1 m-85 -90.76 -33.42 15.74 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.184 -166.322 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 55' ' ' VAL . . . . . 0.494 ' O ' HG12 ' B' ' 55' ' ' VAL . 94.5 t -81.91 -9.38 11.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.179 -172.347 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 56' ' ' ASN . . . . . . . . . . . . . 76.9 m-20 62.28 61.68 1.26 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.233 -175.66 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 10.6 p -151.42 149.47 14.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.209 -171.461 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 58' ' ' SER . . . . . . . . . . . . . 59.5 p -87.01 170.75 11.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.223 179.674 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 97.0 mt -76.93 -23.13 52.45 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.156 -179.665 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 98.0 m-20 -68.89 -17.51 63.99 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.212 177.377 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 61' ' ' ASN . . . . . . . . . . . . . 48.3 m-80 -96.72 13.11 29.54 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.195 179.703 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 62' ' ' ILE . . . . . . . . . . . . . 77.0 mt -108.93 118.29 56.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.184 175.633 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 63' ' ' ARG . . . . . . . . . . . . . 79.8 ttt180 -96.52 127.57 42.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.146 178.86 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 64' ' ' ILE . . . . . . . . . . . . . 81.1 mt -114.79 116.53 52.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.214 -175.888 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 43.5 t -142.58 126.82 17.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.158 175.604 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 42.9 mt-30 -103.85 156.64 17.67 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.224 -179.225 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 71.2 tt0 -136.53 128.24 28.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.162 178.785 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 68' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -84.51 127.57 34.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.22 -179.275 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 69' ' ' GLN . . . . . . . . . . . . . 79.2 mm-40 -127.79 76.18 1.66 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.176 172.794 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 93.2 m-20 63.41 -100.67 0.09 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.234 -178.488 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 71' ' ' GLY . . . . . . . . . . . . . . . -108.69 9.58 34.88 Favored Glycine 0 CA--C 1.523 0.587 0 N-CA-C 111.19 -0.764 . . . . 0.0 111.19 -178.431 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 72' ' ' MET . . . . . . . . . . . . . 65.8 ttp -111.32 120.96 43.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.844 0.354 . . . . 0.0 111.194 178.451 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 73' ' ' ASP . . . . . . . . . . . . . 62.2 t0 -94.72 113.79 25.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.166 178.888 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 74' ' ' VAL . . . . . . . . . . . . . 95.9 t -105.58 126.85 60.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.187 -174.73 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 75' ' ' LEU . . . . . . . . . . . . . 48.5 tp -108.82 126.75 53.37 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.241 176.453 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 67.4 tt0 -110.25 118.3 35.97 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.162 175.419 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 85.7 mt -113.39 126.88 55.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.219 177.425 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 78' ' ' ASN . . . . . . . . . . . . . 72.6 m-80 -120.41 113.31 20.15 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.207 177.945 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 79' ' ' ILE . . . . . . . . . . . . . 5.2 mp -118.82 128.07 75.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.204 -170.9 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 80' ' ' THR . . . . . . . . . . . . . 91.4 m -53.6 118.4 3.87 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.219 178.023 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 54.4 tp . . . . . 0 C--O 1.199 -1.555 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.201 -176.91 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 59.1 p . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.83 0.347 . . . . 0.0 111.187 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 34.1 m -127.8 163.86 30.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.112 -179.221 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -159.17 172.59 17.79 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.206 -179.152 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -70.75 -21.51 62.52 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.199 179.018 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 65.5 t0 -75.63 109.8 9.5 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.24 176.316 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 82.9 mtm180 -136.65 157.46 46.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.165 179.859 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 62.1 mt -117.76 145.92 44.15 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.227 178.025 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 36.2 tt0 -141.17 117.71 10.88 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.159 179.904 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 4.9 mp -120.69 118.94 58.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.198 -179.58 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 87.0 mt -109.49 121.78 63.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.196 -178.559 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 80.2 mt -107.31 114.32 45.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.214 -178.072 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -103.48 138.59 39.99 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.204 -177.718 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 86.9 mt-30 -125.1 121.64 34.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.19 175.481 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 95.5 mt-10 -81.53 163.57 22.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.182 177.596 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 47.0 mtp180 59.99 56.41 3.42 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.16 -174.336 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -86.99 163.52 17.03 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.243 -176.9 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 65.2 mt-30 59.1 34.89 23.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.174 -179.868 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -129.34 168.1 16.75 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.242 176.922 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -76.16 -9.03 85.62 Favored Glycine 0 CA--C 1.523 0.57 0 N-CA-C 111.2 -0.76 . . . . 0.0 111.2 171.359 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 99.9 mm-40 -98.9 0.32 43.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.734 0.302 . . . . 0.0 111.125 177.785 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 93.6 m -62.57 129.78 92.98 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.183 179.536 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 86.1 Cg_exo -52.73 136.21 58.15 Favored 'Trans proline' 0 N--CA 1.457 -0.636 0 C-N-CA 121.662 1.575 . . . . 0.0 111.232 178.119 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 52.2 p-10 -112.27 41.1 2.06 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.212 178.502 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 62.9 m-85 -116.33 3.67 13.37 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.244 -172.699 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.563 ' N ' ' CD ' ' A' ' 41' ' ' PRO . 43.3 tp -68.23 -41.52 25.78 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.224 -178.069 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' PRO . . . . . 0.563 ' CD ' ' N ' ' A' ' 40' ' ' LEU . 92.7 Cg_exo -51.67 -35.25 56.81 Favored 'Trans proline' 0 N--CA 1.459 -0.533 0 C-N-CA 121.628 1.552 . . . . 0.0 111.188 177.609 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 92.5 m -80.02 -41.91 24.83 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.231 -177.851 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 79.4 mt -61.87 -37.36 84.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.186 176.957 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 68.3 ttp85 -59.53 -50.67 72.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.183 174.35 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -63.49 -35.16 79.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.259 177.818 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . . . -62.43 -47.57 83.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.181 179.819 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 88.8 mt -69.45 -50.87 41.51 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.189 -179.568 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 98.0 mtp -58.52 -34.39 70.92 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.173 -175.038 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 89.1 tt0 -61.48 -53.34 57.73 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.17 178.417 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 33.3 m -82.34 -28.71 9.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.226 -170.964 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 84.7 mt -66.67 -40.15 88.47 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.221 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 92.0 p -66.71 -23.21 66.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.223 179.578 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -83.03 -27.38 30.37 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.207 178.859 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 22.4 m-30 -69.37 -37.83 77.76 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.205 -176.742 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 35.6 m -119.52 3.54 6.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.289 -175.377 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 86.9 m-20 58.02 61.56 2.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.204 173.763 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 32.3 m -131.32 167.66 25.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.193 175.814 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 84.7 p -74.41 169.14 18.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.138 172.416 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 96.8 mt -74.86 -15.91 60.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.26 179.795 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -71.41 -12.24 61.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.226 175.701 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 21.8 m120 -95.19 17.05 14.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.203 178.492 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 85.9 mt -118.35 129.01 75.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.203 174.915 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' ARG . . . . . 0.409 ' HB3' ' HB2' ' A' ' 78' ' ' ASN . 79.7 ttt180 -96.19 124.69 40.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.146 -177.733 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 46.0 mm -109.98 102.94 14.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.156 -178.082 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 39.2 t -110.89 111.84 23.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.208 -175.541 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 68.9 tp60 -101.26 122.29 43.42 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.206 179.087 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -127.89 147.97 50.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.161 176.908 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -113.93 102.89 10.63 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.174 -177.386 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 96.0 mm-40 -88.88 59.92 5.26 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.14 178.074 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 90.5 m-20 63.1 -102.8 0.11 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.212 178.716 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -87.44 1.17 85.82 Favored Glycine 0 CA--C 1.522 0.528 0 N-CA-C 111.2 -0.76 . . . . 0.0 111.2 -175.702 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 68.1 ttp -131.42 130.36 42.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.773 0.32 . . . . 0.0 111.208 174.355 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 97.9 m-20 -105.44 138.04 42.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.218 174.099 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 34.8 m -124.65 147.53 29.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.173 -177.126 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 53.6 tp -131.41 115.79 16.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.219 177.614 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -102.0 122.9 44.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.177 -175.339 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 6.0 mp -112.46 112.37 23.87 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.244 -179.152 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 78' ' ' ASN . . . . . 0.409 ' HB2' ' HB3' ' A' ' 63' ' ' ARG . 72.7 m-80 -106.46 135.3 48.21 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.204 -179.371 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 21.6 tt -140.7 145.09 26.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.198 174.146 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 95.8 m -118.45 132.78 56.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.198 -171.258 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 55.1 tp . . . . . 0 C--O 1.199 -1.568 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.213 175.836 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 16' ' ' THR . . . . . . . . . . . . . 59.1 p . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.83 0.347 . . . . 0.0 111.187 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 34.1 m -127.8 163.86 30.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.112 -179.221 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -159.17 172.59 17.79 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.206 -179.152 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -70.75 -21.51 62.52 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.199 179.018 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 65.5 t0 -75.63 109.8 9.5 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.24 176.316 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 21' ' ' ARG . . . . . . . . . . . . . 82.9 mtm180 -136.65 157.46 46.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.165 179.859 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 62.1 mt -117.76 145.92 44.15 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.227 178.025 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 36.2 tt0 -141.17 117.71 10.88 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.159 179.904 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 24' ' ' ILE . . . . . 0.402 HD13 HD11 ' B' ' 51' ' ' LEU . 4.9 mp -120.69 118.94 58.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.198 -179.58 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 25' ' ' ILE . . . . . . . . . . . . . 87.0 mt -109.49 121.78 63.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.196 -178.559 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 80.2 mt -107.31 114.32 45.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.214 -178.072 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -103.48 138.59 39.99 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.204 -177.718 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 28' ' ' GLN . . . . . . . . . . . . . 86.9 mt-30 -125.1 121.64 34.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.19 175.481 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 95.5 mt-10 -81.53 163.57 22.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.182 177.596 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 47.0 mtp180 59.99 56.41 3.42 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.16 -174.336 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -86.99 163.52 17.03 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.243 -176.9 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 65.2 mt-30 59.1 34.89 23.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.174 -179.868 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -129.34 168.1 16.75 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.242 176.922 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -76.16 -9.03 85.62 Favored Glycine 0 CA--C 1.523 0.57 0 N-CA-C 111.2 -0.76 . . . . 0.0 111.2 171.359 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 35' ' ' GLN . . . . . . . . . . . . . 99.9 mm-40 -98.9 0.32 43.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.734 0.302 . . . . 0.0 111.125 177.785 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 36' ' ' THR . . . . . . . . . . . . . 93.6 m -62.57 129.78 92.98 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.183 179.536 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 86.1 Cg_exo -52.73 136.21 58.15 Favored 'Trans proline' 0 N--CA 1.457 -0.636 0 C-N-CA 121.662 1.575 . . . . 0.0 111.232 178.119 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 52.2 p-10 -112.27 41.1 2.06 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.212 178.502 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 39' ' ' TYR . . . . . . . . . . . . . 62.9 m-85 -116.33 3.67 13.37 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.244 -172.699 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 40' ' ' LEU . . . . . 0.576 ' N ' ' CD ' ' B' ' 41' ' ' PRO . 43.3 tp -68.23 -41.52 25.78 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.224 -178.069 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 41' ' ' PRO . . . . . 0.576 ' CD ' ' N ' ' B' ' 40' ' ' LEU . 92.7 Cg_exo -51.67 -35.25 56.81 Favored 'Trans proline' 0 N--CA 1.459 -0.533 0 C-N-CA 121.628 1.552 . . . . 0.0 111.188 177.609 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 92.5 m -80.02 -41.91 24.83 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.231 -177.851 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 79.4 mt -61.87 -37.36 84.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.186 176.957 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 44' ' ' ARG . . . . . . . . . . . . . 68.3 ttp85 -59.53 -50.67 72.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.183 174.35 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 45' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -63.49 -35.16 79.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.259 177.818 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . . . -62.43 -47.57 83.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.181 179.819 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 88.8 mt -69.45 -50.87 41.51 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.189 -179.568 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 48' ' ' MET . . . . . . . . . . . . . 98.0 mtp -58.52 -34.39 70.92 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.173 -175.038 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 89.1 tt0 -61.48 -53.34 57.73 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.17 178.417 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 50' ' ' VAL . . . . . . . . . . . . . 33.3 m -82.34 -28.71 9.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.226 -170.964 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 51' ' ' LEU . . . . . 0.402 HD11 HD13 ' B' ' 24' ' ' ILE . 84.7 mt -66.67 -40.15 88.47 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.221 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 92.0 p -66.71 -23.21 66.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.223 179.578 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -83.03 -27.38 30.37 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.207 178.859 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 22.4 m-30 -69.37 -37.83 77.76 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.205 -176.742 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 55' ' ' VAL . . . . . . . . . . . . . 35.6 m -119.52 3.54 6.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.289 -175.377 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 56' ' ' ASN . . . . . . . . . . . . . 86.9 m-20 58.02 61.56 2.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.204 173.763 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 32.3 m -131.32 167.66 25.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.193 175.814 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 58' ' ' SER . . . . . . . . . . . . . 84.7 p -74.41 169.14 18.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.138 172.416 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 96.8 mt -74.86 -15.91 60.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.26 179.795 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -71.41 -12.24 61.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.226 175.701 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 61' ' ' ASN . . . . . . . . . . . . . 21.8 m120 -95.19 17.05 14.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.203 178.492 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 62' ' ' ILE . . . . . . . . . . . . . 85.9 mt -118.35 129.01 75.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.203 174.915 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 63' ' ' ARG . . . . . 0.41 ' HB3' ' HB2' ' B' ' 78' ' ' ASN . 79.7 ttt180 -96.19 124.69 40.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.146 -177.733 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 64' ' ' ILE . . . . . . . . . . . . . 46.0 mm -109.98 102.94 14.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.156 -178.082 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 39.2 t -110.89 111.84 23.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.208 -175.541 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 68.9 tp60 -101.26 122.29 43.42 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.206 179.087 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -127.89 147.97 50.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.161 176.908 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 68' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -113.93 102.89 10.63 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.174 -177.386 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 69' ' ' GLN . . . . . . . . . . . . . 96.0 mm-40 -88.88 59.92 5.26 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.14 178.074 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 90.5 m-20 63.1 -102.8 0.11 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.212 178.716 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 71' ' ' GLY . . . . . . . . . . . . . . . -87.44 1.17 85.82 Favored Glycine 0 CA--C 1.522 0.528 0 N-CA-C 111.2 -0.76 . . . . 0.0 111.2 -175.702 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 72' ' ' MET . . . . . . . . . . . . . 68.1 ttp -131.42 130.36 42.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.773 0.32 . . . . 0.0 111.208 174.355 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 73' ' ' ASP . . . . . . . . . . . . . 97.9 m-20 -105.44 138.04 42.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.218 174.099 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 74' ' ' VAL . . . . . . . . . . . . . 34.8 m -124.65 147.53 29.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.173 -177.126 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 75' ' ' LEU . . . . . . . . . . . . . 53.6 tp -131.41 115.79 16.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.219 177.614 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -102.0 122.9 44.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.177 -175.339 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 6.0 mp -112.46 112.37 23.87 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.244 -179.152 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 78' ' ' ASN . . . . . 0.41 ' HB2' ' HB3' ' B' ' 63' ' ' ARG . 72.7 m-80 -106.46 135.3 48.21 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.204 -179.371 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 79' ' ' ILE . . . . . . . . . . . . . 21.6 tt -140.7 145.09 26.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.198 174.146 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 80' ' ' THR . . . . . . . . . . . . . 95.8 m -118.45 132.78 56.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.198 -171.258 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 55.1 tp . . . . . 0 C--O 1.199 -1.568 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.213 175.836 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 95.3 m . . . . . 0 C--O 1.231 0.085 0 CA-C-O 120.841 0.353 . . . . 0.0 111.235 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 91.3 t -106.94 128.85 61.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.152 -176.899 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -122.38 179.61 4.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.154 178.44 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -75.33 65.36 1.63 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.233 177.402 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 61.4 t0 -151.96 118.29 5.61 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.198 -176.03 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 85.3 mtp180 -124.24 141.87 51.71 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.189 -176.589 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 5.2 mp -120.09 143.5 48.1 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.205 -179.091 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 92.9 mm-40 -119.94 128.13 53.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.215 171.901 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.495 ' HB ' ' HB2' ' A' ' 77' ' ' LEU . 68.8 mt -114.54 108.36 25.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.17 171.965 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 43.9 mm -100.4 114.63 39.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.222 -179.288 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 36.0 mm -104.09 100.05 9.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.159 178.43 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -109.17 109.82 20.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.269 -176.638 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 66.3 tt0 -103.43 101.63 11.53 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.214 178.194 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -93.48 133.34 36.86 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.219 -173.945 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 60.25 54.67 3.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.215 -174.298 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -62.3 116.64 5.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.186 -170.017 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 95.4 mm-40 -106.33 -39.26 5.97 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.155 176.035 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 79.4 mm-40 -92.97 -10.8 35.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.219 176.179 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -80.55 -4.06 90.12 Favored Glycine 0 CA--C 1.523 0.532 0 N-CA-C 111.203 -0.759 . . . . 0.0 111.203 176.797 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 77.6 mt-30 -80.41 -7.18 59.02 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.848 0.356 . . . . 0.0 111.234 175.774 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.41 ' HA ' ' HD3' ' A' ' 37' ' ' PRO . 96.4 m -106.78 128.58 25.87 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.154 -179.074 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.436 ' O ' ' HB2' ' A' ' 38' ' ' ASP . 74.6 Cg_exo -53.87 150.28 30.59 Favored 'Trans proline' 0 N--CA 1.459 -0.549 0 C-N-CA 121.735 1.623 . . . . 0.0 111.167 177.707 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' ASP . . . . . 0.436 ' HB2' ' O ' ' A' ' 37' ' ' PRO . 70.5 m-20 68.31 31.22 5.21 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.198 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 61.1 t80 -95.38 -72.45 0.63 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.197 164.727 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.58 ' N ' ' CD ' ' A' ' 41' ' ' PRO . 85.6 mt -68.27 -40.57 21.27 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.203 178.772 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' PRO . . . . . 0.58 ' CD ' ' N ' ' A' ' 40' ' ' LEU . 74.6 Cg_exo -50.77 -33.36 40.31 Favored 'Trans proline' 0 N--CA 1.458 -0.607 0 C-N-CA 121.7 1.6 . . . . 0.0 111.192 179.207 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 82.7 p -87.71 -26.62 22.86 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.19 -175.822 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 97.1 mt -75.39 -31.64 60.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.173 171.9 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 81.1 mtp180 -65.18 -43.13 92.67 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.216 173.893 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -69.72 -31.43 69.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.223 175.294 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . . . -64.54 -48.87 73.46 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.138 176.505 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 90.7 mt -61.31 -35.79 78.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.248 177.696 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 60.1 ttp -59.0 -49.76 76.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.239 175.298 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -66.68 -40.05 88.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.259 -177.887 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 53.0 t -63.37 -51.2 73.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.148 177.764 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 80.9 mt -62.97 -35.94 81.82 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.156 -179.148 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 68.2 m -73.98 -34.06 64.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.142 179.425 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 83.0 tttt -74.25 -61.99 1.67 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.203 -177.276 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 89.6 m-85 -83.14 -40.04 20.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.205 -163.795 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 34.7 m -118.72 9.78 6.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.214 -171.597 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 87.4 m-20 56.21 50.07 14.17 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.178 167.177 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.411 HG11 HG23 ' A' ' 79' ' ' ILE . 71.4 t -109.89 140.05 30.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.232 175.213 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 83.0 p -89.95 162.58 15.34 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.161 -175.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 39.4 tp -61.56 -30.06 70.41 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.178 174.473 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -68.18 -37.41 80.92 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.198 177.443 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 94.6 m-20 -77.49 -3.71 41.87 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.183 178.31 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 70.3 mt -108.91 117.03 53.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.166 177.236 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 79.4 ttt180 -109.84 117.22 33.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.191 175.741 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.411 HG12 ' HG ' ' A' ' 77' ' ' LEU . 86.6 mt -105.55 117.62 51.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.157 -176.309 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 39.9 t -111.34 116.53 31.14 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.261 178.049 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 66.2 tt0 -91.18 116.2 28.63 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.222 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -115.71 140.42 49.21 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.155 179.62 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -102.79 112.98 26.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.185 -179.671 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' GLN . . . . . 0.554 ' O ' ' HB3' ' A' ' 70' ' ' ASP . 99.6 mm-40 -108.31 47.71 0.89 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.16 174.003 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 70' ' ' ASP . . . . . 0.554 ' HB3' ' O ' ' A' ' 69' ' ' GLN . 51.7 t0 84.52 -97.31 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.176 177.491 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -99.29 -6.46 55.4 Favored Glycine 0 CA--C 1.523 0.578 0 N-CA-C 111.196 -0.762 . . . . 0.0 111.196 175.069 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' MET . . . . . 0.406 ' HB3' ' HB2' ' A' ' 69' ' ' GLN . 56.5 ttm -101.19 115.53 30.7 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.809 0.338 . . . . 0.0 111.165 176.768 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 53.9 t0 -99.92 115.67 30.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.167 176.119 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 96.7 t -108.93 124.59 65.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.188 -173.465 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 56.0 mt -107.63 115.17 29.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.217 174.367 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -98.7 115.07 27.9 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.229 -179.183 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.495 ' HB2' ' HB ' ' A' ' 24' ' ' ILE . 9.1 mp -97.36 110.58 23.1 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.204 175.344 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 51.9 t30 -92.69 102.41 14.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.192 174.238 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.411 HG23 HG11 ' A' ' 57' ' ' VAL . 74.7 mt -109.35 119.56 58.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.167 -166.938 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 97.6 m -94.75 113.99 25.83 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.19 170.854 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 53.8 tp . . . . . 0 C--O 1.2 -1.509 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.242 -178.585 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 16' ' ' THR . . . . . . . . . . . . . 95.3 m . . . . . 0 C--O 1.231 0.085 0 CA-C-O 120.841 0.353 . . . . 0.0 111.235 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 91.3 t -106.94 128.85 61.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.152 -176.899 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -122.38 179.61 4.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.154 178.44 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -75.33 65.36 1.63 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.233 177.402 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 61.4 t0 -151.96 118.29 5.61 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.198 -176.03 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 21' ' ' ARG . . . . . . . . . . . . . 85.3 mtp180 -124.24 141.87 51.71 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.189 -176.589 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 5.2 mp -120.09 143.5 48.1 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.205 -179.091 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 92.9 mm-40 -119.94 128.13 53.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.215 171.901 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 24' ' ' ILE . . . . . 0.493 ' HB ' ' HB2' ' B' ' 77' ' ' LEU . 68.8 mt -114.54 108.36 25.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.17 171.965 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 25' ' ' ILE . . . . . . . . . . . . . 43.9 mm -100.4 114.63 39.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.222 -179.288 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 36.0 mm -104.09 100.05 9.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.159 178.43 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -109.17 109.82 20.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.269 -176.638 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 28' ' ' GLN . . . . . . . . . . . . . 66.3 tt0 -103.43 101.63 11.53 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.214 178.194 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -93.48 133.34 36.86 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.219 -173.945 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 60.25 54.67 3.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.215 -174.298 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -62.3 116.64 5.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.186 -170.017 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 95.4 mm-40 -106.33 -39.26 5.97 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.155 176.035 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 79.4 mm-40 -92.97 -10.8 35.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.219 176.179 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -80.55 -4.06 90.12 Favored Glycine 0 CA--C 1.523 0.532 0 N-CA-C 111.203 -0.759 . . . . 0.0 111.203 176.797 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 35' ' ' GLN . . . . . . . . . . . . . 77.6 mt-30 -80.41 -7.18 59.02 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.848 0.356 . . . . 0.0 111.234 175.774 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 36' ' ' THR . . . . . . . . . . . . . 96.4 m -106.78 128.58 25.87 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.154 -179.074 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 37' ' ' PRO . . . . . 0.434 ' O ' ' HB2' ' B' ' 38' ' ' ASP . 74.6 Cg_exo -53.87 150.28 30.59 Favored 'Trans proline' 0 N--CA 1.459 -0.549 0 C-N-CA 121.735 1.623 . . . . 0.0 111.167 177.707 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 38' ' ' ASP . . . . . 0.434 ' HB2' ' O ' ' B' ' 37' ' ' PRO . 70.5 m-20 68.31 31.22 5.21 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.198 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 39' ' ' TYR . . . . . . . . . . . . . 61.1 t80 -95.38 -72.45 0.63 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.197 164.727 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 40' ' ' LEU . . . . . 0.563 ' N ' ' CD ' ' B' ' 41' ' ' PRO . 85.6 mt -68.27 -40.57 21.27 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.203 178.772 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 41' ' ' PRO . . . . . 0.563 ' CD ' ' N ' ' B' ' 40' ' ' LEU . 74.6 Cg_exo -50.77 -33.36 40.31 Favored 'Trans proline' 0 N--CA 1.458 -0.607 0 C-N-CA 121.7 1.6 . . . . 0.0 111.192 179.207 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 82.7 p -87.71 -26.62 22.86 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.19 -175.822 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 97.1 mt -75.39 -31.64 60.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.173 171.9 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 44' ' ' ARG . . . . . . . . . . . . . 81.1 mtp180 -65.18 -43.13 92.67 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.216 173.893 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 45' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -69.72 -31.43 69.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.223 175.294 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . . . -64.54 -48.87 73.46 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.138 176.505 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 90.7 mt -61.31 -35.79 78.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.248 177.696 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 48' ' ' MET . . . . . . . . . . . . . 60.1 ttp -59.0 -49.76 76.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.239 175.298 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -66.68 -40.05 88.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.259 -177.887 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 50' ' ' VAL . . . . . . . . . . . . . 53.0 t -63.37 -51.2 73.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.148 177.764 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 80.9 mt -62.97 -35.94 81.82 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.156 -179.148 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 68.2 m -73.98 -34.06 64.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.142 179.425 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 83.0 tttt -74.25 -61.99 1.67 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.203 -177.276 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 89.6 m-85 -83.14 -40.04 20.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.205 -163.795 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 55' ' ' VAL . . . . . . . . . . . . . 34.7 m -118.72 9.78 6.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.214 -171.597 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 56' ' ' ASN . . . . . . . . . . . . . 87.4 m-20 56.21 50.07 14.17 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.178 167.177 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 57' ' ' VAL . . . . . 0.42 HG11 HG23 ' B' ' 79' ' ' ILE . 71.4 t -109.89 140.05 30.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.232 175.213 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 58' ' ' SER . . . . . . . . . . . . . 83.0 p -89.95 162.58 15.34 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.161 -175.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 39.4 tp -61.56 -30.06 70.41 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.178 174.473 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -68.18 -37.41 80.92 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.198 177.443 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 61' ' ' ASN . . . . . . . . . . . . . 94.6 m-20 -77.49 -3.71 41.87 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.183 178.31 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 62' ' ' ILE . . . . . . . . . . . . . 70.3 mt -108.91 117.03 53.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.166 177.236 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 63' ' ' ARG . . . . . . . . . . . . . 79.4 ttt180 -109.84 117.22 33.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.191 175.741 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 64' ' ' ILE . . . . . 0.413 HG12 ' HG ' ' B' ' 77' ' ' LEU . 86.6 mt -105.55 117.62 51.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.157 -176.309 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 39.9 t -111.34 116.53 31.14 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.261 178.049 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 66.2 tt0 -91.18 116.2 28.63 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.222 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -115.71 140.42 49.21 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.155 179.62 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 68' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -102.79 112.98 26.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.185 -179.671 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 69' ' ' GLN . . . . . 0.549 ' O ' ' HB3' ' B' ' 70' ' ' ASP . 99.6 mm-40 -108.31 47.71 0.89 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.16 174.003 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 70' ' ' ASP . . . . . 0.549 ' HB3' ' O ' ' B' ' 69' ' ' GLN . 51.7 t0 84.52 -97.31 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.176 177.491 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 71' ' ' GLY . . . . . . . . . . . . . . . -99.29 -6.46 55.4 Favored Glycine 0 CA--C 1.523 0.578 0 N-CA-C 111.196 -0.762 . . . . 0.0 111.196 175.069 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 72' ' ' MET . . . . . 0.423 ' HB3' ' HB2' ' B' ' 69' ' ' GLN . 56.5 ttm -101.19 115.53 30.7 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.809 0.338 . . . . 0.0 111.165 176.768 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 73' ' ' ASP . . . . . . . . . . . . . 53.9 t0 -99.92 115.67 30.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.167 176.119 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 74' ' ' VAL . . . . . . . . . . . . . 96.7 t -108.93 124.59 65.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.188 -173.465 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 75' ' ' LEU . . . . . . . . . . . . . 56.0 mt -107.63 115.17 29.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.217 174.367 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -98.7 115.07 27.9 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.229 -179.183 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 77' ' ' LEU . . . . . 0.493 ' HB2' ' HB ' ' B' ' 24' ' ' ILE . 9.1 mp -97.36 110.58 23.1 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.204 175.344 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 78' ' ' ASN . . . . . . . . . . . . . 51.9 t30 -92.69 102.41 14.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.192 174.238 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 79' ' ' ILE . . . . . 0.42 HG23 HG11 ' B' ' 57' ' ' VAL . 74.7 mt -109.35 119.56 58.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.167 -166.938 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 80' ' ' THR . . . . . . . . . . . . . 97.6 m -94.75 113.99 25.83 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.19 170.854 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 53.8 tp . . . . . 0 C--O 1.2 -1.509 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.242 -178.585 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 92.6 m-20 . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.831 0.348 . . . . 0.0 111.216 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 72.3 ttt180 -96.68 124.33 40.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.196 -179.86 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 55.8 tp -112.65 113.82 26.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.146 -179.107 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 46.3 tt0 -117.87 125.41 50.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.168 -178.446 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 69.9 mt -131.18 119.14 43.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.203 -178.105 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 89.6 mt -116.26 123.78 71.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.19 -177.299 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 4.8 mp -111.51 120.1 61.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.21 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -120.19 125.75 48.96 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.185 -175.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . 0.407 ' O ' ' HA ' ' A' ' 72' ' ' MET . 58.3 tt0 -108.23 102.33 11.47 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.22 171.772 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.404 ' HG2' ' HG3' ' A' ' 30' ' ' ARG . 86.2 tt0 -88.27 134.37 33.82 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.22 -172.532 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.404 ' HG3' ' HG2' ' A' ' 29' ' ' GLU . 99.5 mtt180 . . . . . 0 C--N 1.33 -0.253 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.234 -176.162 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 40.3 p90 . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.825 0.345 . . . . 0.0 111.197 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.571 ' N ' ' CD ' ' A' ' 41' ' ' PRO . 78.1 mt -70.27 -42.08 15.28 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.175 -177.822 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . 0.571 ' CD ' ' N ' ' A' ' 40' ' ' LEU . 95.2 Cg_exo -51.1 -38.37 59.92 Favored 'Trans proline' 0 N--CA 1.457 -0.627 0 C-N-CA 121.759 1.639 . . . . 0.0 111.204 177.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 96.0 m -72.4 -42.47 65.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.153 177.422 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.422 ' O ' ' HG ' ' A' ' 47' ' ' LEU . 79.7 mt -62.86 -35.25 79.37 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.187 178.168 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 98.6 mtt180 -57.92 -45.86 85.87 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.23 177.454 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -66.78 -32.88 74.45 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.181 174.237 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . . . -70.22 -31.93 69.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.209 -176.776 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.422 ' HG ' ' O ' ' A' ' 43' ' ' LEU . 79.3 mt -95.06 -32.72 12.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.24 -174.408 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 99.1 mtp -83.37 -51.23 7.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.233 -178.37 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 99.5 mt-10 -93.63 -50.85 5.2 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.186 -170.783 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 73.6 t -71.13 -53.12 22.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.279 -167.14 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 68.3 mt -64.77 -36.69 85.13 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.243 -179.767 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 36.6 t -53.35 -40.19 64.72 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.224 -179.832 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -69.75 -24.47 63.54 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.243 -177.48 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 20.2 m-85 -82.73 -31.69 28.31 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.234 -176.919 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 35.7 m -109.08 -6.83 11.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.15 -177.692 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 87.2 m-20 56.85 47.3 18.19 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.171 178.748 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 83.8 t -119.22 137.28 53.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.188 -179.691 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 83.6 p -77.76 159.21 29.21 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.236 -174.248 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 93.7 mt -67.69 -18.24 64.85 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.201 177.609 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -70.7 -35.61 72.85 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.187 172.254 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 90.0 m-20 -91.52 7.18 42.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.187 178.794 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.427 HG12 HG12 ' A' ' 79' ' ' ILE . 97.4 mt -113.69 127.58 70.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.178 176.095 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 79.7 ttt180 -102.41 123.11 45.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.221 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 91.6 mt -126.17 125.27 67.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.168 178.286 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 43.8 t -135.39 107.62 7.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.187 -177.879 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 64.6 tt0 -94.8 121.33 36.27 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.145 172.55 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 87.5 tt0 -143.56 131.25 21.31 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.185 -175.73 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 86.2 tttt -101.9 115.73 31.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.208 -179.597 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 80.6 mm-40 -120.98 147.86 44.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.231 172.28 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 77.6 m-20 47.81 -118.39 0.95 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.217 -170.025 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -112.12 12.15 26.64 Favored Glycine 0 CA--C 1.523 0.551 0 N-CA-C 111.242 -0.743 . . . . 0.0 111.242 175.286 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . 0.407 ' HA ' ' O ' ' A' ' 28' ' ' GLN . 60.5 ttm -107.24 126.93 53.05 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.87 0.367 . . . . 0.0 111.202 -177.586 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 65.2 t0 -96.82 114.7 26.35 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.251 172.168 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 93.8 t -107.82 125.78 64.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.202 -174.275 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 65.6 tp -113.78 110.06 19.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.202 174.519 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 75.1 tt0 -101.68 127.96 48.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.208 -173.054 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 41.2 tp -114.38 129.65 56.66 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.173 176.442 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 69.9 m-80 -128.8 106.18 8.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.207 171.158 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.427 HG12 HG12 ' A' ' 62' ' ' ILE . 69.3 mt -102.62 115.13 44.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.198 177.045 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 71.5 p -123.13 163.46 20.52 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.205 -177.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 54.4 tp . . . . . 0 C--O 1.2 -1.508 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.178 -179.332 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 92.6 m-20 . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.831 0.348 . . . . 0.0 111.216 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' B' B ' 21' ' ' ARG . . . . . . . . . . . . . 72.3 ttt180 -96.68 124.33 40.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.196 -179.86 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 55.8 tp -112.65 113.82 26.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.146 -179.107 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 46.3 tt0 -117.87 125.41 50.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.168 -178.446 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 24' ' ' ILE . . . . . . . . . . . . . 69.9 mt -131.18 119.14 43.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.203 -178.105 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 25' ' ' ILE . . . . . . . . . . . . . 89.6 mt -116.26 123.78 71.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.19 -177.299 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 4.8 mp -111.51 120.1 61.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.21 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -120.19 125.75 48.96 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.185 -175.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 28' ' ' GLN . . . . . 0.406 ' O ' ' HA ' ' B' ' 72' ' ' MET . 58.3 tt0 -108.23 102.33 11.47 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.22 171.772 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 86.2 tt0 -88.27 134.37 33.82 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.22 -172.532 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 . . . . . 0 C--N 1.33 -0.253 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.234 -176.162 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' B' B ' 39' ' ' TYR . . . . . . . . . . . . . 40.3 p90 . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.825 0.345 . . . . 0.0 111.197 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' B' B ' 40' ' ' LEU . . . . . 0.57 ' N ' ' CD ' ' B' ' 41' ' ' PRO . 78.1 mt -70.27 -42.08 15.28 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.175 -177.822 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 41' ' ' PRO . . . . . 0.57 ' CD ' ' N ' ' B' ' 40' ' ' LEU . 95.2 Cg_exo -51.1 -38.37 59.92 Favored 'Trans proline' 0 N--CA 1.457 -0.627 0 C-N-CA 121.759 1.639 . . . . 0.0 111.204 177.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 96.0 m -72.4 -42.47 65.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.153 177.422 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 43' ' ' LEU . . . . . 0.424 ' O ' ' HG ' ' B' ' 47' ' ' LEU . 79.7 mt -62.86 -35.25 79.37 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.187 178.168 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 44' ' ' ARG . . . . . . . . . . . . . 98.6 mtt180 -57.92 -45.86 85.87 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.23 177.454 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 45' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -66.78 -32.88 74.45 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.181 174.237 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . . . -70.22 -31.93 69.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.209 -176.776 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 47' ' ' LEU . . . . . 0.424 ' HG ' ' O ' ' B' ' 43' ' ' LEU . 79.3 mt -95.06 -32.72 12.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.24 -174.408 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 48' ' ' MET . . . . . . . . . . . . . 99.1 mtp -83.37 -51.23 7.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.233 -178.37 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 99.5 mt-10 -93.63 -50.85 5.2 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.186 -170.783 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 50' ' ' VAL . . . . . . . . . . . . . 73.6 t -71.13 -53.12 22.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.279 -167.14 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 68.3 mt -64.77 -36.69 85.13 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.243 -179.767 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 36.6 t -53.35 -40.19 64.72 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.224 -179.832 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -69.75 -24.47 63.54 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.243 -177.48 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 20.2 m-85 -82.73 -31.69 28.31 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.234 -176.919 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 55' ' ' VAL . . . . . . . . . . . . . 35.7 m -109.08 -6.83 11.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.15 -177.692 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 56' ' ' ASN . . . . . . . . . . . . . 87.2 m-20 56.85 47.3 18.19 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.171 178.748 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 83.8 t -119.22 137.28 53.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.188 -179.691 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 58' ' ' SER . . . . . . . . . . . . . 83.6 p -77.76 159.21 29.21 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.236 -174.248 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 93.7 mt -67.69 -18.24 64.85 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.201 177.609 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -70.7 -35.61 72.85 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.187 172.254 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 61' ' ' ASN . . . . . . . . . . . . . 90.0 m-20 -91.52 7.18 42.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.187 178.794 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 62' ' ' ILE . . . . . 0.432 HG12 HG12 ' B' ' 79' ' ' ILE . 97.4 mt -113.69 127.58 70.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.178 176.095 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 63' ' ' ARG . . . . . . . . . . . . . 79.7 ttt180 -102.41 123.11 45.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.221 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 64' ' ' ILE . . . . . . . . . . . . . 91.6 mt -126.17 125.27 67.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.168 178.286 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 43.8 t -135.39 107.62 7.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.187 -177.879 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 64.6 tt0 -94.8 121.33 36.27 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.145 172.55 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 87.5 tt0 -143.56 131.25 21.31 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.185 -175.73 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 68' ' ' LYS . . . . . . . . . . . . . 86.2 tttt -101.9 115.73 31.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.208 -179.597 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 69' ' ' GLN . . . . . . . . . . . . . 80.6 mm-40 -120.98 147.86 44.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.231 172.28 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 77.6 m-20 47.81 -118.39 0.95 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.217 -170.025 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 71' ' ' GLY . . . . . . . . . . . . . . . -112.12 12.15 26.64 Favored Glycine 0 CA--C 1.523 0.551 0 N-CA-C 111.242 -0.743 . . . . 0.0 111.242 175.286 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 72' ' ' MET . . . . . 0.406 ' HA ' ' O ' ' B' ' 28' ' ' GLN . 60.5 ttm -107.24 126.93 53.05 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.87 0.367 . . . . 0.0 111.202 -177.586 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 73' ' ' ASP . . . . . . . . . . . . . 65.2 t0 -96.82 114.7 26.35 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.251 172.168 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 74' ' ' VAL . . . . . . . . . . . . . 93.8 t -107.82 125.78 64.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.202 -174.275 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 75' ' ' LEU . . . . . . . . . . . . . 65.6 tp -113.78 110.06 19.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.202 174.519 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 75.1 tt0 -101.68 127.96 48.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.208 -173.054 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 41.2 tp -114.38 129.65 56.66 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.173 176.442 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 78' ' ' ASN . . . . . . . . . . . . . 69.9 m-80 -128.8 106.18 8.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.207 171.158 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 79' ' ' ILE . . . . . 0.432 HG12 HG12 ' B' ' 62' ' ' ILE . 69.3 mt -102.62 115.13 44.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.198 177.045 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 80' ' ' THR . . . . . . . . . . . . . 71.5 p -123.13 163.46 20.52 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.205 -177.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 54.4 tp . . . . . 0 C--O 1.2 -1.508 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.178 -179.332 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 6.0 t0 . . . . . 0 C--O 1.232 0.15 0 CA-C-O 120.783 0.325 . . . . 0.0 111.197 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 62.1 ttp180 -155.06 134.77 12.76 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.197 178.876 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 65.8 mt -117.09 150.1 39.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.184 176.273 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 37.3 tt0 -143.26 122.82 13.23 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.231 177.739 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 87.6 mt -123.73 125.14 70.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.19 178.854 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 47.6 mm -111.15 117.71 55.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.183 177.442 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 87.2 mt -110.95 107.08 22.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.21 179.037 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -101.29 115.59 30.85 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.155 -176.643 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 62.0 tt0 -109.06 104.21 13.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.211 176.741 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 89.6 mt-10 -73.3 133.24 43.83 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.178 178.327 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 75.5 mtp85 . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.181 -176.513 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 65.1 m-85 . . . . . 0 C--O 1.23 0.066 0 CA-C-O 120.814 0.34 . . . . 0.0 111.241 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.634 ' N ' ' CD ' ' A' ' 41' ' ' PRO . 94.5 mt -69.22 -37.97 9.83 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.203 -168.395 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . 0.634 ' CD ' ' N ' ' A' ' 40' ' ' LEU . 98.9 Cg_exo -53.53 -31.93 61.24 Favored 'Trans proline' 0 N--CA 1.459 -0.557 0 C-N-CA 121.687 1.592 . . . . 0.0 111.182 -179.385 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 65.0 p -92.55 -28.65 16.63 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.21 -178.819 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 91.7 mt -75.87 -30.67 58.95 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.181 -178.042 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 35.0 ptt180 -65.65 -21.24 66.54 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.227 175.878 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -98.64 -38.5 9.1 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.192 178.268 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . . . -55.2 -62.55 1.59 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.128 -177.469 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 87.5 mt -63.19 -42.59 99.35 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.14 -176.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 36.2 mmt -75.74 -35.28 60.24 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.216 -166.72 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -74.42 -37.42 63.34 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.209 -179.747 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 71.3 t -72.34 -48.14 49.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.197 178.464 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.427 ' O ' HG22 ' A' ' 55' ' ' VAL . 87.8 mt -66.69 -30.62 70.91 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.183 -179.264 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 37.8 t -47.47 -45.74 26.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.2 -178.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -78.11 -14.63 59.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.192 -176.792 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 21.9 m-30 -90.56 -32.47 16.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.182 179.202 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.427 HG22 ' O ' ' A' ' 51' ' ' LEU . 23.1 m -100.63 -12.24 8.54 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.228 -178.443 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 82.3 m-20 65.14 46.06 2.83 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.18 179.559 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 96.8 t -129.52 136.66 58.76 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.228 -179.135 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 31.4 t -71.8 147.58 47.11 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.21 -175.408 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 94.1 mt -60.55 -27.85 67.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.145 175.814 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -67.7 -36.04 79.92 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.151 175.78 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 98.2 m-20 -76.2 -27.32 56.82 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.154 178.033 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 96.6 mt -75.5 133.95 30.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.226 179.197 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 79.6 ttt180 -100.13 123.91 44.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.207 -174.931 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 85.1 mt -120.56 118.49 56.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.225 179.132 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 43.9 t -135.15 104.04 5.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.178 -178.162 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 59.7 tt0 -94.53 135.63 35.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.144 171.576 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -141.55 132.36 25.8 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.215 -176.867 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -77.68 135.01 38.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.213 175.703 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 71.1 tp60 -133.52 112.98 11.96 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.153 178.065 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 80.6 m-20 58.14 -106.84 0.33 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.228 -176.565 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -121.05 40.11 2.22 Favored Glycine 0 CA--C 1.523 0.58 0 N-CA-C 111.207 -0.757 . . . . 0.0 111.207 178.651 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 28.5 ptm -155.06 166.45 33.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.774 0.321 . . . . 0.0 111.227 176.593 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 86.9 m-20 -118.99 138.09 53.06 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.189 179.57 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 95.8 t -123.36 132.09 72.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.2 179.514 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 56.6 tp -112.01 123.23 49.8 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.239 -178.164 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 79.2 tt0 -107.6 120.23 41.62 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.173 179.635 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 55.9 mt -120.15 109.31 15.29 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.196 -176.624 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 79.1 m-20 -111.63 131.15 55.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.192 -178.36 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 79.9 mt -117.75 125.37 74.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.192 175.845 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 98.0 m -101.98 120.95 41.23 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.223 177.251 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 6.8 mp . . . . . 0 C--O 1.199 -1.577 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.17 -178.41 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 6.0 t0 . . . . . 0 C--O 1.232 0.15 0 CA-C-O 120.783 0.325 . . . . 0.0 111.197 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' B' B ' 21' ' ' ARG . . . . . . . . . . . . . 62.1 ttp180 -155.06 134.77 12.76 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.197 178.876 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 65.8 mt -117.09 150.1 39.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.184 176.273 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 37.3 tt0 -143.26 122.82 13.23 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.231 177.739 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 24' ' ' ILE . . . . . . . . . . . . . 87.6 mt -123.73 125.14 70.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.19 178.854 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 25' ' ' ILE . . . . . . . . . . . . . 47.6 mm -111.15 117.71 55.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.183 177.442 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 87.2 mt -110.95 107.08 22.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.21 179.037 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -101.29 115.59 30.85 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.155 -176.643 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 28' ' ' GLN . . . . . . . . . . . . . 62.0 tt0 -109.06 104.21 13.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.211 176.741 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 89.6 mt-10 -73.3 133.24 43.83 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.178 178.327 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 75.5 mtp85 . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.181 -176.513 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' B' B ' 39' ' ' TYR . . . . . . . . . . . . . 65.1 m-85 . . . . . 0 C--O 1.23 0.066 0 CA-C-O 120.814 0.34 . . . . 0.0 111.241 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' B' B ' 40' ' ' LEU . . . . . 0.635 ' N ' ' CD ' ' B' ' 41' ' ' PRO . 94.5 mt -69.22 -37.97 9.83 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.203 -168.395 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 41' ' ' PRO . . . . . 0.635 ' CD ' ' N ' ' B' ' 40' ' ' LEU . 98.9 Cg_exo -53.53 -31.93 61.24 Favored 'Trans proline' 0 N--CA 1.459 -0.557 0 C-N-CA 121.687 1.592 . . . . 0.0 111.182 -179.385 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 65.0 p -92.55 -28.65 16.63 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.21 -178.819 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 91.7 mt -75.87 -30.67 58.95 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.181 -178.042 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 44' ' ' ARG . . . . . . . . . . . . . 35.0 ptt180 -65.65 -21.24 66.54 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.227 175.878 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 45' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -98.64 -38.5 9.1 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.192 178.268 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . . . -55.2 -62.55 1.59 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.128 -177.469 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 87.5 mt -63.19 -42.59 99.35 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.14 -176.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 48' ' ' MET . . . . . . . . . . . . . 36.2 mmt -75.74 -35.28 60.24 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.216 -166.72 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -74.42 -37.42 63.34 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.209 -179.747 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 50' ' ' VAL . . . . . . . . . . . . . 71.3 t -72.34 -48.14 49.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.197 178.464 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 51' ' ' LEU . . . . . 0.413 ' O ' HG22 ' B' ' 55' ' ' VAL . 87.8 mt -66.69 -30.62 70.91 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.183 -179.264 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 37.8 t -47.47 -45.74 26.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.2 -178.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -78.11 -14.63 59.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.192 -176.792 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 21.9 m-30 -90.56 -32.47 16.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.182 179.202 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 55' ' ' VAL . . . . . 0.413 HG22 ' O ' ' B' ' 51' ' ' LEU . 23.1 m -100.63 -12.24 8.54 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.228 -178.443 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 56' ' ' ASN . . . . . . . . . . . . . 82.3 m-20 65.14 46.06 2.83 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.18 179.559 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 96.8 t -129.52 136.66 58.76 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.228 -179.135 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 58' ' ' SER . . . . . . . . . . . . . 31.4 t -71.8 147.58 47.11 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.21 -175.408 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 94.1 mt -60.55 -27.85 67.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.145 175.814 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -67.7 -36.04 79.92 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.151 175.78 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 61' ' ' ASN . . . . . . . . . . . . . 98.2 m-20 -76.2 -27.32 56.82 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.154 178.033 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 62' ' ' ILE . . . . . . . . . . . . . 96.6 mt -75.5 133.95 30.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.226 179.197 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 63' ' ' ARG . . . . . . . . . . . . . 79.6 ttt180 -100.13 123.91 44.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.207 -174.931 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 64' ' ' ILE . . . . . . . . . . . . . 85.1 mt -120.56 118.49 56.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.225 179.132 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 43.9 t -135.15 104.04 5.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.178 -178.162 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 59.7 tt0 -94.53 135.63 35.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.144 171.576 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -141.55 132.36 25.8 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.215 -176.867 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 68' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -77.68 135.01 38.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.213 175.703 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 69' ' ' GLN . . . . . . . . . . . . . 71.1 tp60 -133.52 112.98 11.96 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.153 178.065 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 80.6 m-20 58.14 -106.84 0.33 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.228 -176.565 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 71' ' ' GLY . . . . . . . . . . . . . . . -121.05 40.11 2.22 Favored Glycine 0 CA--C 1.523 0.58 0 N-CA-C 111.207 -0.757 . . . . 0.0 111.207 178.651 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 72' ' ' MET . . . . . . . . . . . . . 28.5 ptm -155.06 166.45 33.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.774 0.321 . . . . 0.0 111.227 176.593 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 73' ' ' ASP . . . . . . . . . . . . . 86.9 m-20 -118.99 138.09 53.06 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.189 179.57 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 74' ' ' VAL . . . . . . . . . . . . . 95.8 t -123.36 132.09 72.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.2 179.514 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 75' ' ' LEU . . . . . . . . . . . . . 56.6 tp -112.01 123.23 49.8 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.239 -178.164 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 79.2 tt0 -107.6 120.23 41.62 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.173 179.635 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 55.9 mt -120.15 109.31 15.29 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.196 -176.624 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 78' ' ' ASN . . . . . . . . . . . . . 79.1 m-20 -111.63 131.15 55.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.192 -178.36 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 79' ' ' ILE . . . . . . . . . . . . . 79.9 mt -117.75 125.37 74.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.192 175.845 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 80' ' ' THR . . . . . . . . . . . . . 98.0 m -101.98 120.95 41.23 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.223 177.251 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 6.8 mp . . . . . 0 C--O 1.199 -1.577 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.17 -178.41 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 50.3 t0 . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.754 0.312 . . . . 0.0 111.186 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 82.8 mtm180 -114.76 157.39 23.29 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.254 177.27 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 72.3 mt -115.9 149.59 38.44 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.206 179.75 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 42.4 tt0 -142.28 114.83 8.48 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.179 175.633 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 5.3 mp -121.82 115.48 46.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.198 -178.277 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 85.0 mt -102.88 120.8 53.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.219 -174.624 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 71.0 mt -102.85 117.84 48.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.23 -178.212 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -111.72 120.44 42.02 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.189 -178.349 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 41.2 tt0 -105.68 117.93 35.29 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.182 170.517 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 64.5 tt0 -75.16 132.77 41.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.182 172.893 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 83.9 mtp180 . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.239 -175.967 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 68.9 m-85 . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.842 0.353 . . . . 0.0 111.207 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.606 ' HB3' ' HD3' ' A' ' 41' ' ' PRO . 9.9 tt -57.5 -45.05 99.9 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.22 -175.071 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . 0.606 ' HD3' ' HB3' ' A' ' 40' ' ' LEU . 98.2 Cg_exo -52.44 -49.2 18.25 Favored 'Trans proline' 0 N--CA 1.458 -0.614 0 C-N-CA 121.731 1.621 . . . . 0.0 111.188 179.245 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 81.7 p -79.17 -27.88 42.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.179 -175.541 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 81.9 mt -71.75 -44.48 63.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.217 175.907 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 57.7 ttp180 -53.51 -51.09 63.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.239 178.351 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -47.89 -52.58 18.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.195 176.614 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . . . -78.6 -38.8 39.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.203 -171.501 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.458 HD22 HD22 ' B' ' 47' ' ' LEU . 90.5 mt -69.13 -37.78 78.5 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.165 -174.055 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 94.5 mtp -62.05 -40.43 95.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.195 177.009 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -61.47 -29.5 70.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.259 177.224 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 73.2 t -79.88 -41.09 21.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.218 175.899 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 88.5 mt -63.97 -35.2 79.9 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.222 -177.877 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 85.2 p -81.12 -18.65 45.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.216 -177.053 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -66.6 -48.33 69.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.202 -175.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 94.6 m-85 -88.86 3.21 52.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.202 -166.861 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 35.6 m -130.33 -3.0 2.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.163 176.615 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 87.0 m-20 57.32 61.1 2.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.146 174.784 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 29.0 m -127.49 168.01 21.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.196 173.853 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 85.3 p -77.97 167.71 21.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.166 172.545 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 99.0 mt -83.16 -13.2 56.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.178 174.828 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 97.7 m-20 -77.41 -35.2 54.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.157 174.809 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 96.6 m-20 -61.12 -33.67 73.75 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.204 175.182 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 91.9 mt -70.92 130.13 34.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.181 177.824 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 79.8 ttt180 -106.22 125.61 51.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.182 -173.732 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 49.2 pt -97.36 148.12 5.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.159 179.087 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 35.4 t -144.96 87.0 1.81 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.225 176.212 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 66.0 tt0 -77.24 131.3 38.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.168 179.754 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -136.48 140.7 43.26 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.183 -178.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -92.87 99.4 12.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.156 179.575 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 97.2 mm-40 -86.86 61.72 6.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.208 179.235 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 90.8 m-20 62.78 -102.7 0.11 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.228 178.729 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -92.52 9.77 75.31 Favored Glycine 0 CA--C 1.523 0.561 0 N-CA-C 111.164 -0.774 . . . . 0.0 111.164 -179.424 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 90.4 mtp -126.44 170.28 12.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.788 0.327 . . . . 0.0 111.208 174.006 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 65.0 t0 -142.49 118.17 10.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.195 176.483 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 23.8 m -115.81 164.23 12.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.179 -175.001 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 10.3 tt -151.56 121.03 6.87 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.192 175.27 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -91.17 135.67 33.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.166 -176.741 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 89.9 mt -112.44 119.3 37.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.162 176.267 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 71.5 m-80 -112.26 125.3 54.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.177 -179.909 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 4.5 mp -119.93 118.94 58.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.216 179.699 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 96.9 m -106.29 132.09 52.75 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.165 177.816 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 66.0 mt . . . . . 0 C--O 1.199 -1.579 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.211 -172.868 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 50.3 t0 . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.754 0.312 . . . . 0.0 111.186 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' B' B ' 21' ' ' ARG . . . . . . . . . . . . . 82.8 mtm180 -114.76 157.39 23.29 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.254 177.27 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 72.3 mt -115.9 149.59 38.44 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.206 179.75 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 42.4 tt0 -142.28 114.83 8.48 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.179 175.633 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 24' ' ' ILE . . . . . . . . . . . . . 5.3 mp -121.82 115.48 46.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.198 -178.277 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 25' ' ' ILE . . . . . . . . . . . . . 85.0 mt -102.88 120.8 53.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.219 -174.624 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 71.0 mt -102.85 117.84 48.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.23 -178.212 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -111.72 120.44 42.02 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.189 -178.349 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 28' ' ' GLN . . . . . . . . . . . . . 41.2 tt0 -105.68 117.93 35.29 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.182 170.517 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 64.5 tt0 -75.16 132.77 41.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.182 172.893 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 83.9 mtp180 . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.239 -175.967 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' B' B ' 39' ' ' TYR . . . . . . . . . . . . . 68.9 m-85 . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.842 0.353 . . . . 0.0 111.207 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' B' B ' 40' ' ' LEU . . . . . 0.605 ' HB3' ' HD3' ' B' ' 41' ' ' PRO . 9.9 tt -57.5 -45.05 99.9 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.22 -175.071 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 41' ' ' PRO . . . . . 0.605 ' HD3' ' HB3' ' B' ' 40' ' ' LEU . 98.2 Cg_exo -52.44 -49.2 18.25 Favored 'Trans proline' 0 N--CA 1.458 -0.614 0 C-N-CA 121.731 1.621 . . . . 0.0 111.188 179.245 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 81.7 p -79.17 -27.88 42.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.179 -175.541 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 81.9 mt -71.75 -44.48 63.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.217 175.907 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 44' ' ' ARG . . . . . . . . . . . . . 57.7 ttp180 -53.51 -51.09 63.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.239 178.351 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 45' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -47.89 -52.58 18.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.195 176.614 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . . . -78.6 -38.8 39.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.203 -171.501 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 47' ' ' LEU . . . . . 0.458 HD22 HD22 ' A' ' 47' ' ' LEU . 90.5 mt -69.13 -37.78 78.5 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.165 -174.055 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 48' ' ' MET . . . . . . . . . . . . . 94.5 mtp -62.05 -40.43 95.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.195 177.009 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -61.47 -29.5 70.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.259 177.224 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 50' ' ' VAL . . . . . . . . . . . . . 73.2 t -79.88 -41.09 21.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.218 175.899 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 88.5 mt -63.97 -35.2 79.9 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.222 -177.877 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 85.2 p -81.12 -18.65 45.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.216 -177.053 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -66.6 -48.33 69.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.202 -175.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 94.6 m-85 -88.86 3.21 52.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.202 -166.861 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 55' ' ' VAL . . . . . . . . . . . . . 35.6 m -130.33 -3.0 2.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.163 176.615 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 56' ' ' ASN . . . . . . . . . . . . . 87.0 m-20 57.32 61.1 2.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.146 174.784 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 29.0 m -127.49 168.01 21.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.196 173.853 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 58' ' ' SER . . . . . . . . . . . . . 85.3 p -77.97 167.71 21.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.166 172.545 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 99.0 mt -83.16 -13.2 56.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.178 174.828 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 97.7 m-20 -77.41 -35.2 54.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.157 174.809 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 61' ' ' ASN . . . . . . . . . . . . . 96.6 m-20 -61.12 -33.67 73.75 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.204 175.182 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 62' ' ' ILE . . . . . . . . . . . . . 91.9 mt -70.92 130.13 34.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.181 177.824 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 63' ' ' ARG . . . . . . . . . . . . . 79.8 ttt180 -106.22 125.61 51.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.182 -173.732 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 64' ' ' ILE . . . . . . . . . . . . . 49.2 pt -97.36 148.12 5.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.159 179.087 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 35.4 t -144.96 87.0 1.81 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.225 176.212 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 66.0 tt0 -77.24 131.3 38.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.168 179.754 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -136.48 140.7 43.26 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.183 -178.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 68' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -92.87 99.4 12.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.156 179.575 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 69' ' ' GLN . . . . . . . . . . . . . 97.2 mm-40 -86.86 61.72 6.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.208 179.235 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 90.8 m-20 62.78 -102.7 0.11 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.228 178.729 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 71' ' ' GLY . . . . . . . . . . . . . . . -92.52 9.77 75.31 Favored Glycine 0 CA--C 1.523 0.561 0 N-CA-C 111.164 -0.774 . . . . 0.0 111.164 -179.424 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 72' ' ' MET . . . . . . . . . . . . . 90.4 mtp -126.44 170.28 12.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.788 0.327 . . . . 0.0 111.208 174.006 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 73' ' ' ASP . . . . . . . . . . . . . 65.0 t0 -142.49 118.17 10.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.195 176.483 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 74' ' ' VAL . . . . . . . . . . . . . 23.8 m -115.81 164.23 12.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.179 -175.001 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 75' ' ' LEU . . . . . . . . . . . . . 10.3 tt -151.56 121.03 6.87 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.192 175.27 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -91.17 135.67 33.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.166 -176.741 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 89.9 mt -112.44 119.3 37.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.162 176.267 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 78' ' ' ASN . . . . . . . . . . . . . 71.5 m-80 -112.26 125.3 54.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.177 -179.909 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 79' ' ' ILE . . . . . . . . . . . . . 4.5 mp -119.93 118.94 58.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.216 179.699 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 80' ' ' THR . . . . . . . . . . . . . 96.9 m -106.29 132.09 52.75 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.165 177.816 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 66.0 mt . . . . . 0 C--O 1.199 -1.579 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.211 -172.868 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 46.8 t0 . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.78 0.324 . . . . 0.0 111.259 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 41.1 ptt180 -141.61 154.35 45.35 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.177 178.812 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 88.6 mt -109.31 137.73 46.74 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.217 177.822 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 66.9 tt0 -124.67 110.46 14.42 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.202 174.93 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.5 ' HB ' ' HB2' ' A' ' 77' ' ' LEU . 76.0 mt -113.0 115.46 49.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.196 -178.731 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 46.0 mm -109.78 117.39 54.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.232 -177.834 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 74.1 mt -108.44 106.46 20.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.209 -178.654 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -114.5 109.63 18.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.21 -172.488 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 66.7 tt0 -86.47 121.14 28.61 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.198 171.371 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.425 ' HG2' ' HG3' ' A' ' 30' ' ' ARG . 88.5 tt0 -110.27 129.03 55.81 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.183 -177.92 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.425 ' HG3' ' HG2' ' A' ' 29' ' ' GLU . 99.8 mtt180 . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.253 -179.491 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . 0.456 ' CD2' ' N ' ' A' ' 39' ' ' TYR . 1.8 p90 . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.836 0.351 . . . . 0.0 111.199 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.562 ' HB2' ' HD3' ' A' ' 41' ' ' PRO . 86.7 mt -91.12 -43.22 0.39 Allowed Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.227 177.869 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . 0.562 ' HD3' ' HB2' ' A' ' 40' ' ' LEU . 90.9 Cg_exo -51.56 -38.64 65.31 Favored 'Trans proline' 0 N--CA 1.458 -0.614 0 C-N-CA 121.705 1.603 . . . . 0.0 111.214 179.255 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 88.0 m -80.15 -40.19 27.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.191 177.305 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 62.5 tp -54.7 -42.46 71.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.253 178.708 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 85.9 mtm180 -66.43 -28.62 68.75 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.173 -177.636 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -82.25 -34.79 28.65 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.187 174.914 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . . . -72.9 -46.2 54.0 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.196 -177.38 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.432 HD13 HD13 ' B' ' 47' ' ' LEU . 45.3 tp -72.92 -50.05 25.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.212 -177.52 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 59.5 ttp -50.02 -45.19 51.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.193 176.785 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 89.2 tt0 -59.51 -52.49 65.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.206 -175.582 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 33.2 m -75.92 -26.6 17.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.23 -171.019 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.443 ' O ' HG22 ' A' ' 55' ' ' VAL . 62.4 mt -60.33 -45.33 93.8 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.178 174.233 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 61.0 p -64.42 -22.39 66.94 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.21 -178.143 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -82.62 -29.92 29.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.193 -179.491 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 18.6 m-30 -86.21 -35.16 20.21 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.161 -174.005 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.443 HG22 ' O ' ' A' ' 51' ' ' LEU . 11.2 m -99.96 0.06 10.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.207 -174.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 77.6 m-20 63.07 59.92 1.26 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.253 173.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 24.3 m -139.37 166.95 20.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.203 173.778 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 85.3 p -76.61 169.33 18.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.218 165.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 95.7 mt -71.18 -21.08 62.2 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.242 -179.868 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -67.62 -14.97 63.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.21 176.398 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 61.7 m-80 -94.32 15.46 17.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.206 179.028 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 91.9 mt -121.97 125.84 73.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.203 172.723 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 79.6 ttt180 -111.51 119.46 38.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.177 -178.556 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.41 HG12 ' HG ' ' A' ' 77' ' ' LEU . 76.3 mt -118.86 122.49 69.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.265 -176.909 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 40.4 t -123.57 133.01 54.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.169 179.232 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 66.3 tt0 -106.2 120.72 42.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.227 -178.869 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -102.65 121.59 42.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.169 175.187 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 99.7 mttt -100.26 113.69 26.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.19 -176.701 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 56.8 mm-40 -127.1 46.01 2.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.144 176.909 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 97.1 m-20 64.71 -97.28 0.05 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.196 178.676 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -81.22 -21.15 63.22 Favored Glycine 0 CA--C 1.523 0.535 0 N-CA-C 111.209 -0.756 . . . . 0.0 111.209 -177.692 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 54.0 tpp -101.69 131.57 47.87 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.744 0.307 . . . . 0.0 111.184 173.148 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 63.2 t0 -135.23 113.01 10.9 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.205 175.891 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 99.0 t -113.5 124.3 70.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.252 -172.037 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 53.3 mt -100.37 135.39 41.88 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.244 173.518 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 68.6 tt0 -111.78 114.05 26.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.18 174.39 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.5 ' HB2' ' HB ' ' A' ' 24' ' ' ILE . 5.9 mp -114.48 113.44 24.47 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.166 -177.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 78.3 m-20 -109.13 113.81 26.99 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.162 179.032 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 4.7 mp -117.79 123.95 72.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.201 -172.825 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 95.2 m -65.72 127.52 32.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.236 174.415 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 33.9 tp . . . . . 0 C--O 1.2 -1.552 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.175 173.674 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 46.8 t0 . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.78 0.324 . . . . 0.0 111.259 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' B' B ' 21' ' ' ARG . . . . . . . . . . . . . 41.1 ptt180 -141.61 154.35 45.35 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.177 178.812 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 22' ' ' LEU . . . . . 0.402 ' HB2' ' HB ' ' B' ' 79' ' ' ILE . 88.6 mt -109.31 137.73 46.74 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.217 177.822 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 66.9 tt0 -124.67 110.46 14.42 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.202 174.93 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 24' ' ' ILE . . . . . 0.5 ' HB ' ' HB2' ' B' ' 77' ' ' LEU . 76.0 mt -113.0 115.46 49.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.196 -178.731 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 25' ' ' ILE . . . . . . . . . . . . . 46.0 mm -109.78 117.39 54.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.232 -177.834 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 74.1 mt -108.44 106.46 20.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.209 -178.654 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -114.5 109.63 18.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.21 -172.488 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 28' ' ' GLN . . . . . . . . . . . . . 66.7 tt0 -86.47 121.14 28.61 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.198 171.371 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 29' ' ' GLU . . . . . 0.43 ' HG2' ' HG3' ' B' ' 30' ' ' ARG . 88.5 tt0 -110.27 129.03 55.81 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.183 -177.92 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 30' ' ' ARG . . . . . 0.43 ' HG3' ' HG2' ' B' ' 29' ' ' GLU . 99.8 mtt180 . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.253 -179.491 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 39' ' ' TYR . . . . . 0.451 ' N ' ' CD2' ' B' ' 39' ' ' TYR . 1.8 p90 . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.836 0.351 . . . . 0.0 111.199 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 40' ' ' LEU . . . . . 0.548 ' HB2' ' HD3' ' B' ' 41' ' ' PRO . 86.7 mt -91.12 -43.22 0.39 Allowed Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.227 177.869 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 41' ' ' PRO . . . . . 0.548 ' HD3' ' HB2' ' B' ' 40' ' ' LEU . 90.9 Cg_exo -51.56 -38.64 65.31 Favored 'Trans proline' 0 N--CA 1.458 -0.614 0 C-N-CA 121.705 1.603 . . . . 0.0 111.214 179.255 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 88.0 m -80.15 -40.19 27.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.191 177.305 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 62.5 tp -54.7 -42.46 71.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.253 178.708 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 44' ' ' ARG . . . . . . . . . . . . . 85.9 mtm180 -66.43 -28.62 68.75 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.173 -177.636 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 45' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -82.25 -34.79 28.65 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.187 174.914 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . . . -72.9 -46.2 54.0 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.196 -177.38 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 47' ' ' LEU . . . . . 0.432 HD13 HD13 ' A' ' 47' ' ' LEU . 45.3 tp -72.92 -50.05 25.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.212 -177.52 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 48' ' ' MET . . . . . . . . . . . . . 59.5 ttp -50.02 -45.19 51.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.193 176.785 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 89.2 tt0 -59.51 -52.49 65.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.206 -175.582 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 50' ' ' VAL . . . . . . . . . . . . . 33.2 m -75.92 -26.6 17.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.23 -171.019 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 51' ' ' LEU . . . . . 0.443 ' O ' HG22 ' B' ' 55' ' ' VAL . 62.4 mt -60.33 -45.33 93.8 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.178 174.233 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 61.0 p -64.42 -22.39 66.94 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.21 -178.143 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -82.62 -29.92 29.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.193 -179.491 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 18.6 m-30 -86.21 -35.16 20.21 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.161 -174.005 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 55' ' ' VAL . . . . . 0.443 HG22 ' O ' ' B' ' 51' ' ' LEU . 11.2 m -99.96 0.06 10.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.207 -174.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 56' ' ' ASN . . . . . . . . . . . . . 77.6 m-20 63.07 59.92 1.26 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.253 173.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 24.3 m -139.37 166.95 20.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.203 173.778 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 58' ' ' SER . . . . . . . . . . . . . 85.3 p -76.61 169.33 18.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.218 165.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 95.7 mt -71.18 -21.08 62.2 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.242 -179.868 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -67.62 -14.97 63.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.21 176.398 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 61' ' ' ASN . . . . . . . . . . . . . 61.7 m-80 -94.32 15.46 17.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.206 179.028 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 62' ' ' ILE . . . . . . . . . . . . . 91.9 mt -121.97 125.84 73.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.203 172.723 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 63' ' ' ARG . . . . . . . . . . . . . 79.6 ttt180 -111.51 119.46 38.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.177 -178.556 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 64' ' ' ILE . . . . . 0.405 HG12 ' HG ' ' B' ' 77' ' ' LEU . 76.3 mt -118.86 122.49 69.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.265 -176.909 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 40.4 t -123.57 133.01 54.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.169 179.232 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 66.3 tt0 -106.2 120.72 42.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.227 -178.869 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -102.65 121.59 42.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.169 175.187 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 68' ' ' LYS . . . . . . . . . . . . . 99.7 mttt -100.26 113.69 26.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.19 -176.701 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 69' ' ' GLN . . . . . . . . . . . . . 56.8 mm-40 -127.1 46.01 2.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.144 176.909 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 97.1 m-20 64.71 -97.28 0.05 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.196 178.676 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 71' ' ' GLY . . . . . . . . . . . . . . . -81.22 -21.15 63.22 Favored Glycine 0 CA--C 1.523 0.535 0 N-CA-C 111.209 -0.756 . . . . 0.0 111.209 -177.692 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 72' ' ' MET . . . . . . . . . . . . . 54.0 tpp -101.69 131.57 47.87 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.744 0.307 . . . . 0.0 111.184 173.148 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 73' ' ' ASP . . . . . . . . . . . . . 63.2 t0 -135.23 113.01 10.9 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.205 175.891 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 74' ' ' VAL . . . . . . . . . . . . . 99.0 t -113.5 124.3 70.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.252 -172.037 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 75' ' ' LEU . . . . . . . . . . . . . 53.3 mt -100.37 135.39 41.88 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.244 173.518 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 68.6 tt0 -111.78 114.05 26.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.18 174.39 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 77' ' ' LEU . . . . . 0.5 ' HB2' ' HB ' ' B' ' 24' ' ' ILE . 5.9 mp -114.48 113.44 24.47 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.166 -177.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 78' ' ' ASN . . . . . . . . . . . . . 78.3 m-20 -109.13 113.81 26.99 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.162 179.032 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 79' ' ' ILE . . . . . 0.402 ' HB ' ' HB2' ' B' ' 22' ' ' LEU . 4.7 mp -117.79 123.95 72.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.201 -172.825 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 80' ' ' THR . . . . . . . . . . . . . 95.2 m -65.72 127.52 32.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.236 174.415 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 33.9 tp . . . . . 0 C--O 1.2 -1.552 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.175 173.674 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.526 ' HA ' ' HB3' ' A' ' 81' ' ' LEU . 95.8 m-20 . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.763 0.316 . . . . 0.0 111.201 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 43.7 ttm180 -134.64 97.38 3.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.163 -178.606 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 83.4 mt -109.97 128.79 55.6 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.182 174.863 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 36.1 tt0 -122.68 127.59 49.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.217 -178.748 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 4.8 mp -117.92 122.13 69.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.15 179.33 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.47 ' HB ' ' HB ' ' B' ' 25' ' ' ILE . 85.3 mt -117.81 119.27 61.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.136 -179.637 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.422 ' HB ' ' HB3' ' A' ' 75' ' ' LEU . 38.8 mm -110.67 114.45 47.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.226 175.721 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -99.09 131.81 44.86 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.245 -178.061 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 97.2 mt-30 -131.98 86.19 2.31 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.189 179.498 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -69.9 156.4 39.13 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.203 -176.554 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.163 179.789 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 41.7 m-85 . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.804 0.335 . . . . 0.0 111.254 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.606 ' N ' ' CD ' ' A' ' 41' ' ' PRO . 94.8 mt -70.58 -39.51 9.53 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.208 -178.206 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . 0.606 ' CD ' ' N ' ' A' ' 40' ' ' LEU . 87.4 Cg_exo -52.44 -36.35 69.31 Favored 'Trans proline' 0 N--CA 1.458 -0.577 0 C-N-CA 121.769 1.646 . . . . 0.0 111.159 177.609 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 96.9 m -71.32 -43.11 67.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.23 -178.708 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 79.3 mt -61.19 -41.46 96.85 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.197 177.242 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 84.8 mtm180 -65.9 -39.99 91.12 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.222 -179.156 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -66.2 -41.45 90.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.199 175.892 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . . . -61.89 -42.68 99.36 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.204 178.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 84.0 mt -63.4 -33.55 75.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.197 -179.813 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 93.8 mmm -69.51 -27.52 65.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.142 176.334 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 99.8 mt-10 -83.55 -39.38 20.48 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.201 175.503 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 72.3 t -77.93 -82.0 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.14 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.469 ' O ' HG22 ' A' ' 55' ' ' VAL . 87.6 mt -73.34 -44.75 58.24 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.168 -163.254 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 38.0 t -55.64 -40.44 72.2 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.124 -176.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -77.05 -22.61 52.67 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.218 178.835 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 4.5 m-30 -76.77 -29.09 55.93 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.149 179.021 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.469 HG22 ' O ' ' A' ' 51' ' ' LEU . 31.7 m -113.82 -8.65 12.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.185 -175.932 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 85.0 m-20 62.59 60.49 1.34 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.24 179.443 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.427 HG23 HG23 ' A' ' 55' ' ' VAL . 64.3 t -126.72 137.01 59.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.225 177.103 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 69.6 p -79.04 162.08 26.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.246 -174.897 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 35.2 tp -59.4 -32.2 69.95 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.252 175.923 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -68.43 -31.62 71.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.191 179.346 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 67.2 m-80 -92.56 18.56 8.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.275 176.614 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 95.2 mt -121.91 130.24 74.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.205 171.913 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 79.7 ttt180 -97.18 122.69 40.47 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.213 -177.174 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 79.2 mt -123.62 121.89 63.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.205 -178.076 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 93.8 p -148.25 162.04 40.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.185 178.093 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 84.9 mt-30 -125.71 152.35 45.42 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.175 178.501 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -135.9 127.0 27.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.223 -177.438 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -105.04 120.86 42.53 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.19 178.095 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 65.2 mm-40 -127.95 116.52 20.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.183 177.159 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 86.8 m-20 62.53 -100.99 0.1 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.186 -175.905 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -128.77 30.92 3.65 Favored Glycine 0 CA--C 1.523 0.568 0 N-CA-C 111.242 -0.743 . . . . 0.0 111.242 173.357 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 67.1 ttp -119.89 129.27 54.29 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.829 0.347 . . . . 0.0 111.166 -178.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 92.9 m-20 -101.04 132.19 46.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.162 176.738 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 86.6 t -120.4 130.29 74.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.179 179.71 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.422 ' HB3' ' HB ' ' A' ' 26' ' ' ILE . 52.3 tp -105.34 126.09 51.72 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.192 172.311 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 74.1 tt0 -121.33 123.9 43.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.21 -178.176 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 4.8 mp -119.88 136.97 54.29 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.211 172.47 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 71.3 m-80 -126.24 110.86 13.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.186 177.234 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 75.9 mt -98.9 115.23 38.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.172 -177.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 98.1 m -107.9 126.25 52.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.247 -174.296 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.526 ' HB3' ' HA ' ' A' ' 20' ' ' ASP . 54.8 tp . . . . . 0 C--O 1.201 -1.488 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.213 178.015 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 20' ' ' ASP . . . . . 0.515 ' HA ' ' HB3' ' B' ' 81' ' ' LEU . 95.8 m-20 . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.763 0.316 . . . . 0.0 111.201 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 21' ' ' ARG . . . . . . . . . . . . . 43.7 ttm180 -134.64 97.38 3.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.163 -178.606 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 83.4 mt -109.97 128.79 55.6 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.182 174.863 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 36.1 tt0 -122.68 127.59 49.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.217 -178.748 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 24' ' ' ILE . . . . . . . . . . . . . 4.8 mp -117.92 122.13 69.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.15 179.33 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 25' ' ' ILE . . . . . 0.47 ' HB ' ' HB ' ' A' ' 25' ' ' ILE . 85.3 mt -117.81 119.27 61.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.136 -179.637 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 26' ' ' ILE . . . . . 0.431 ' HB ' ' HB3' ' B' ' 75' ' ' LEU . 38.8 mm -110.67 114.45 47.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.226 175.721 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -99.09 131.81 44.86 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.245 -178.061 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 28' ' ' GLN . . . . . . . . . . . . . 97.2 mt-30 -131.98 86.19 2.31 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.189 179.498 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -69.9 156.4 39.13 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.203 -176.554 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.163 179.789 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' B' B ' 39' ' ' TYR . . . . . . . . . . . . . 41.7 m-85 . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.804 0.335 . . . . 0.0 111.254 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' B' B ' 40' ' ' LEU . . . . . 0.611 ' N ' ' CD ' ' B' ' 41' ' ' PRO . 94.8 mt -70.58 -39.51 9.53 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.208 -178.206 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 41' ' ' PRO . . . . . 0.611 ' CD ' ' N ' ' B' ' 40' ' ' LEU . 87.4 Cg_exo -52.44 -36.35 69.31 Favored 'Trans proline' 0 N--CA 1.458 -0.577 0 C-N-CA 121.769 1.646 . . . . 0.0 111.159 177.609 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 96.9 m -71.32 -43.11 67.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.23 -178.708 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 79.3 mt -61.19 -41.46 96.85 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.197 177.242 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 44' ' ' ARG . . . . . . . . . . . . . 84.8 mtm180 -65.9 -39.99 91.12 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.222 -179.156 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 45' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -66.2 -41.45 90.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.199 175.892 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . . . -61.89 -42.68 99.36 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.204 178.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 84.0 mt -63.4 -33.55 75.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.197 -179.813 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 48' ' ' MET . . . . . . . . . . . . . 93.8 mmm -69.51 -27.52 65.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.142 176.334 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 99.8 mt-10 -83.55 -39.38 20.48 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.201 175.503 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 50' ' ' VAL . . . . . . . . . . . . . 72.3 t -77.93 -82.0 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.14 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 51' ' ' LEU . . . . . 0.455 ' O ' HG22 ' B' ' 55' ' ' VAL . 87.6 mt -73.34 -44.75 58.24 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.168 -163.254 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 52' ' ' SER . . . . . 0.428 ' OG ' ' O ' ' B' ' 57' ' ' VAL . 38.0 t -55.64 -40.44 72.2 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.124 -176.939 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -77.05 -22.61 52.67 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.218 178.835 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 54' ' ' TYR . . . . . 0.412 ' HD1' ' HA ' ' B' ' 54' ' ' TYR . 4.5 m-30 -76.77 -29.09 55.93 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.149 179.021 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 55' ' ' VAL . . . . . 0.455 HG22 ' O ' ' B' ' 51' ' ' LEU . 31.7 m -113.82 -8.65 12.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.185 -175.932 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 56' ' ' ASN . . . . . . . . . . . . . 85.0 m-20 62.59 60.49 1.34 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.24 179.443 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 57' ' ' VAL . . . . . 0.428 ' O ' ' OG ' ' B' ' 52' ' ' SER . 64.3 t -126.72 137.01 59.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.225 177.103 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 58' ' ' SER . . . . . . . . . . . . . 69.6 p -79.04 162.08 26.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.246 -174.897 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 35.2 tp -59.4 -32.2 69.95 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.252 175.923 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -68.43 -31.62 71.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.191 179.346 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 61' ' ' ASN . . . . . . . . . . . . . 67.2 m-80 -92.56 18.56 8.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.275 176.614 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 62' ' ' ILE . . . . . . . . . . . . . 95.2 mt -121.91 130.24 74.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.205 171.913 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 63' ' ' ARG . . . . . . . . . . . . . 79.7 ttt180 -97.18 122.69 40.47 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.213 -177.174 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 64' ' ' ILE . . . . . . . . . . . . . 79.2 mt -123.62 121.89 63.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.205 -178.076 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 93.8 p -148.25 162.04 40.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.185 178.093 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 84.9 mt-30 -125.71 152.35 45.42 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.175 178.501 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -135.9 127.0 27.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.223 -177.438 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 68' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -105.04 120.86 42.53 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.19 178.095 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 69' ' ' GLN . . . . . . . . . . . . . 65.2 mm-40 -127.95 116.52 20.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.183 177.159 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 86.8 m-20 62.53 -100.99 0.1 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.186 -175.905 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 71' ' ' GLY . . . . . . . . . . . . . . . -128.77 30.92 3.65 Favored Glycine 0 CA--C 1.523 0.568 0 N-CA-C 111.242 -0.743 . . . . 0.0 111.242 173.357 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 72' ' ' MET . . . . . . . . . . . . . 67.1 ttp -119.89 129.27 54.29 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.829 0.347 . . . . 0.0 111.166 -178.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 73' ' ' ASP . . . . . . . . . . . . . 92.9 m-20 -101.04 132.19 46.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.162 176.738 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 74' ' ' VAL . . . . . . . . . . . . . 86.6 t -120.4 130.29 74.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.179 179.71 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 75' ' ' LEU . . . . . 0.431 ' HB3' ' HB ' ' B' ' 26' ' ' ILE . 52.3 tp -105.34 126.09 51.72 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.192 172.311 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 74.1 tt0 -121.33 123.9 43.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.21 -178.176 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 4.8 mp -119.88 136.97 54.29 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.211 172.47 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 78' ' ' ASN . . . . . . . . . . . . . 71.3 m-80 -126.24 110.86 13.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.186 177.234 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 79' ' ' ILE . . . . . . . . . . . . . 75.9 mt -98.9 115.23 38.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.172 -177.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 80' ' ' THR . . . . . . . . . . . . . 98.1 m -107.9 126.25 52.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.247 -174.296 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 81' ' ' LEU . . . . . 0.515 ' HB3' ' HA ' ' B' ' 20' ' ' ASP . 54.8 tp . . . . . 0 C--O 1.201 -1.488 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.213 178.015 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 97.7 m-20 . . . . . 0 CA--C 1.523 -0.089 0 CA-C-O 120.833 0.349 . . . . 0.0 111.26 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 88.7 mtm180 -130.53 144.79 51.64 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.25 -168.433 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 39.0 tp -139.5 132.21 29.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.204 176.865 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 41.7 tt0 -126.16 130.28 50.69 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.216 -179.257 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 88.3 mt -120.04 127.34 75.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.25 179.226 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 83.5 mt -116.95 117.35 55.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.247 -178.669 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 82.5 mt -110.06 107.01 21.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.177 178.606 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -103.66 93.5 4.95 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.225 -173.088 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 50.4 tp60 -91.33 113.65 25.97 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.167 -179.575 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 75.5 tt0 -63.84 127.77 32.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.206 176.294 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 82.8 mtp180 . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.191 -175.679 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 24.0 m-85 . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.834 0.35 . . . . 0.0 111.137 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.601 ' N ' ' CD ' ' A' ' 41' ' ' PRO . 88.2 mt -67.65 -40.76 26.69 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.197 170.188 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . 0.601 ' CD ' ' N ' ' A' ' 40' ' ' LEU . 78.1 Cg_exo -54.89 -31.91 75.39 Favored 'Trans proline' 0 N--CA 1.458 -0.615 0 C-N-CA 121.703 1.602 . . . . 0.0 111.218 173.757 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 96.9 m -70.28 -40.52 74.27 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.223 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 96.0 mt -62.45 -34.94 77.78 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.223 174.134 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -66.09 -39.97 90.44 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.187 175.549 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -73.46 -34.4 65.37 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.184 178.633 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . . . -60.42 -49.36 77.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.197 175.569 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 84.7 mt -67.3 -36.95 82.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.197 177.336 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 62.4 ttp -52.02 -52.38 51.2 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.262 177.821 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 99.7 mt-10 -70.07 -37.48 75.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.195 -175.197 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 74.2 t -75.29 -49.04 29.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.138 -177.891 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.449 ' HA ' ' HB3' ' A' ' 54' ' ' TYR . 85.9 mt -65.51 -31.67 72.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.207 -174.09 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 39.0 t -55.1 -45.32 75.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.185 179.864 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -84.72 -28.72 26.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.164 179.208 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . 0.449 ' HB3' ' HA ' ' A' ' 51' ' ' LEU . 84.5 t80 -67.58 -47.76 68.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.17 179.585 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.469 ' O ' HG12 ' A' ' 55' ' ' VAL . 99.6 t -93.56 -10.92 9.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.195 178.935 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 63.8 t30 63.38 47.76 3.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.189 -178.224 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 35.6 m -139.65 166.19 21.36 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.248 176.873 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 60.5 p -85.36 179.25 7.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.216 176.449 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 52.1 tp -62.72 -22.68 66.71 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.223 178.042 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 98.2 m-20 -65.1 -20.55 66.52 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.207 -175.727 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 68.3 m-80 -98.1 15.45 24.19 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.22 179.557 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 87.7 mt -119.16 124.66 73.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.193 177.608 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 75.5 ttt180 -119.64 121.73 39.95 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.19 177.209 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 84.5 mt -120.94 132.27 70.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.22 -173.74 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 48.4 t -152.06 143.28 23.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.225 175.825 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 24.7 pt20 -125.53 154.35 42.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.184 -171.927 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 87.6 tt0 -151.03 133.55 15.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.126 175.037 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -98.99 115.44 28.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.187 -178.185 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 68.6 mm-40 -133.76 144.51 49.1 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.168 177.228 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 78.6 m-20 60.53 26.42 16.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.21 179.796 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 75.09 32.01 56.9 Favored Glycine 0 CA--C 1.522 0.506 0 N-CA-C 111.187 -0.765 . . . . 0.0 111.187 178.516 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 59.7 ttm -142.62 117.88 10.17 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.787 0.327 . . . . 0.0 111.184 -178.567 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 66.2 t0 -85.93 111.89 20.67 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.24 -176.863 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 97.5 t -106.85 124.31 62.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.202 -172.892 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.4 HD12 ' N ' ' A' ' 75' ' ' LEU . 8.3 mp -102.47 127.9 49.31 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.185 179.821 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 65.1 tt0 -113.4 120.4 40.93 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.182 -179.376 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.489 ' C ' HD23 ' A' ' 77' ' ' LEU . 9.7 tt -114.94 121.02 41.88 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.189 178.181 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 73.3 m-80 -113.24 120.92 42.86 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.196 178.275 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 19.1 tt -129.7 136.9 58.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.166 -178.041 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 85.1 m -131.35 139.07 49.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.215 -174.306 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 50.7 tp . . . . . 0 C--O 1.2 -1.526 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.278 178.65 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 97.7 m-20 . . . . . 0 CA--C 1.523 -0.089 0 CA-C-O 120.833 0.349 . . . . 0.0 111.26 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' B' B ' 21' ' ' ARG . . . . . . . . . . . . . 88.7 mtm180 -130.53 144.79 51.64 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.25 -168.433 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 39.0 tp -139.5 132.21 29.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.204 176.865 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 41.7 tt0 -126.16 130.28 50.69 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.216 -179.257 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 24' ' ' ILE . . . . . . . . . . . . . 88.3 mt -120.04 127.34 75.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.25 179.226 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 25' ' ' ILE . . . . . . . . . . . . . 83.5 mt -116.95 117.35 55.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.247 -178.669 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 82.5 mt -110.06 107.01 21.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.177 178.606 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -103.66 93.5 4.95 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.225 -173.088 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 28' ' ' GLN . . . . . . . . . . . . . 50.4 tp60 -91.33 113.65 25.97 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.167 -179.575 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 75.5 tt0 -63.84 127.77 32.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.206 176.294 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 82.8 mtp180 . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.191 -175.679 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' B' B ' 39' ' ' TYR . . . . . . . . . . . . . 24.0 m-85 . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.834 0.35 . . . . 0.0 111.137 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' B' B ' 40' ' ' LEU . . . . . 0.59 ' N ' ' CD ' ' B' ' 41' ' ' PRO . 88.2 mt -67.65 -40.76 26.69 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.197 170.188 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 41' ' ' PRO . . . . . 0.59 ' CD ' ' N ' ' B' ' 40' ' ' LEU . 78.1 Cg_exo -54.89 -31.91 75.39 Favored 'Trans proline' 0 N--CA 1.458 -0.615 0 C-N-CA 121.703 1.602 . . . . 0.0 111.218 173.757 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 96.9 m -70.28 -40.52 74.27 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.223 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 96.0 mt -62.45 -34.94 77.78 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.223 174.134 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 44' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -66.09 -39.97 90.44 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.187 175.549 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 45' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -73.46 -34.4 65.37 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.184 178.633 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . . . -60.42 -49.36 77.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.197 175.569 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 84.7 mt -67.3 -36.95 82.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.197 177.336 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 48' ' ' MET . . . . . . . . . . . . . 62.4 ttp -52.02 -52.38 51.2 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.262 177.821 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 99.7 mt-10 -70.07 -37.48 75.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.195 -175.197 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 50' ' ' VAL . . . . . . . . . . . . . 74.2 t -75.29 -49.04 29.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.138 -177.891 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 51' ' ' LEU . . . . . 0.451 ' HA ' ' HB3' ' B' ' 54' ' ' TYR . 85.9 mt -65.51 -31.67 72.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.207 -174.09 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 39.0 t -55.1 -45.32 75.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.185 179.864 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -84.72 -28.72 26.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.164 179.208 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 54' ' ' TYR . . . . . 0.451 ' HB3' ' HA ' ' B' ' 51' ' ' LEU . 84.5 t80 -67.58 -47.76 68.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.17 179.585 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 55' ' ' VAL . . . . . 0.463 ' O ' HG12 ' B' ' 55' ' ' VAL . 99.6 t -93.56 -10.92 9.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.195 178.935 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 56' ' ' ASN . . . . . . . . . . . . . 63.8 t30 63.38 47.76 3.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.189 -178.224 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 35.6 m -139.65 166.19 21.36 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.248 176.873 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 58' ' ' SER . . . . . . . . . . . . . 60.5 p -85.36 179.25 7.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.216 176.449 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 52.1 tp -62.72 -22.68 66.71 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.223 178.042 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 98.2 m-20 -65.1 -20.55 66.52 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.207 -175.727 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 61' ' ' ASN . . . . . . . . . . . . . 68.3 m-80 -98.1 15.45 24.19 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.22 179.557 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 62' ' ' ILE . . . . . . . . . . . . . 87.7 mt -119.16 124.66 73.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.193 177.608 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 63' ' ' ARG . . . . . . . . . . . . . 75.5 ttt180 -119.64 121.73 39.95 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.19 177.209 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 64' ' ' ILE . . . . . . . . . . . . . 84.5 mt -120.94 132.27 70.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.22 -173.74 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 48.4 t -152.06 143.28 23.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.225 175.825 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 24.7 pt20 -125.53 154.35 42.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.184 -171.927 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 87.6 tt0 -151.03 133.55 15.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.126 175.037 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 68' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -98.99 115.44 28.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.187 -178.185 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 69' ' ' GLN . . . . . . . . . . . . . 68.6 mm-40 -133.76 144.51 49.1 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.168 177.228 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 78.6 m-20 60.53 26.42 16.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.21 179.796 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 71' ' ' GLY . . . . . . . . . . . . . . . 75.09 32.01 56.9 Favored Glycine 0 CA--C 1.522 0.506 0 N-CA-C 111.187 -0.765 . . . . 0.0 111.187 178.516 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 72' ' ' MET . . . . . . . . . . . . . 59.7 ttm -142.62 117.88 10.17 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.787 0.327 . . . . 0.0 111.184 -178.567 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 73' ' ' ASP . . . . . . . . . . . . . 66.2 t0 -85.93 111.89 20.67 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.24 -176.863 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 74' ' ' VAL . . . . . . . . . . . . . 97.5 t -106.85 124.31 62.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.202 -172.892 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 75' ' ' LEU . . . . . 0.408 ' N ' HD12 ' B' ' 75' ' ' LEU . 8.3 mp -102.47 127.9 49.31 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.185 179.821 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 65.1 tt0 -113.4 120.4 40.93 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.182 -179.376 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 77' ' ' LEU . . . . . 0.474 ' C ' HD23 ' B' ' 77' ' ' LEU . 9.7 tt -114.94 121.02 41.88 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.189 178.181 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 78' ' ' ASN . . . . . . . . . . . . . 73.3 m-80 -113.24 120.92 42.86 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.196 178.275 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 79' ' ' ILE . . . . . . . . . . . . . 19.1 tt -129.7 136.9 58.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.166 -178.041 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 80' ' ' THR . . . . . . . . . . . . . 85.1 m -131.35 139.07 49.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.215 -174.306 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 50.7 tp . . . . . 0 C--O 1.2 -1.526 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.278 178.65 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 97.7 m-20 . . . . . 0 C--O 1.23 0.078 0 CA-C-O 120.776 0.322 . . . . 0.0 111.191 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 83.1 mtt85 -139.0 146.33 40.76 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.226 -173.556 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 9.3 tt -139.68 138.62 36.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.182 174.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 47.3 tt0 -134.88 136.88 42.73 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.207 -176.635 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.443 ' HB ' ' HB3' ' A' ' 77' ' ' LEU . 79.8 mt -122.19 123.58 69.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.183 177.086 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 82.1 mt -122.11 115.98 47.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.174 178.652 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 70.8 mt -128.39 130.51 69.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.23 -177.77 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -137.6 151.54 48.44 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.172 -179.257 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 33.0 tt0 -140.51 130.06 24.12 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.167 176.675 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.408 ' HA ' ' HB3' ' A' ' 72' ' ' MET . 86.2 tt0 -64.73 120.57 12.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.203 174.347 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 73.7 mtp180 . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.159 -171.439 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 13.8 p90 . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.769 0.319 . . . . 0.0 111.169 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.572 ' N ' ' CD ' ' A' ' 41' ' ' PRO . 85.3 mt -75.32 -41.36 3.81 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.202 -173.819 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . 0.572 ' CD ' ' N ' ' A' ' 40' ' ' LEU . 99.1 Cg_exo -51.57 -40.09 64.37 Favored 'Trans proline' 0 N--CA 1.458 -0.6 0 C-N-CA 121.742 1.628 . . . . 0.0 111.199 178.105 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 98.7 m -73.77 -48.03 34.59 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.237 179.111 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 88.6 mt -64.49 -38.2 90.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.144 -178.117 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 59.8 ttp180 -52.98 -60.61 3.06 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.184 175.467 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -61.65 -37.69 84.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.206 -179.757 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . . . -67.03 -51.24 57.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.203 -178.363 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 89.4 mt -67.95 -38.07 82.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.169 -176.051 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 95.5 mtp -68.27 -34.23 75.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.212 177.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -64.88 -43.86 91.54 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.161 174.25 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 53.7 t -65.0 -45.59 94.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.19 178.638 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 88.5 mt -68.41 -32.85 73.19 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.204 179.865 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 46.6 t -57.97 -42.22 84.58 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.205 175.89 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -86.26 -26.13 25.16 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.18 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 17.2 t80 -64.25 -49.29 72.48 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.168 -176.561 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 19.3 m -122.43 15.44 5.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.19 -178.911 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 86.9 m-20 59.64 62.29 1.77 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.212 170.054 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 35.4 m -132.54 162.74 39.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.223 179.644 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 54.1 p -82.04 178.86 8.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.152 177.776 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 92.4 mt -79.1 -11.35 59.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.165 177.382 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 91.2 m-20 -86.99 -3.69 59.11 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.17 175.711 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 32.8 m120 -96.4 8.97 42.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.222 177.227 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 87.1 mt -128.62 134.3 64.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.237 -179.75 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 79.4 ttt180 -103.63 120.31 40.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.257 -177.208 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 49.8 mm -109.35 124.59 66.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.217 -179.631 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 45.8 t -121.53 93.82 4.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.148 175.323 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 61.7 tt0 -98.41 129.93 45.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.194 -179.378 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 25.4 pt-20 -154.66 164.95 37.99 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.21 179.641 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -105.11 109.92 22.1 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.194 177.221 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 72.7 tp60 -88.0 103.07 15.36 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.177 176.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 74.2 m-20 55.39 -112.58 0.72 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.203 -179.32 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -104.6 30.92 9.23 Favored Glycine 0 CA--C 1.523 0.552 0 N-CA-C 111.212 -0.755 . . . . 0.0 111.212 -175.907 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . 0.408 ' HB3' ' HA ' ' A' ' 29' ' ' GLU . 25.6 ptp -152.85 162.05 41.78 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.829 0.347 . . . . 0.0 111.209 177.428 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 79.2 m-20 -107.24 147.27 30.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.207 178.764 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 9.5 p -146.22 141.09 21.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.254 -178.234 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 10.2 tt -131.28 130.78 43.24 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.233 178.885 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 58.9 tt0 -108.71 124.6 50.8 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.254 178.409 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.526 ' C ' HD23 ' A' ' 77' ' ' LEU . 8.8 tt -115.23 118.63 33.83 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.186 -179.273 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 76.3 m-20 -114.91 128.79 56.49 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.255 179.63 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 18.5 tt -135.08 141.55 42.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.207 177.796 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 97.4 m -99.62 129.59 45.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.202 178.619 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 7.2 mp . . . . . 0 C--O 1.199 -1.565 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.172 -177.58 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 97.7 m-20 . . . . . 0 C--O 1.23 0.078 0 CA-C-O 120.776 0.322 . . . . 0.0 111.191 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' B' B ' 21' ' ' ARG . . . . . . . . . . . . . 83.1 mtt85 -139.0 146.33 40.76 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.226 -173.556 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 9.3 tt -139.68 138.62 36.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.182 174.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 47.3 tt0 -134.88 136.88 42.73 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.207 -176.635 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 24' ' ' ILE . . . . . 0.432 ' HB ' ' HB3' ' B' ' 77' ' ' LEU . 79.8 mt -122.19 123.58 69.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.183 177.086 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 25' ' ' ILE . . . . . . . . . . . . . 82.1 mt -122.11 115.98 47.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.174 178.652 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 70.8 mt -128.39 130.51 69.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.23 -177.77 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -137.6 151.54 48.44 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.172 -179.257 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 28' ' ' GLN . . . . . . . . . . . . . 33.0 tt0 -140.51 130.06 24.12 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.167 176.675 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 29' ' ' GLU . . . . . 0.405 ' HA ' ' HB3' ' B' ' 72' ' ' MET . 86.2 tt0 -64.73 120.57 12.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.203 174.347 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 73.7 mtp180 . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.159 -171.439 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' B' B ' 39' ' ' TYR . . . . . . . . . . . . . 13.8 p90 . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.769 0.319 . . . . 0.0 111.169 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' B' B ' 40' ' ' LEU . . . . . 0.578 ' N ' ' CD ' ' B' ' 41' ' ' PRO . 85.3 mt -75.32 -41.36 3.81 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.202 -173.819 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 41' ' ' PRO . . . . . 0.578 ' CD ' ' N ' ' B' ' 40' ' ' LEU . 99.1 Cg_exo -51.57 -40.09 64.37 Favored 'Trans proline' 0 N--CA 1.458 -0.6 0 C-N-CA 121.742 1.628 . . . . 0.0 111.199 178.105 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 98.7 m -73.77 -48.03 34.59 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.237 179.111 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 88.6 mt -64.49 -38.2 90.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.144 -178.117 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 44' ' ' ARG . . . . . . . . . . . . . 59.8 ttp180 -52.98 -60.61 3.06 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.184 175.467 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 45' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -61.65 -37.69 84.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.206 -179.757 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . . . -67.03 -51.24 57.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.203 -178.363 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 89.4 mt -67.95 -38.07 82.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.169 -176.051 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 48' ' ' MET . . . . . . . . . . . . . 95.5 mtp -68.27 -34.23 75.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.212 177.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -64.88 -43.86 91.54 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.161 174.25 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 50' ' ' VAL . . . . . . . . . . . . . 53.7 t -65.0 -45.59 94.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.19 178.638 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 88.5 mt -68.41 -32.85 73.19 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.204 179.865 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 46.6 t -57.97 -42.22 84.58 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.205 175.89 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -86.26 -26.13 25.16 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.18 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 17.2 t80 -64.25 -49.29 72.48 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.168 -176.561 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 55' ' ' VAL . . . . . . . . . . . . . 19.3 m -122.43 15.44 5.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.19 -178.911 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 56' ' ' ASN . . . . . . . . . . . . . 86.9 m-20 59.64 62.29 1.77 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.212 170.054 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 35.4 m -132.54 162.74 39.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.223 179.644 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 58' ' ' SER . . . . . . . . . . . . . 54.1 p -82.04 178.86 8.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.152 177.776 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 92.4 mt -79.1 -11.35 59.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.165 177.382 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 91.2 m-20 -86.99 -3.69 59.11 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.17 175.711 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 61' ' ' ASN . . . . . . . . . . . . . 32.8 m120 -96.4 8.97 42.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.222 177.227 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 62' ' ' ILE . . . . . . . . . . . . . 87.1 mt -128.62 134.3 64.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.237 -179.75 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 63' ' ' ARG . . . . . . . . . . . . . 79.4 ttt180 -103.63 120.31 40.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.257 -177.208 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 64' ' ' ILE . . . . . . . . . . . . . 49.8 mm -109.35 124.59 66.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.217 -179.631 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 45.8 t -121.53 93.82 4.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.148 175.323 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 61.7 tt0 -98.41 129.93 45.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.194 -179.378 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 25.4 pt-20 -154.66 164.95 37.99 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.21 179.641 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 68' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -105.11 109.92 22.1 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.194 177.221 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 69' ' ' GLN . . . . . . . . . . . . . 72.7 tp60 -88.0 103.07 15.36 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.177 176.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 74.2 m-20 55.39 -112.58 0.72 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.203 -179.32 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 71' ' ' GLY . . . . . . . . . . . . . . . -104.6 30.92 9.23 Favored Glycine 0 CA--C 1.523 0.552 0 N-CA-C 111.212 -0.755 . . . . 0.0 111.212 -175.907 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 72' ' ' MET . . . . . 0.405 ' HB3' ' HA ' ' B' ' 29' ' ' GLU . 25.6 ptp -152.85 162.05 41.78 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.829 0.347 . . . . 0.0 111.209 177.428 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 73' ' ' ASP . . . . . . . . . . . . . 79.2 m-20 -107.24 147.27 30.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.207 178.764 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 74' ' ' VAL . . . . . . . . . . . . . 9.5 p -146.22 141.09 21.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.254 -178.234 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 75' ' ' LEU . . . . . . . . . . . . . 10.2 tt -131.28 130.78 43.24 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.233 178.885 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 58.9 tt0 -108.71 124.6 50.8 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.254 178.409 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 77' ' ' LEU . . . . . 0.514 ' C ' HD23 ' B' ' 77' ' ' LEU . 8.8 tt -115.23 118.63 33.83 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.186 -179.273 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 78' ' ' ASN . . . . . . . . . . . . . 76.3 m-20 -114.91 128.79 56.49 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.255 179.63 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 79' ' ' ILE . . . . . . . . . . . . . 18.5 tt -135.08 141.55 42.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.207 177.796 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 80' ' ' THR . . . . . . . . . . . . . 97.4 m -99.62 129.59 45.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.202 178.619 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 7.2 mp . . . . . 0 C--O 1.199 -1.565 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.172 -177.58 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 95.5 m-20 . . . . . 0 C--O 1.23 0.074 0 CA-C-O 120.849 0.357 . . . . 0.0 111.183 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 18.0 ptp180 -157.17 165.11 36.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.169 -174.296 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 81.5 mt -98.82 144.21 28.3 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.249 172.388 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 32.6 tt0 -128.77 117.88 21.86 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.243 179.818 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.409 HG22 HG13 ' A' ' 26' ' ' ILE . 4.8 mp -118.07 123.71 72.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.184 178.782 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 80.5 mt -112.54 109.93 30.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.202 177.56 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.409 HG13 HG22 ' A' ' 24' ' ' ILE . 85.6 mt -109.93 114.42 46.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.2 -176.809 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -107.65 125.84 51.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.156 -178.784 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 40.9 tt0 -109.35 110.02 21.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.241 170.893 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 65.2 mt-10 -69.65 159.22 33.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.206 -174.919 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 79.4 ttt180 . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.182 -175.191 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 29.1 m-85 . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.796 0.331 . . . . 0.0 111.235 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.582 ' HB3' ' HD3' ' A' ' 41' ' ' PRO . 10.1 tt -53.08 -44.91 98.24 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.222 -177.904 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . 0.582 ' HD3' ' HB3' ' A' ' 40' ' ' LEU . 78.9 Cg_exo -50.4 -42.39 48.43 Favored 'Trans proline' 0 N--CA 1.458 -0.579 0 C-N-CA 121.671 1.58 . . . . 0.0 111.217 178.506 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 77.4 p -83.57 -26.76 29.78 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.212 -176.234 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 95.2 mt -73.21 -30.8 63.76 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.187 177.089 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 69.8 ttp85 -62.44 -60.71 3.15 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.179 173.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -58.19 -39.26 78.48 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.205 -178.081 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . . . -67.36 -43.18 82.12 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.195 -179.8 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 51.0 tp -66.52 -41.76 88.32 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.195 178.262 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 94.6 mtp -59.93 -33.52 71.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.218 177.798 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -61.68 -46.98 87.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.217 176.709 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 29.4 m -87.44 -17.7 8.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.202 -174.678 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.464 ' O ' ' HB ' ' A' ' 55' ' ' VAL . 34.0 mt -64.49 -51.53 62.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.199 167.882 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 33.1 t -60.93 -34.9 75.42 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.163 175.605 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 83.7 tttt -71.02 -54.7 10.28 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.207 -173.898 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 47.1 m-85 -90.76 -33.42 15.74 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.184 -166.322 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.501 ' O ' HG12 ' A' ' 55' ' ' VAL . 94.5 t -81.91 -9.38 11.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.179 -172.347 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 76.9 m-20 62.28 61.68 1.26 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.233 -175.66 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 10.6 p -151.42 149.47 14.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.209 -171.461 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 59.5 p -87.01 170.75 11.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.223 179.674 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 97.0 mt -76.93 -23.13 52.45 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.156 -179.665 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 98.0 m-20 -68.89 -17.51 63.99 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.212 177.377 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 48.3 m-80 -96.72 13.11 29.54 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.195 179.703 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 77.0 mt -108.93 118.29 56.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.184 175.633 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 79.8 ttt180 -96.52 127.57 42.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.146 178.86 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 81.1 mt -114.79 116.53 52.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.214 -175.888 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 43.5 t -142.58 126.82 17.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.158 175.604 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 42.9 mt-30 -103.85 156.64 17.67 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.224 -179.225 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 71.2 tt0 -136.53 128.24 28.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.162 178.785 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -84.51 127.57 34.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.22 -179.275 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 79.2 mm-40 -127.79 76.18 1.66 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.176 172.794 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 93.2 m-20 63.41 -100.67 0.09 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.234 -178.488 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -108.69 9.58 34.88 Favored Glycine 0 CA--C 1.523 0.587 0 N-CA-C 111.19 -0.764 . . . . 0.0 111.19 -178.431 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 65.8 ttp -111.32 120.96 43.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.844 0.354 . . . . 0.0 111.194 178.451 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 62.2 t0 -94.72 113.79 25.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.166 178.888 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 95.9 t -105.58 126.85 60.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.187 -174.73 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 48.5 tp -108.82 126.75 53.37 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.241 176.453 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 67.4 tt0 -110.25 118.3 35.97 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.162 175.419 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 85.7 mt -113.39 126.88 55.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.219 177.425 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 72.6 m-80 -120.41 113.31 20.15 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.207 177.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 5.2 mp -118.82 128.07 75.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.204 -170.9 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 91.4 m -53.6 118.4 3.87 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.219 178.023 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 54.4 tp . . . . . 0 C--O 1.199 -1.555 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.201 -176.91 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 95.5 m-20 . . . . . 0 C--O 1.23 0.074 0 CA-C-O 120.849 0.357 . . . . 0.0 111.183 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' B' B ' 21' ' ' ARG . . . . . . . . . . . . . 18.0 ptp180 -157.17 165.11 36.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.169 -174.296 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 81.5 mt -98.82 144.21 28.3 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.249 172.388 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 32.6 tt0 -128.77 117.88 21.86 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.243 179.818 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 24' ' ' ILE . . . . . 0.4 HG22 HG13 ' B' ' 26' ' ' ILE . 4.8 mp -118.07 123.71 72.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.184 178.782 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 25' ' ' ILE . . . . . . . . . . . . . 80.5 mt -112.54 109.93 30.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.202 177.56 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 26' ' ' ILE . . . . . 0.4 HG13 HG22 ' B' ' 24' ' ' ILE . 85.6 mt -109.93 114.42 46.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.2 -176.809 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -107.65 125.84 51.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.156 -178.784 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 28' ' ' GLN . . . . . . . . . . . . . 40.9 tt0 -109.35 110.02 21.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.241 170.893 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 65.2 mt-10 -69.65 159.22 33.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.206 -174.919 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 79.4 ttt180 . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.182 -175.191 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' B' B ' 39' ' ' TYR . . . . . . . . . . . . . 29.1 m-85 . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.796 0.331 . . . . 0.0 111.235 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' B' B ' 40' ' ' LEU . . . . . 0.573 ' HB3' ' HD3' ' B' ' 41' ' ' PRO . 10.1 tt -53.08 -44.91 98.24 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.222 -177.904 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 41' ' ' PRO . . . . . 0.573 ' HD3' ' HB3' ' B' ' 40' ' ' LEU . 78.9 Cg_exo -50.4 -42.39 48.43 Favored 'Trans proline' 0 N--CA 1.458 -0.579 0 C-N-CA 121.671 1.58 . . . . 0.0 111.217 178.506 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 77.4 p -83.57 -26.76 29.78 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.212 -176.234 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 95.2 mt -73.21 -30.8 63.76 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.187 177.089 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 44' ' ' ARG . . . . . . . . . . . . . 69.8 ttp85 -62.44 -60.71 3.15 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.179 173.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 45' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -58.19 -39.26 78.48 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.205 -178.081 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . . . -67.36 -43.18 82.12 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.195 -179.8 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 51.0 tp -66.52 -41.76 88.32 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.195 178.262 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 48' ' ' MET . . . . . . . . . . . . . 94.6 mtp -59.93 -33.52 71.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.218 177.798 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -61.68 -46.98 87.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.217 176.709 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 50' ' ' VAL . . . . . . . . . . . . . 29.4 m -87.44 -17.7 8.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.202 -174.678 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 51' ' ' LEU . . . . . 0.466 ' O ' ' HB ' ' B' ' 55' ' ' VAL . 34.0 mt -64.49 -51.53 62.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.199 167.882 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 33.1 t -60.93 -34.9 75.42 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.163 175.605 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 83.7 tttt -71.02 -54.7 10.28 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.207 -173.898 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 47.1 m-85 -90.76 -33.42 15.74 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.184 -166.322 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 55' ' ' VAL . . . . . 0.494 ' O ' HG12 ' B' ' 55' ' ' VAL . 94.5 t -81.91 -9.38 11.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.179 -172.347 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 56' ' ' ASN . . . . . . . . . . . . . 76.9 m-20 62.28 61.68 1.26 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.233 -175.66 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 10.6 p -151.42 149.47 14.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.209 -171.461 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 58' ' ' SER . . . . . . . . . . . . . 59.5 p -87.01 170.75 11.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.223 179.674 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 97.0 mt -76.93 -23.13 52.45 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.156 -179.665 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 98.0 m-20 -68.89 -17.51 63.99 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.212 177.377 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 61' ' ' ASN . . . . . . . . . . . . . 48.3 m-80 -96.72 13.11 29.54 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.195 179.703 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 62' ' ' ILE . . . . . . . . . . . . . 77.0 mt -108.93 118.29 56.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.184 175.633 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 63' ' ' ARG . . . . . . . . . . . . . 79.8 ttt180 -96.52 127.57 42.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.146 178.86 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 64' ' ' ILE . . . . . . . . . . . . . 81.1 mt -114.79 116.53 52.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.214 -175.888 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 43.5 t -142.58 126.82 17.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.158 175.604 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 42.9 mt-30 -103.85 156.64 17.67 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.224 -179.225 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 71.2 tt0 -136.53 128.24 28.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.162 178.785 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 68' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -84.51 127.57 34.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.22 -179.275 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 69' ' ' GLN . . . . . . . . . . . . . 79.2 mm-40 -127.79 76.18 1.66 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.176 172.794 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 93.2 m-20 63.41 -100.67 0.09 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.234 -178.488 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 71' ' ' GLY . . . . . . . . . . . . . . . -108.69 9.58 34.88 Favored Glycine 0 CA--C 1.523 0.587 0 N-CA-C 111.19 -0.764 . . . . 0.0 111.19 -178.431 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 72' ' ' MET . . . . . . . . . . . . . 65.8 ttp -111.32 120.96 43.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.844 0.354 . . . . 0.0 111.194 178.451 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 73' ' ' ASP . . . . . . . . . . . . . 62.2 t0 -94.72 113.79 25.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.166 178.888 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 74' ' ' VAL . . . . . . . . . . . . . 95.9 t -105.58 126.85 60.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.187 -174.73 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 75' ' ' LEU . . . . . . . . . . . . . 48.5 tp -108.82 126.75 53.37 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.241 176.453 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 67.4 tt0 -110.25 118.3 35.97 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.162 175.419 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 85.7 mt -113.39 126.88 55.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.219 177.425 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 78' ' ' ASN . . . . . . . . . . . . . 72.6 m-80 -120.41 113.31 20.15 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.207 177.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 79' ' ' ILE . . . . . . . . . . . . . 5.2 mp -118.82 128.07 75.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.204 -170.9 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 80' ' ' THR . . . . . . . . . . . . . 91.4 m -53.6 118.4 3.87 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.219 178.023 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 54.4 tp . . . . . 0 C--O 1.199 -1.555 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.201 -176.91 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 65.5 t0 . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.816 0.341 . . . . 0.0 111.24 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 82.9 mtm180 -136.65 157.46 46.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.165 179.859 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 62.1 mt -117.76 145.92 44.15 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.227 178.025 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 36.2 tt0 -141.17 117.71 10.88 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.159 179.904 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 4.9 mp -120.69 118.94 58.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.198 -179.58 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 87.0 mt -109.49 121.78 63.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.196 -178.559 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 80.2 mt -107.31 114.32 45.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.214 -178.072 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -103.48 138.59 39.99 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.204 -177.718 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 86.9 mt-30 -125.1 121.64 34.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.19 175.481 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 95.5 mt-10 -81.53 163.57 22.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.182 177.596 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 47.0 mtp180 . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.16 -174.336 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 62.9 m-85 . . . . . 0 C--O 1.23 0.061 0 CA-C-O 120.779 0.323 . . . . 0.0 111.244 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.563 ' N ' ' CD ' ' A' ' 41' ' ' PRO . 43.3 tp -68.23 -41.52 25.78 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.224 -178.069 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . 0.563 ' CD ' ' N ' ' A' ' 40' ' ' LEU . 92.7 Cg_exo -51.67 -35.25 56.81 Favored 'Trans proline' 0 N--CA 1.459 -0.533 0 C-N-CA 121.628 1.552 . . . . 0.0 111.188 177.609 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 92.5 m -80.02 -41.91 24.83 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.231 -177.851 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 79.4 mt -61.87 -37.36 84.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.186 176.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 68.3 ttp85 -59.53 -50.67 72.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.183 174.35 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -63.49 -35.16 79.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.259 177.818 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . . . -62.43 -47.57 83.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.181 179.819 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 88.8 mt -69.45 -50.87 41.51 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.189 -179.568 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 98.0 mtp -58.52 -34.39 70.92 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.173 -175.038 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 89.1 tt0 -61.48 -53.34 57.73 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.17 178.417 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 33.3 m -82.34 -28.71 9.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.226 -170.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 84.7 mt -66.67 -40.15 88.47 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.221 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 92.0 p -66.71 -23.21 66.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.223 179.578 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -83.03 -27.38 30.37 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.207 178.859 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 22.4 m-30 -69.37 -37.83 77.76 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.205 -176.742 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 35.6 m -119.52 3.54 6.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.289 -175.377 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 86.9 m-20 58.02 61.56 2.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.204 173.763 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 32.3 m -131.32 167.66 25.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.193 175.814 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 84.7 p -74.41 169.14 18.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.138 172.416 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 96.8 mt -74.86 -15.91 60.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.26 179.795 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -71.41 -12.24 61.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.226 175.701 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 61.7 m-80 -95.19 17.05 14.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.203 178.492 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 85.9 mt -118.35 129.01 75.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.203 174.915 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . 0.409 ' HB3' ' HB2' ' A' ' 78' ' ' ASN . 79.7 ttt180 -96.19 124.69 40.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.146 -177.733 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 46.0 mm -109.98 102.94 14.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.156 -178.082 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 39.2 t -110.89 111.84 23.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.208 -175.541 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 68.9 tp60 -101.26 122.29 43.42 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.206 179.087 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -127.89 147.97 50.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.161 176.908 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -113.93 102.89 10.63 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.174 -177.386 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 96.0 mm-40 -88.88 59.92 5.26 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.14 178.074 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 90.5 m-20 63.1 -102.8 0.11 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.212 178.716 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -87.44 1.17 85.82 Favored Glycine 0 CA--C 1.522 0.528 0 N-CA-C 111.2 -0.76 . . . . 0.0 111.2 -175.702 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 68.1 ttp -131.42 130.36 42.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.773 0.32 . . . . 0.0 111.208 174.355 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 97.9 m-20 -105.44 138.04 42.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.218 174.099 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 34.8 m -124.65 147.53 29.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.173 -177.126 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 53.6 tp -131.41 115.79 16.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.219 177.614 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -102.0 122.9 44.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.177 -175.339 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 6.0 mp -112.46 112.37 23.87 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.244 -179.152 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' ASN . . . . . 0.409 ' HB2' ' HB3' ' A' ' 63' ' ' ARG . 72.7 m-80 -106.46 135.3 48.21 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.204 -179.371 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 21.6 tt -140.7 145.09 26.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.198 174.146 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 95.8 m -118.45 132.78 56.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.198 -171.258 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 55.1 tp . . . . . 0 C--O 1.199 -1.568 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.213 175.836 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 65.5 t0 . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.816 0.341 . . . . 0.0 111.24 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' B' B ' 21' ' ' ARG . . . . . . . . . . . . . 82.9 mtm180 -136.65 157.46 46.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.165 179.859 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 62.1 mt -117.76 145.92 44.15 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.227 178.025 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 36.2 tt0 -141.17 117.71 10.88 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.159 179.904 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 24' ' ' ILE . . . . . 0.402 HD13 HD11 ' B' ' 51' ' ' LEU . 4.9 mp -120.69 118.94 58.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.198 -179.58 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 25' ' ' ILE . . . . . . . . . . . . . 87.0 mt -109.49 121.78 63.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.196 -178.559 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 80.2 mt -107.31 114.32 45.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.214 -178.072 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -103.48 138.59 39.99 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.204 -177.718 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 28' ' ' GLN . . . . . . . . . . . . . 86.9 mt-30 -125.1 121.64 34.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.19 175.481 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 95.5 mt-10 -81.53 163.57 22.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.182 177.596 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 47.0 mtp180 . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.16 -174.336 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' B' B ' 39' ' ' TYR . . . . . . . . . . . . . 62.9 m-85 . . . . . 0 C--O 1.23 0.061 0 CA-C-O 120.779 0.323 . . . . 0.0 111.244 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' B' B ' 40' ' ' LEU . . . . . 0.576 ' N ' ' CD ' ' B' ' 41' ' ' PRO . 43.3 tp -68.23 -41.52 25.78 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.224 -178.069 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 41' ' ' PRO . . . . . 0.576 ' CD ' ' N ' ' B' ' 40' ' ' LEU . 92.7 Cg_exo -51.67 -35.25 56.81 Favored 'Trans proline' 0 N--CA 1.459 -0.533 0 C-N-CA 121.628 1.552 . . . . 0.0 111.188 177.609 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 92.5 m -80.02 -41.91 24.83 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.231 -177.851 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 79.4 mt -61.87 -37.36 84.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.186 176.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 44' ' ' ARG . . . . . . . . . . . . . 68.3 ttp85 -59.53 -50.67 72.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.183 174.35 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 45' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -63.49 -35.16 79.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.259 177.818 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . . . -62.43 -47.57 83.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.181 179.819 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 88.8 mt -69.45 -50.87 41.51 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.189 -179.568 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 48' ' ' MET . . . . . . . . . . . . . 98.0 mtp -58.52 -34.39 70.92 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.173 -175.038 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 89.1 tt0 -61.48 -53.34 57.73 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.17 178.417 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 50' ' ' VAL . . . . . . . . . . . . . 33.3 m -82.34 -28.71 9.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.226 -170.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 51' ' ' LEU . . . . . 0.402 HD11 HD13 ' B' ' 24' ' ' ILE . 84.7 mt -66.67 -40.15 88.47 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.221 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 92.0 p -66.71 -23.21 66.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.223 179.578 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -83.03 -27.38 30.37 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.207 178.859 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 22.4 m-30 -69.37 -37.83 77.76 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.205 -176.742 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 55' ' ' VAL . . . . . . . . . . . . . 35.6 m -119.52 3.54 6.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.289 -175.377 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 56' ' ' ASN . . . . . . . . . . . . . 86.9 m-20 58.02 61.56 2.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.204 173.763 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 32.3 m -131.32 167.66 25.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.193 175.814 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 58' ' ' SER . . . . . . . . . . . . . 84.7 p -74.41 169.14 18.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.138 172.416 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 96.8 mt -74.86 -15.91 60.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.26 179.795 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -71.41 -12.24 61.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.226 175.701 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 61' ' ' ASN . . . . . . . . . . . . . 61.7 m-80 -95.19 17.05 14.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.203 178.492 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 62' ' ' ILE . . . . . . . . . . . . . 85.9 mt -118.35 129.01 75.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.203 174.915 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 63' ' ' ARG . . . . . 0.41 ' HB3' ' HB2' ' B' ' 78' ' ' ASN . 79.7 ttt180 -96.19 124.69 40.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.146 -177.733 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 64' ' ' ILE . . . . . . . . . . . . . 46.0 mm -109.98 102.94 14.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.156 -178.082 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 39.2 t -110.89 111.84 23.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.208 -175.541 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 68.9 tp60 -101.26 122.29 43.42 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.206 179.087 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -127.89 147.97 50.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.161 176.908 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 68' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -113.93 102.89 10.63 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.174 -177.386 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 69' ' ' GLN . . . . . . . . . . . . . 96.0 mm-40 -88.88 59.92 5.26 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.14 178.074 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 90.5 m-20 63.1 -102.8 0.11 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.212 178.716 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 71' ' ' GLY . . . . . . . . . . . . . . . -87.44 1.17 85.82 Favored Glycine 0 CA--C 1.522 0.528 0 N-CA-C 111.2 -0.76 . . . . 0.0 111.2 -175.702 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 72' ' ' MET . . . . . . . . . . . . . 68.1 ttp -131.42 130.36 42.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.773 0.32 . . . . 0.0 111.208 174.355 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 73' ' ' ASP . . . . . . . . . . . . . 97.9 m-20 -105.44 138.04 42.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.218 174.099 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 74' ' ' VAL . . . . . . . . . . . . . 34.8 m -124.65 147.53 29.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.173 -177.126 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 75' ' ' LEU . . . . . . . . . . . . . 53.6 tp -131.41 115.79 16.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.219 177.614 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -102.0 122.9 44.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.177 -175.339 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 6.0 mp -112.46 112.37 23.87 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.244 -179.152 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 78' ' ' ASN . . . . . 0.41 ' HB2' ' HB3' ' B' ' 63' ' ' ARG . 72.7 m-80 -106.46 135.3 48.21 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.204 -179.371 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 79' ' ' ILE . . . . . . . . . . . . . 21.6 tt -140.7 145.09 26.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.198 174.146 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 80' ' ' THR . . . . . . . . . . . . . 95.8 m -118.45 132.78 56.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.198 -171.258 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 55.1 tp . . . . . 0 C--O 1.199 -1.568 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.213 175.836 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 61.4 t0 . . . . . 0 N--CA 1.457 -0.093 0 CA-C-O 120.781 0.324 . . . . 0.0 111.198 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 85.3 mtp180 -124.24 141.87 51.71 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.189 -176.589 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 5.2 mp -120.09 143.5 48.1 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.205 -179.091 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 92.9 mm-40 -119.94 128.13 53.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.215 171.901 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.495 ' HB ' ' HB2' ' A' ' 77' ' ' LEU . 68.8 mt -114.54 108.36 25.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.17 171.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 43.9 mm -100.4 114.63 39.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.222 -179.288 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 36.0 mm -104.09 100.05 9.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.159 178.43 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -109.17 109.82 20.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.269 -176.638 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 66.3 tt0 -103.43 101.63 11.53 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.214 178.194 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -93.48 133.34 36.86 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.219 -173.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.215 -174.298 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 61.1 t80 . . . . . 0 C--O 1.232 0.144 0 CA-C-O 120.769 0.319 . . . . 0.0 111.197 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.58 ' N ' ' CD ' ' A' ' 41' ' ' PRO . 85.6 mt -68.27 -40.57 21.27 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.203 178.772 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . 0.58 ' CD ' ' N ' ' A' ' 40' ' ' LEU . 74.6 Cg_exo -50.77 -33.36 40.31 Favored 'Trans proline' 0 N--CA 1.458 -0.607 0 C-N-CA 121.7 1.6 . . . . 0.0 111.192 179.207 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 82.7 p -87.71 -26.62 22.86 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.19 -175.822 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 97.1 mt -75.39 -31.64 60.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.173 171.9 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 81.1 mtp180 -65.18 -43.13 92.67 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.216 173.893 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -69.72 -31.43 69.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.223 175.294 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . . . -64.54 -48.87 73.46 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.138 176.505 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 90.7 mt -61.31 -35.79 78.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.248 177.696 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 60.1 ttp -59.0 -49.76 76.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.239 175.298 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -66.68 -40.05 88.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.259 -177.887 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 53.0 t -63.37 -51.2 73.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.148 177.764 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 80.9 mt -62.97 -35.94 81.82 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.156 -179.148 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 68.2 m -73.98 -34.06 64.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.142 179.425 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 83.0 tttt -74.25 -61.99 1.67 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.203 -177.276 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 89.6 m-85 -83.14 -40.04 20.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.205 -163.795 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 34.7 m -118.72 9.78 6.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.214 -171.597 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 87.4 m-20 56.21 50.07 14.17 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.178 167.177 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.411 HG11 HG23 ' A' ' 79' ' ' ILE . 71.4 t -109.89 140.05 30.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.232 175.213 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 83.0 p -89.95 162.58 15.34 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.161 -175.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 39.4 tp -61.56 -30.06 70.41 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.178 174.473 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -68.18 -37.41 80.92 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.198 177.443 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 94.6 m-20 -77.49 -3.71 41.87 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.183 178.31 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 70.3 mt -108.91 117.03 53.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.166 177.236 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 79.4 ttt180 -109.84 117.22 33.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.191 175.741 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.411 HG12 ' HG ' ' A' ' 77' ' ' LEU . 86.6 mt -105.55 117.62 51.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.157 -176.309 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 39.9 t -111.34 116.53 31.14 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.261 178.049 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 66.2 tt0 -91.18 116.2 28.63 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.222 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -115.71 140.42 49.21 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.155 179.62 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -102.79 112.98 26.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.185 -179.671 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . 0.554 ' O ' ' HB3' ' A' ' 70' ' ' ASP . 99.6 mm-40 -108.31 47.71 0.89 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.16 174.003 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . 0.554 ' HB3' ' O ' ' A' ' 69' ' ' GLN . 51.7 t0 84.52 -97.31 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.176 177.491 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -99.29 -6.46 55.4 Favored Glycine 0 CA--C 1.523 0.578 0 N-CA-C 111.196 -0.762 . . . . 0.0 111.196 175.069 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . 0.406 ' HB3' ' HB2' ' A' ' 69' ' ' GLN . 56.5 ttm -101.19 115.53 30.7 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.809 0.338 . . . . 0.0 111.165 176.768 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 53.9 t0 -99.92 115.67 30.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.167 176.119 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 96.7 t -108.93 124.59 65.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.188 -173.465 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 56.0 mt -107.63 115.17 29.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.217 174.367 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -98.7 115.07 27.9 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.229 -179.183 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.495 ' HB2' ' HB ' ' A' ' 24' ' ' ILE . 9.1 mp -97.36 110.58 23.1 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.204 175.344 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 51.9 t30 -92.69 102.41 14.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.192 174.238 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.411 HG23 HG11 ' A' ' 57' ' ' VAL . 74.7 mt -109.35 119.56 58.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.167 -166.938 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 97.6 m -94.75 113.99 25.83 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.19 170.854 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 53.8 tp . . . . . 0 C--O 1.2 -1.509 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.242 -178.585 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 61.4 t0 . . . . . 0 N--CA 1.457 -0.093 0 CA-C-O 120.781 0.324 . . . . 0.0 111.198 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' B' B ' 21' ' ' ARG . . . . . . . . . . . . . 85.3 mtp180 -124.24 141.87 51.71 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.189 -176.589 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 5.2 mp -120.09 143.5 48.1 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.205 -179.091 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 92.9 mm-40 -119.94 128.13 53.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.215 171.901 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 24' ' ' ILE . . . . . 0.493 ' HB ' ' HB2' ' B' ' 77' ' ' LEU . 68.8 mt -114.54 108.36 25.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.17 171.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 25' ' ' ILE . . . . . . . . . . . . . 43.9 mm -100.4 114.63 39.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.222 -179.288 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 36.0 mm -104.09 100.05 9.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.159 178.43 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -109.17 109.82 20.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.269 -176.638 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 28' ' ' GLN . . . . . . . . . . . . . 66.3 tt0 -103.43 101.63 11.53 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.214 178.194 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -93.48 133.34 36.86 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.219 -173.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.215 -174.298 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' B' B ' 39' ' ' TYR . . . . . . . . . . . . . 61.1 t80 . . . . . 0 C--O 1.232 0.144 0 CA-C-O 120.769 0.319 . . . . 0.0 111.197 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' B' B ' 40' ' ' LEU . . . . . 0.563 ' N ' ' CD ' ' B' ' 41' ' ' PRO . 85.6 mt -68.27 -40.57 21.27 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.203 178.772 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 41' ' ' PRO . . . . . 0.563 ' CD ' ' N ' ' B' ' 40' ' ' LEU . 74.6 Cg_exo -50.77 -33.36 40.31 Favored 'Trans proline' 0 N--CA 1.458 -0.607 0 C-N-CA 121.7 1.6 . . . . 0.0 111.192 179.207 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 82.7 p -87.71 -26.62 22.86 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.19 -175.822 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 97.1 mt -75.39 -31.64 60.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.173 171.9 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 44' ' ' ARG . . . . . . . . . . . . . 81.1 mtp180 -65.18 -43.13 92.67 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.216 173.893 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 45' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -69.72 -31.43 69.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.223 175.294 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . . . -64.54 -48.87 73.46 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.138 176.505 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 90.7 mt -61.31 -35.79 78.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.248 177.696 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 48' ' ' MET . . . . . . . . . . . . . 60.1 ttp -59.0 -49.76 76.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.239 175.298 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -66.68 -40.05 88.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.259 -177.887 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 50' ' ' VAL . . . . . . . . . . . . . 53.0 t -63.37 -51.2 73.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.148 177.764 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 80.9 mt -62.97 -35.94 81.82 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.156 -179.148 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 68.2 m -73.98 -34.06 64.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.142 179.425 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 83.0 tttt -74.25 -61.99 1.67 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.203 -177.276 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 89.6 m-85 -83.14 -40.04 20.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.205 -163.795 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 55' ' ' VAL . . . . . . . . . . . . . 34.7 m -118.72 9.78 6.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.214 -171.597 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 56' ' ' ASN . . . . . . . . . . . . . 87.4 m-20 56.21 50.07 14.17 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.178 167.177 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 57' ' ' VAL . . . . . 0.42 HG11 HG23 ' B' ' 79' ' ' ILE . 71.4 t -109.89 140.05 30.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.232 175.213 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 58' ' ' SER . . . . . . . . . . . . . 83.0 p -89.95 162.58 15.34 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.161 -175.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 39.4 tp -61.56 -30.06 70.41 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.178 174.473 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -68.18 -37.41 80.92 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.198 177.443 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 61' ' ' ASN . . . . . . . . . . . . . 94.6 m-20 -77.49 -3.71 41.87 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.183 178.31 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 62' ' ' ILE . . . . . . . . . . . . . 70.3 mt -108.91 117.03 53.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.166 177.236 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 63' ' ' ARG . . . . . . . . . . . . . 79.4 ttt180 -109.84 117.22 33.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.191 175.741 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 64' ' ' ILE . . . . . 0.413 HG12 ' HG ' ' B' ' 77' ' ' LEU . 86.6 mt -105.55 117.62 51.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.157 -176.309 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 39.9 t -111.34 116.53 31.14 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.261 178.049 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 66.2 tt0 -91.18 116.2 28.63 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.222 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -115.71 140.42 49.21 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.155 179.62 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 68' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -102.79 112.98 26.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.185 -179.671 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 69' ' ' GLN . . . . . 0.549 ' O ' ' HB3' ' B' ' 70' ' ' ASP . 99.6 mm-40 -108.31 47.71 0.89 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.16 174.003 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 70' ' ' ASP . . . . . 0.549 ' HB3' ' O ' ' B' ' 69' ' ' GLN . 51.7 t0 84.52 -97.31 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.176 177.491 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 71' ' ' GLY . . . . . . . . . . . . . . . -99.29 -6.46 55.4 Favored Glycine 0 CA--C 1.523 0.578 0 N-CA-C 111.196 -0.762 . . . . 0.0 111.196 175.069 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 72' ' ' MET . . . . . 0.423 ' HB3' ' HB2' ' B' ' 69' ' ' GLN . 56.5 ttm -101.19 115.53 30.7 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.809 0.338 . . . . 0.0 111.165 176.768 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 73' ' ' ASP . . . . . . . . . . . . . 53.9 t0 -99.92 115.67 30.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.167 176.119 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 74' ' ' VAL . . . . . . . . . . . . . 96.7 t -108.93 124.59 65.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.188 -173.465 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 75' ' ' LEU . . . . . . . . . . . . . 56.0 mt -107.63 115.17 29.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.217 174.367 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -98.7 115.07 27.9 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.229 -179.183 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 77' ' ' LEU . . . . . 0.493 ' HB2' ' HB ' ' B' ' 24' ' ' ILE . 9.1 mp -97.36 110.58 23.1 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.204 175.344 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 78' ' ' ASN . . . . . . . . . . . . . 51.9 t30 -92.69 102.41 14.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.192 174.238 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 79' ' ' ILE . . . . . 0.42 HG23 HG11 ' B' ' 57' ' ' VAL . 74.7 mt -109.35 119.56 58.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.167 -166.938 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 80' ' ' THR . . . . . . . . . . . . . 97.6 m -94.75 113.99 25.83 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.19 170.854 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 53.8 tp . . . . . 0 C--O 1.2 -1.509 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.242 -178.585 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 53.1 p . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.842 0.353 . . . . 0.0 111.176 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 76.9 t -58.99 -39.13 77.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.243 176.753 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.78 -43.94 97.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.175 176.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -73.38 -23.28 60.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.184 -178.022 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 92.6 m-20 -66.13 163.65 17.16 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.216 178.849 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 72.3 ttt180 -96.68 124.33 40.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.196 -179.86 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 55.8 tp -112.65 113.82 26.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.146 -179.107 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 46.3 tt0 -117.87 125.41 50.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.168 -178.446 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 69.9 mt -131.18 119.14 43.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.203 -178.105 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 89.6 mt -116.26 123.78 71.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.19 -177.299 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 4.8 mp -111.51 120.1 61.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.21 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -120.19 125.75 48.96 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.185 -175.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.407 ' O ' ' HA ' ' A' ' 72' ' ' MET . 58.3 tt0 -108.23 102.33 11.47 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.22 171.772 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.404 ' HG2' ' HG3' ' A' ' 30' ' ' ARG . 86.2 tt0 -88.27 134.37 33.82 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.22 -172.532 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.404 ' HG3' ' HG2' ' A' ' 29' ' ' GLU . 99.5 mtt180 61.71 58.74 1.93 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.234 -176.162 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -77.26 123.46 26.49 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.182 -169.898 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 72.8 tp60 -67.12 116.69 8.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.187 176.294 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 99.5 mt-10 -82.49 -18.63 40.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.206 -176.031 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -73.3 -23.05 78.18 Favored Glycine 0 CA--C 1.523 0.585 0 N-CA-C 111.193 -0.763 . . . . 0.0 111.193 175.509 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 99.3 mm-40 -106.94 171.49 7.34 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.793 0.33 . . . . 0.0 111.264 177.888 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 92.7 m -126.96 124.08 23.82 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.157 179.882 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 86.5 Cg_exo -52.24 112.15 0.8 Allowed 'Trans proline' 0 N--CA 1.459 -0.538 0 C-N-CA 121.738 1.625 . . . . 0.0 111.155 176.603 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 54.9 p-10 -103.64 28.22 6.75 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.226 177.596 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 40.3 p90 -125.7 -24.13 3.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.197 -177.331 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.571 ' N ' ' CD ' ' A' ' 41' ' ' PRO . 78.1 mt -70.27 -42.08 15.28 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.175 -177.822 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . 0.571 ' CD ' ' N ' ' A' ' 40' ' ' LEU . 95.2 Cg_exo -51.1 -38.37 59.92 Favored 'Trans proline' 0 N--CA 1.457 -0.627 0 C-N-CA 121.759 1.639 . . . . 0.0 111.204 177.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 96.0 m -72.4 -42.47 65.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.153 177.422 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.422 ' O ' ' HG ' ' A' ' 47' ' ' LEU . 79.7 mt -62.86 -35.25 79.37 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.187 178.168 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 98.6 mtt180 -57.92 -45.86 85.87 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.23 177.454 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -66.78 -32.88 74.45 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.181 174.237 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . . . -70.22 -31.93 69.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.209 -176.776 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.422 ' HG ' ' O ' ' A' ' 43' ' ' LEU . 79.3 mt -95.06 -32.72 12.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.24 -174.408 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 99.1 mtp -83.37 -51.23 7.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.233 -178.37 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 99.5 mt-10 -93.63 -50.85 5.2 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.186 -170.783 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 73.6 t -71.13 -53.12 22.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.279 -167.14 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 68.3 mt -64.77 -36.69 85.13 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.243 -179.767 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 36.6 t -53.35 -40.19 64.72 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.224 -179.832 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -69.75 -24.47 63.54 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.243 -177.48 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 20.2 m-85 -82.73 -31.69 28.31 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.234 -176.919 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 35.7 m -109.08 -6.83 11.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.15 -177.692 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 87.2 m-20 56.85 47.3 18.19 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.171 178.748 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 83.8 t -119.22 137.28 53.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.188 -179.691 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 83.6 p -77.76 159.21 29.21 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.236 -174.248 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 93.7 mt -67.69 -18.24 64.85 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.201 177.609 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -70.7 -35.61 72.85 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.187 172.254 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 90.0 m-20 -91.52 7.18 42.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.187 178.794 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.427 HG12 HG12 ' A' ' 79' ' ' ILE . 97.4 mt -113.69 127.58 70.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.178 176.095 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 79.7 ttt180 -102.41 123.11 45.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.221 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 91.6 mt -126.17 125.27 67.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.168 178.286 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 43.8 t -135.39 107.62 7.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.187 -177.879 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 64.6 tt0 -94.8 121.33 36.27 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.145 172.55 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 87.5 tt0 -143.56 131.25 21.31 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.185 -175.73 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 86.2 tttt -101.9 115.73 31.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.208 -179.597 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 80.6 mm-40 -120.98 147.86 44.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.231 172.28 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 77.6 m-20 47.81 -118.39 0.95 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.217 -170.025 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -112.12 12.15 26.64 Favored Glycine 0 CA--C 1.523 0.551 0 N-CA-C 111.242 -0.743 . . . . 0.0 111.242 175.286 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . 0.407 ' HA ' ' O ' ' A' ' 28' ' ' GLN . 60.5 ttm -107.24 126.93 53.05 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.87 0.367 . . . . 0.0 111.202 -177.586 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 65.2 t0 -96.82 114.7 26.35 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.251 172.168 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 93.8 t -107.82 125.78 64.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.202 -174.275 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 65.6 tp -113.78 110.06 19.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.202 174.519 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 75.1 tt0 -101.68 127.96 48.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.208 -173.054 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 41.2 tp -114.38 129.65 56.66 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.173 176.442 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 69.9 m-80 -128.8 106.18 8.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.207 171.158 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.427 HG12 HG12 ' A' ' 62' ' ' ILE . 69.3 mt -102.62 115.13 44.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.198 177.045 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 71.5 p -123.13 163.46 20.52 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.205 -177.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 54.4 tp . . . . . 0 C--O 1.2 -1.508 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.178 -179.332 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 16' ' ' THR . . . . . . . . . . . . . 53.1 p . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.842 0.353 . . . . 0.0 111.176 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 76.9 t -58.99 -39.13 77.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.243 176.753 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.78 -43.94 97.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.175 176.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -73.38 -23.28 60.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.184 -178.022 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 92.6 m-20 -66.13 163.65 17.16 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.216 178.849 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 21' ' ' ARG . . . . . . . . . . . . . 72.3 ttt180 -96.68 124.33 40.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.196 -179.86 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 55.8 tp -112.65 113.82 26.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.146 -179.107 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 46.3 tt0 -117.87 125.41 50.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.168 -178.446 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 24' ' ' ILE . . . . . . . . . . . . . 69.9 mt -131.18 119.14 43.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.203 -178.105 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 25' ' ' ILE . . . . . . . . . . . . . 89.6 mt -116.26 123.78 71.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.19 -177.299 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 4.8 mp -111.51 120.1 61.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.21 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -120.19 125.75 48.96 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.185 -175.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 28' ' ' GLN . . . . . 0.406 ' O ' ' HA ' ' B' ' 72' ' ' MET . 58.3 tt0 -108.23 102.33 11.47 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.22 171.772 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 86.2 tt0 -88.27 134.37 33.82 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.22 -172.532 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 61.71 58.74 1.93 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.234 -176.162 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -77.26 123.46 26.49 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.182 -169.898 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 72.8 tp60 -67.12 116.69 8.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.187 176.294 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 99.5 mt-10 -82.49 -18.63 40.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.206 -176.031 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -73.3 -23.05 78.18 Favored Glycine 0 CA--C 1.523 0.585 0 N-CA-C 111.193 -0.763 . . . . 0.0 111.193 175.509 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 35' ' ' GLN . . . . . . . . . . . . . 99.3 mm-40 -106.94 171.49 7.34 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.793 0.33 . . . . 0.0 111.264 177.888 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 36' ' ' THR . . . . . . . . . . . . . 92.7 m -126.96 124.08 23.82 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.157 179.882 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 86.5 Cg_exo -52.24 112.15 0.8 Allowed 'Trans proline' 0 N--CA 1.459 -0.538 0 C-N-CA 121.738 1.625 . . . . 0.0 111.155 176.603 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 54.9 p-10 -103.64 28.22 6.75 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.226 177.596 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 39' ' ' TYR . . . . . . . . . . . . . 40.3 p90 -125.7 -24.13 3.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.197 -177.331 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 40' ' ' LEU . . . . . 0.57 ' N ' ' CD ' ' B' ' 41' ' ' PRO . 78.1 mt -70.27 -42.08 15.28 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.175 -177.822 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 41' ' ' PRO . . . . . 0.57 ' CD ' ' N ' ' B' ' 40' ' ' LEU . 95.2 Cg_exo -51.1 -38.37 59.92 Favored 'Trans proline' 0 N--CA 1.457 -0.627 0 C-N-CA 121.759 1.639 . . . . 0.0 111.204 177.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 96.0 m -72.4 -42.47 65.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.153 177.422 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 43' ' ' LEU . . . . . 0.424 ' O ' ' HG ' ' B' ' 47' ' ' LEU . 79.7 mt -62.86 -35.25 79.37 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.187 178.168 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 44' ' ' ARG . . . . . . . . . . . . . 98.6 mtt180 -57.92 -45.86 85.87 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.23 177.454 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 45' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -66.78 -32.88 74.45 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.181 174.237 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . . . -70.22 -31.93 69.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.209 -176.776 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 47' ' ' LEU . . . . . 0.424 ' HG ' ' O ' ' B' ' 43' ' ' LEU . 79.3 mt -95.06 -32.72 12.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.24 -174.408 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 48' ' ' MET . . . . . . . . . . . . . 99.1 mtp -83.37 -51.23 7.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.233 -178.37 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 99.5 mt-10 -93.63 -50.85 5.2 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.186 -170.783 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 50' ' ' VAL . . . . . . . . . . . . . 73.6 t -71.13 -53.12 22.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.279 -167.14 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 68.3 mt -64.77 -36.69 85.13 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.243 -179.767 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 36.6 t -53.35 -40.19 64.72 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.224 -179.832 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -69.75 -24.47 63.54 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.243 -177.48 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 20.2 m-85 -82.73 -31.69 28.31 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.234 -176.919 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 55' ' ' VAL . . . . . . . . . . . . . 35.7 m -109.08 -6.83 11.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.15 -177.692 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 56' ' ' ASN . . . . . . . . . . . . . 87.2 m-20 56.85 47.3 18.19 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.171 178.748 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 83.8 t -119.22 137.28 53.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.188 -179.691 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 58' ' ' SER . . . . . . . . . . . . . 83.6 p -77.76 159.21 29.21 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.236 -174.248 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 93.7 mt -67.69 -18.24 64.85 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.201 177.609 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -70.7 -35.61 72.85 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.187 172.254 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 61' ' ' ASN . . . . . . . . . . . . . 90.0 m-20 -91.52 7.18 42.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.187 178.794 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 62' ' ' ILE . . . . . 0.432 HG12 HG12 ' B' ' 79' ' ' ILE . 97.4 mt -113.69 127.58 70.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.178 176.095 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 63' ' ' ARG . . . . . . . . . . . . . 79.7 ttt180 -102.41 123.11 45.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.221 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 64' ' ' ILE . . . . . . . . . . . . . 91.6 mt -126.17 125.27 67.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.168 178.286 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 43.8 t -135.39 107.62 7.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.187 -177.879 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 64.6 tt0 -94.8 121.33 36.27 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.145 172.55 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 87.5 tt0 -143.56 131.25 21.31 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.185 -175.73 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 68' ' ' LYS . . . . . . . . . . . . . 86.2 tttt -101.9 115.73 31.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.208 -179.597 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 69' ' ' GLN . . . . . . . . . . . . . 80.6 mm-40 -120.98 147.86 44.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.231 172.28 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 77.6 m-20 47.81 -118.39 0.95 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.217 -170.025 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 71' ' ' GLY . . . . . . . . . . . . . . . -112.12 12.15 26.64 Favored Glycine 0 CA--C 1.523 0.551 0 N-CA-C 111.242 -0.743 . . . . 0.0 111.242 175.286 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 72' ' ' MET . . . . . 0.406 ' HA ' ' O ' ' B' ' 28' ' ' GLN . 60.5 ttm -107.24 126.93 53.05 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.87 0.367 . . . . 0.0 111.202 -177.586 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 73' ' ' ASP . . . . . . . . . . . . . 65.2 t0 -96.82 114.7 26.35 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.251 172.168 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 74' ' ' VAL . . . . . . . . . . . . . 93.8 t -107.82 125.78 64.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.202 -174.275 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 75' ' ' LEU . . . . . . . . . . . . . 65.6 tp -113.78 110.06 19.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.202 174.519 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 75.1 tt0 -101.68 127.96 48.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.208 -173.054 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 41.2 tp -114.38 129.65 56.66 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.173 176.442 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 78' ' ' ASN . . . . . . . . . . . . . 69.9 m-80 -128.8 106.18 8.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.207 171.158 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 79' ' ' ILE . . . . . 0.432 HG12 HG12 ' B' ' 62' ' ' ILE . 69.3 mt -102.62 115.13 44.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.198 177.045 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 80' ' ' THR . . . . . . . . . . . . . 71.5 p -123.13 163.46 20.52 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.205 -177.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 54.4 tp . . . . . 0 C--O 1.2 -1.508 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.178 -179.332 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 98.5 m . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.766 0.317 . . . . 0.0 111.242 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 35.5 m -120.04 -14.7 8.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.218 178.195 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -76.03 151.77 37.08 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.254 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -63.73 130.64 45.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.196 177.719 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 6.0 t0 -159.11 179.29 9.17 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.197 -175.05 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 62.1 ttp180 -155.06 134.77 12.76 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.197 178.876 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 65.8 mt -117.09 150.1 39.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.184 176.273 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 37.3 tt0 -143.26 122.82 13.23 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.231 177.739 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 87.6 mt -123.73 125.14 70.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.19 178.854 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 47.6 mm -111.15 117.71 55.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.183 177.442 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 87.2 mt -110.95 107.08 22.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.21 179.037 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -101.29 115.59 30.85 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.155 -176.643 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 62.0 tt0 -109.06 104.21 13.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.211 176.741 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 89.6 mt-10 -73.3 133.24 43.83 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.178 178.327 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 75.5 mtp85 -121.3 -115.76 0.31 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.181 -176.513 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -172.79 172.71 4.04 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.22 -174.613 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 73.3 tp60 -65.7 107.33 1.73 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.231 174.729 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 94.7 mt-10 54.62 39.74 31.41 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.244 -172.68 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -68.26 149.38 49.93 Favored Glycine 0 CA--C 1.523 0.589 0 N-CA-C 111.202 -0.759 . . . . 0.0 111.202 179.047 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 97.2 mm-40 -124.64 31.1 5.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.772 0.32 . . . . 0.0 111.223 -173.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 60.2 p -80.29 158.88 71.29 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.197 179.469 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 77.7 Cg_exo -59.24 113.17 1.48 Allowed 'Trans proline' 0 N--CA 1.458 -0.581 0 C-N-CA 121.638 1.559 . . . . 0.0 111.216 -178.362 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 65.5 t0 -72.26 117.85 14.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.194 169.82 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 65.1 m-85 -97.26 -8.42 29.85 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.241 -171.722 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.634 ' N ' ' CD ' ' A' ' 41' ' ' PRO . 94.5 mt -69.22 -37.97 9.83 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.203 -168.395 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . 0.634 ' CD ' ' N ' ' A' ' 40' ' ' LEU . 98.9 Cg_exo -53.53 -31.93 61.24 Favored 'Trans proline' 0 N--CA 1.459 -0.557 0 C-N-CA 121.687 1.592 . . . . 0.0 111.182 -179.385 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 65.0 p -92.55 -28.65 16.63 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.21 -178.819 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 91.7 mt -75.87 -30.67 58.95 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.181 -178.042 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 35.0 ptt180 -65.65 -21.24 66.54 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.227 175.878 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -98.64 -38.5 9.1 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.192 178.268 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . . . -55.2 -62.55 1.59 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.128 -177.469 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 87.5 mt -63.19 -42.59 99.35 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.14 -176.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 36.2 mmt -75.74 -35.28 60.24 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.216 -166.72 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -74.42 -37.42 63.34 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.209 -179.747 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 71.3 t -72.34 -48.14 49.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.197 178.464 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.427 ' O ' HG22 ' A' ' 55' ' ' VAL . 87.8 mt -66.69 -30.62 70.91 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.183 -179.264 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 37.8 t -47.47 -45.74 26.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.2 -178.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -78.11 -14.63 59.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.192 -176.792 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 21.9 m-30 -90.56 -32.47 16.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.182 179.202 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.427 HG22 ' O ' ' A' ' 51' ' ' LEU . 23.1 m -100.63 -12.24 8.54 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.228 -178.443 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 82.3 m-20 65.14 46.06 2.83 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.18 179.559 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 96.8 t -129.52 136.66 58.76 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.228 -179.135 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 31.4 t -71.8 147.58 47.11 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.21 -175.408 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 94.1 mt -60.55 -27.85 67.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.145 175.814 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -67.7 -36.04 79.92 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.151 175.78 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 98.2 m-20 -76.2 -27.32 56.82 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.154 178.033 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 96.6 mt -75.5 133.95 30.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.226 179.197 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 79.6 ttt180 -100.13 123.91 44.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.207 -174.931 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 85.1 mt -120.56 118.49 56.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.225 179.132 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 43.9 t -135.15 104.04 5.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.178 -178.162 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 59.7 tt0 -94.53 135.63 35.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.144 171.576 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -141.55 132.36 25.8 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.215 -176.867 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -77.68 135.01 38.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.213 175.703 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 71.1 tp60 -133.52 112.98 11.96 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.153 178.065 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 80.6 m-20 58.14 -106.84 0.33 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.228 -176.565 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -121.05 40.11 2.22 Favored Glycine 0 CA--C 1.523 0.58 0 N-CA-C 111.207 -0.757 . . . . 0.0 111.207 178.651 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 28.5 ptm -155.06 166.45 33.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.774 0.321 . . . . 0.0 111.227 176.593 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 86.9 m-20 -118.99 138.09 53.06 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.189 179.57 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 95.8 t -123.36 132.09 72.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.2 179.514 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 56.6 tp -112.01 123.23 49.8 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.239 -178.164 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 79.2 tt0 -107.6 120.23 41.62 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.173 179.635 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 55.9 mt -120.15 109.31 15.29 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.196 -176.624 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 79.1 m-20 -111.63 131.15 55.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.192 -178.36 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 79.9 mt -117.75 125.37 74.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.192 175.845 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 98.0 m -101.98 120.95 41.23 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.223 177.251 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 6.8 mp . . . . . 0 C--O 1.199 -1.577 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.17 -178.41 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 16' ' ' THR . . . . . . . . . . . . . 98.5 m . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.766 0.317 . . . . 0.0 111.242 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 35.5 m -120.04 -14.7 8.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.218 178.195 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -76.03 151.77 37.08 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.254 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -63.73 130.64 45.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.196 177.719 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 6.0 t0 -159.11 179.29 9.17 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.197 -175.05 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 21' ' ' ARG . . . . . . . . . . . . . 62.1 ttp180 -155.06 134.77 12.76 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.197 178.876 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 65.8 mt -117.09 150.1 39.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.184 176.273 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 37.3 tt0 -143.26 122.82 13.23 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.231 177.739 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 24' ' ' ILE . . . . . . . . . . . . . 87.6 mt -123.73 125.14 70.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.19 178.854 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 25' ' ' ILE . . . . . . . . . . . . . 47.6 mm -111.15 117.71 55.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.183 177.442 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 87.2 mt -110.95 107.08 22.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.21 179.037 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -101.29 115.59 30.85 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.155 -176.643 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 28' ' ' GLN . . . . . . . . . . . . . 62.0 tt0 -109.06 104.21 13.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.211 176.741 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 89.6 mt-10 -73.3 133.24 43.83 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.178 178.327 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 75.5 mtp85 -121.3 -115.76 0.31 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.181 -176.513 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -172.79 172.71 4.04 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.22 -174.613 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 73.3 tp60 -65.7 107.33 1.73 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.231 174.729 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 94.7 mt-10 54.62 39.74 31.41 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.244 -172.68 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -68.26 149.38 49.93 Favored Glycine 0 CA--C 1.523 0.589 0 N-CA-C 111.202 -0.759 . . . . 0.0 111.202 179.047 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 35' ' ' GLN . . . . . . . . . . . . . 97.2 mm-40 -124.64 31.1 5.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.772 0.32 . . . . 0.0 111.223 -173.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 36' ' ' THR . . . . . . . . . . . . . 60.2 p -80.29 158.88 71.29 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.197 179.469 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 77.7 Cg_exo -59.24 113.17 1.48 Allowed 'Trans proline' 0 N--CA 1.458 -0.581 0 C-N-CA 121.638 1.559 . . . . 0.0 111.216 -178.362 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 65.5 t0 -72.26 117.85 14.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.194 169.82 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 39' ' ' TYR . . . . . . . . . . . . . 65.1 m-85 -97.26 -8.42 29.85 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.241 -171.722 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 40' ' ' LEU . . . . . 0.635 ' N ' ' CD ' ' B' ' 41' ' ' PRO . 94.5 mt -69.22 -37.97 9.83 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.203 -168.395 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 41' ' ' PRO . . . . . 0.635 ' CD ' ' N ' ' B' ' 40' ' ' LEU . 98.9 Cg_exo -53.53 -31.93 61.24 Favored 'Trans proline' 0 N--CA 1.459 -0.557 0 C-N-CA 121.687 1.592 . . . . 0.0 111.182 -179.385 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 65.0 p -92.55 -28.65 16.63 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.21 -178.819 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 91.7 mt -75.87 -30.67 58.95 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.181 -178.042 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 44' ' ' ARG . . . . . . . . . . . . . 35.0 ptt180 -65.65 -21.24 66.54 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.227 175.878 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 45' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -98.64 -38.5 9.1 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.192 178.268 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . . . -55.2 -62.55 1.59 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.128 -177.469 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 87.5 mt -63.19 -42.59 99.35 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.14 -176.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 48' ' ' MET . . . . . . . . . . . . . 36.2 mmt -75.74 -35.28 60.24 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.216 -166.72 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -74.42 -37.42 63.34 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.209 -179.747 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 50' ' ' VAL . . . . . . . . . . . . . 71.3 t -72.34 -48.14 49.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.197 178.464 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 51' ' ' LEU . . . . . 0.413 ' O ' HG22 ' B' ' 55' ' ' VAL . 87.8 mt -66.69 -30.62 70.91 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.183 -179.264 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 37.8 t -47.47 -45.74 26.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.2 -178.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -78.11 -14.63 59.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.192 -176.792 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 21.9 m-30 -90.56 -32.47 16.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.182 179.202 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 55' ' ' VAL . . . . . 0.413 HG22 ' O ' ' B' ' 51' ' ' LEU . 23.1 m -100.63 -12.24 8.54 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.228 -178.443 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 56' ' ' ASN . . . . . . . . . . . . . 82.3 m-20 65.14 46.06 2.83 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.18 179.559 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 96.8 t -129.52 136.66 58.76 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.228 -179.135 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 58' ' ' SER . . . . . . . . . . . . . 31.4 t -71.8 147.58 47.11 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.21 -175.408 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 94.1 mt -60.55 -27.85 67.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.145 175.814 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -67.7 -36.04 79.92 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.151 175.78 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 61' ' ' ASN . . . . . . . . . . . . . 98.2 m-20 -76.2 -27.32 56.82 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.154 178.033 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 62' ' ' ILE . . . . . . . . . . . . . 96.6 mt -75.5 133.95 30.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.226 179.197 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 63' ' ' ARG . . . . . . . . . . . . . 79.6 ttt180 -100.13 123.91 44.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.207 -174.931 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 64' ' ' ILE . . . . . . . . . . . . . 85.1 mt -120.56 118.49 56.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.225 179.132 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 43.9 t -135.15 104.04 5.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.178 -178.162 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 59.7 tt0 -94.53 135.63 35.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.144 171.576 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -141.55 132.36 25.8 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.215 -176.867 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 68' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -77.68 135.01 38.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.213 175.703 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 69' ' ' GLN . . . . . . . . . . . . . 71.1 tp60 -133.52 112.98 11.96 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.153 178.065 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 80.6 m-20 58.14 -106.84 0.33 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.228 -176.565 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 71' ' ' GLY . . . . . . . . . . . . . . . -121.05 40.11 2.22 Favored Glycine 0 CA--C 1.523 0.58 0 N-CA-C 111.207 -0.757 . . . . 0.0 111.207 178.651 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 72' ' ' MET . . . . . . . . . . . . . 28.5 ptm -155.06 166.45 33.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.774 0.321 . . . . 0.0 111.227 176.593 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 73' ' ' ASP . . . . . . . . . . . . . 86.9 m-20 -118.99 138.09 53.06 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.189 179.57 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 74' ' ' VAL . . . . . . . . . . . . . 95.8 t -123.36 132.09 72.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.2 179.514 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 75' ' ' LEU . . . . . . . . . . . . . 56.6 tp -112.01 123.23 49.8 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.239 -178.164 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 79.2 tt0 -107.6 120.23 41.62 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.173 179.635 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 55.9 mt -120.15 109.31 15.29 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.196 -176.624 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 78' ' ' ASN . . . . . . . . . . . . . 79.1 m-20 -111.63 131.15 55.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.192 -178.36 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 79' ' ' ILE . . . . . . . . . . . . . 79.9 mt -117.75 125.37 74.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.192 175.845 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 80' ' ' THR . . . . . . . . . . . . . 98.0 m -101.98 120.95 41.23 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.223 177.251 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 6.8 mp . . . . . 0 C--O 1.199 -1.577 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.17 -178.41 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 98.2 m . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.796 0.331 . . . . 0.0 111.167 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 33.4 m -70.81 -17.31 20.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.161 -179.82 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.71 -28.52 67.39 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.268 176.919 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 42.7 mmt180 -103.11 -27.62 12.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.175 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 50.3 t0 -68.18 108.18 3.05 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.186 -177.789 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 82.8 mtm180 -114.76 157.39 23.29 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.254 177.27 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 72.3 mt -115.9 149.59 38.44 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.206 179.75 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 42.4 tt0 -142.28 114.83 8.48 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.179 175.633 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 5.3 mp -121.82 115.48 46.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.198 -178.277 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 85.0 mt -102.88 120.8 53.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.219 -174.624 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 71.0 mt -102.85 117.84 48.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.23 -178.212 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -111.72 120.44 42.02 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.189 -178.349 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 41.2 tt0 -105.68 117.93 35.29 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.182 170.517 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 64.5 tt0 -75.16 132.77 41.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.182 172.893 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 83.9 mtp180 -123.26 -115.09 0.3 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.239 -175.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -168.58 155.66 7.51 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.229 178.867 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 98.7 mt-30 -74.59 -39.7 62.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.2 179.64 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -124.59 -31.78 3.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.195 -177.441 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -81.95 178.36 53.63 Favored Glycine 0 CA--C 1.523 0.557 0 N-CA-C 111.208 -0.757 . . . . 0.0 111.208 -174.874 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 97.7 mm-40 -121.99 160.77 24.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.755 0.312 . . . . 0.0 111.161 178.518 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 12.6 t -154.86 146.29 16.79 Favored Pre-proline 0 C--N 1.328 -0.357 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.211 178.203 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 87.4 Cg_exo -52.36 131.19 39.19 Favored 'Trans proline' 0 N--CA 1.458 -0.561 0 C-N-CA 121.64 1.56 . . . . 0.0 111.222 176.642 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 76.8 m-20 -77.34 144.3 38.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.224 -179.808 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 68.9 m-85 -129.63 -34.63 1.76 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.207 179.688 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.606 ' HB3' ' HD3' ' A' ' 41' ' ' PRO . 9.9 tt -57.5 -45.05 99.9 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.22 -175.071 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . 0.606 ' HD3' ' HB3' ' A' ' 40' ' ' LEU . 98.2 Cg_exo -52.44 -49.2 18.25 Favored 'Trans proline' 0 N--CA 1.458 -0.614 0 C-N-CA 121.731 1.621 . . . . 0.0 111.188 179.245 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 81.7 p -79.17 -27.88 42.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.179 -175.541 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 81.9 mt -71.75 -44.48 63.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.217 175.907 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 57.7 ttp180 -53.51 -51.09 63.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.239 178.351 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -47.89 -52.58 18.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.195 176.614 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . . . -78.6 -38.8 39.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.203 -171.501 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.458 HD22 HD22 ' B' ' 47' ' ' LEU . 90.5 mt -69.13 -37.78 78.5 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.165 -174.055 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 94.5 mtp -62.05 -40.43 95.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.195 177.009 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -61.47 -29.5 70.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.259 177.224 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 73.2 t -79.88 -41.09 21.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.218 175.899 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 88.5 mt -63.97 -35.2 79.9 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.222 -177.877 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 85.2 p -81.12 -18.65 45.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.216 -177.053 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -66.6 -48.33 69.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.202 -175.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 94.6 m-85 -88.86 3.21 52.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.202 -166.861 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 35.6 m -130.33 -3.0 2.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.163 176.615 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 87.0 m-20 57.32 61.1 2.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.146 174.784 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 29.0 m -127.49 168.01 21.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.196 173.853 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 85.3 p -77.97 167.71 21.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.166 172.545 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 99.0 mt -83.16 -13.2 56.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.178 174.828 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 97.7 m-20 -77.41 -35.2 54.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.157 174.809 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 96.6 m-20 -61.12 -33.67 73.75 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.204 175.182 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 91.9 mt -70.92 130.13 34.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.181 177.824 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 79.8 ttt180 -106.22 125.61 51.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.182 -173.732 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 49.2 pt -97.36 148.12 5.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.159 179.087 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 35.4 t -144.96 87.0 1.81 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.225 176.212 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 66.0 tt0 -77.24 131.3 38.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.168 179.754 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -136.48 140.7 43.26 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.183 -178.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -92.87 99.4 12.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.156 179.575 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 97.2 mm-40 -86.86 61.72 6.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.208 179.235 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 90.8 m-20 62.78 -102.7 0.11 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.228 178.729 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -92.52 9.77 75.31 Favored Glycine 0 CA--C 1.523 0.561 0 N-CA-C 111.164 -0.774 . . . . 0.0 111.164 -179.424 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 90.4 mtp -126.44 170.28 12.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.788 0.327 . . . . 0.0 111.208 174.006 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 65.0 t0 -142.49 118.17 10.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.195 176.483 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 23.8 m -115.81 164.23 12.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.179 -175.001 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 10.3 tt -151.56 121.03 6.87 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.192 175.27 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -91.17 135.67 33.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.166 -176.741 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 89.9 mt -112.44 119.3 37.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.162 176.267 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 71.5 m-80 -112.26 125.3 54.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.177 -179.909 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 4.5 mp -119.93 118.94 58.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.216 179.699 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 96.9 m -106.29 132.09 52.75 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.165 177.816 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 66.0 mt . . . . . 0 C--O 1.199 -1.579 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.211 -172.868 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 16' ' ' THR . . . . . . . . . . . . . 98.2 m . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.796 0.331 . . . . 0.0 111.167 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 33.4 m -70.81 -17.31 20.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.161 -179.82 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.71 -28.52 67.39 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.268 176.919 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 42.7 mmt180 -103.11 -27.62 12.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.175 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 50.3 t0 -68.18 108.18 3.05 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.186 -177.789 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 21' ' ' ARG . . . . . . . . . . . . . 82.8 mtm180 -114.76 157.39 23.29 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.254 177.27 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 72.3 mt -115.9 149.59 38.44 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.206 179.75 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 42.4 tt0 -142.28 114.83 8.48 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.179 175.633 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 24' ' ' ILE . . . . . . . . . . . . . 5.3 mp -121.82 115.48 46.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.198 -178.277 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 25' ' ' ILE . . . . . . . . . . . . . 85.0 mt -102.88 120.8 53.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.219 -174.624 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 71.0 mt -102.85 117.84 48.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.23 -178.212 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -111.72 120.44 42.02 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.189 -178.349 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 28' ' ' GLN . . . . . . . . . . . . . 41.2 tt0 -105.68 117.93 35.29 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.182 170.517 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 64.5 tt0 -75.16 132.77 41.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.182 172.893 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 83.9 mtp180 -123.26 -115.09 0.3 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.239 -175.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -168.58 155.66 7.51 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.229 178.867 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 98.7 mt-30 -74.59 -39.7 62.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.2 179.64 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -124.59 -31.78 3.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.195 -177.441 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -81.95 178.36 53.63 Favored Glycine 0 CA--C 1.523 0.557 0 N-CA-C 111.208 -0.757 . . . . 0.0 111.208 -174.874 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 35' ' ' GLN . . . . . . . . . . . . . 97.7 mm-40 -121.99 160.77 24.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.755 0.312 . . . . 0.0 111.161 178.518 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 36' ' ' THR . . . . . . . . . . . . . 12.6 t -154.86 146.29 16.79 Favored Pre-proline 0 C--N 1.328 -0.357 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.211 178.203 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 87.4 Cg_exo -52.36 131.19 39.19 Favored 'Trans proline' 0 N--CA 1.458 -0.561 0 C-N-CA 121.64 1.56 . . . . 0.0 111.222 176.642 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 76.8 m-20 -77.34 144.3 38.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.224 -179.808 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 39' ' ' TYR . . . . . . . . . . . . . 68.9 m-85 -129.63 -34.63 1.76 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.207 179.688 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 40' ' ' LEU . . . . . 0.605 ' HB3' ' HD3' ' B' ' 41' ' ' PRO . 9.9 tt -57.5 -45.05 99.9 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.22 -175.071 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 41' ' ' PRO . . . . . 0.605 ' HD3' ' HB3' ' B' ' 40' ' ' LEU . 98.2 Cg_exo -52.44 -49.2 18.25 Favored 'Trans proline' 0 N--CA 1.458 -0.614 0 C-N-CA 121.731 1.621 . . . . 0.0 111.188 179.245 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 81.7 p -79.17 -27.88 42.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.179 -175.541 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 81.9 mt -71.75 -44.48 63.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.217 175.907 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 44' ' ' ARG . . . . . . . . . . . . . 57.7 ttp180 -53.51 -51.09 63.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.239 178.351 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 45' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -47.89 -52.58 18.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.195 176.614 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . . . -78.6 -38.8 39.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.203 -171.501 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 47' ' ' LEU . . . . . 0.458 HD22 HD22 ' A' ' 47' ' ' LEU . 90.5 mt -69.13 -37.78 78.5 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.165 -174.055 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 48' ' ' MET . . . . . . . . . . . . . 94.5 mtp -62.05 -40.43 95.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.195 177.009 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -61.47 -29.5 70.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.259 177.224 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 50' ' ' VAL . . . . . . . . . . . . . 73.2 t -79.88 -41.09 21.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.218 175.899 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 88.5 mt -63.97 -35.2 79.9 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.222 -177.877 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 85.2 p -81.12 -18.65 45.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.216 -177.053 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -66.6 -48.33 69.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.202 -175.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 94.6 m-85 -88.86 3.21 52.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.202 -166.861 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 55' ' ' VAL . . . . . . . . . . . . . 35.6 m -130.33 -3.0 2.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.163 176.615 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 56' ' ' ASN . . . . . . . . . . . . . 87.0 m-20 57.32 61.1 2.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.146 174.784 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 29.0 m -127.49 168.01 21.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.196 173.853 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 58' ' ' SER . . . . . . . . . . . . . 85.3 p -77.97 167.71 21.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.166 172.545 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 99.0 mt -83.16 -13.2 56.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.178 174.828 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 97.7 m-20 -77.41 -35.2 54.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.157 174.809 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 61' ' ' ASN . . . . . . . . . . . . . 96.6 m-20 -61.12 -33.67 73.75 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.204 175.182 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 62' ' ' ILE . . . . . . . . . . . . . 91.9 mt -70.92 130.13 34.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.181 177.824 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 63' ' ' ARG . . . . . . . . . . . . . 79.8 ttt180 -106.22 125.61 51.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.182 -173.732 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 64' ' ' ILE . . . . . . . . . . . . . 49.2 pt -97.36 148.12 5.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.159 179.087 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 35.4 t -144.96 87.0 1.81 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.225 176.212 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 66.0 tt0 -77.24 131.3 38.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.168 179.754 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -136.48 140.7 43.26 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.183 -178.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 68' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -92.87 99.4 12.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.156 179.575 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 69' ' ' GLN . . . . . . . . . . . . . 97.2 mm-40 -86.86 61.72 6.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.208 179.235 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 90.8 m-20 62.78 -102.7 0.11 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.228 178.729 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 71' ' ' GLY . . . . . . . . . . . . . . . -92.52 9.77 75.31 Favored Glycine 0 CA--C 1.523 0.561 0 N-CA-C 111.164 -0.774 . . . . 0.0 111.164 -179.424 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 72' ' ' MET . . . . . . . . . . . . . 90.4 mtp -126.44 170.28 12.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.788 0.327 . . . . 0.0 111.208 174.006 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 73' ' ' ASP . . . . . . . . . . . . . 65.0 t0 -142.49 118.17 10.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.195 176.483 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 74' ' ' VAL . . . . . . . . . . . . . 23.8 m -115.81 164.23 12.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.179 -175.001 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 75' ' ' LEU . . . . . . . . . . . . . 10.3 tt -151.56 121.03 6.87 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.192 175.27 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -91.17 135.67 33.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.166 -176.741 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 89.9 mt -112.44 119.3 37.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.162 176.267 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 78' ' ' ASN . . . . . . . . . . . . . 71.5 m-80 -112.26 125.3 54.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.177 -179.909 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 79' ' ' ILE . . . . . . . . . . . . . 4.5 mp -119.93 118.94 58.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.216 179.699 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 80' ' ' THR . . . . . . . . . . . . . 96.9 m -106.29 132.09 52.75 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.165 177.816 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 66.0 mt . . . . . 0 C--O 1.199 -1.579 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.211 -172.868 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 69.9 p . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.761 0.315 . . . . 0.0 111.149 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 56.7 t -63.05 -47.15 94.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.173 -174.815 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -66.05 -38.44 88.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.251 -174.609 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 42.9 mmt180 -94.4 -64.38 1.08 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.189 -173.149 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.463 ' HB2' ' HG2' ' B' ' 32' ' ' GLN . 46.8 t0 -79.03 123.94 27.8 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.259 -168.774 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 41.1 ptt180 -141.61 154.35 45.35 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.177 178.812 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 88.6 mt -109.31 137.73 46.74 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.217 177.822 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 66.9 tt0 -124.67 110.46 14.42 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.202 174.93 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.5 ' HB ' ' HB2' ' A' ' 77' ' ' LEU . 76.0 mt -113.0 115.46 49.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.196 -178.731 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 46.0 mm -109.78 117.39 54.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.232 -177.834 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 74.1 mt -108.44 106.46 20.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.209 -178.654 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -114.5 109.63 18.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.21 -172.488 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 66.7 tt0 -86.47 121.14 28.61 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.198 171.371 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.425 ' HG2' ' HG3' ' A' ' 30' ' ' ARG . 88.5 tt0 -110.27 129.03 55.81 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.183 -177.92 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.425 ' HG3' ' HG2' ' A' ' 29' ' ' GLU . 99.8 mtt180 63.13 56.93 1.68 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.253 -179.491 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -62.66 123.71 19.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.164 -172.613 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . 0.468 ' HG2' ' HB2' ' B' ' 20' ' ' ASP . 95.5 mm-40 -108.29 163.06 13.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.193 174.741 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -111.94 23.6 13.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.238 -177.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -89.34 -0.54 79.76 Favored Glycine 0 CA--C 1.523 0.555 0 N-CA-C 111.152 -0.779 . . . . 0.0 111.152 -178.097 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 79.3 mm-40 -118.04 -177.47 3.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.866 0.365 . . . . 0.0 111.2 -178.601 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.43 ' HA ' ' HD3' ' A' ' 37' ' ' PRO . 86.0 m -54.26 125.32 50.26 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.22 -176.788 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.43 ' HD3' ' HA ' ' A' ' 36' ' ' THR . 87.6 Cg_exo -55.3 -38.5 93.72 Favored 'Trans proline' 0 N--CA 1.459 -0.531 0 C-N-CA 121.731 1.62 . . . . 0.0 111.183 -176.637 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 42.4 t0 -107.88 98.37 7.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.224 -176.924 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . 0.456 ' CD2' ' N ' ' A' ' 39' ' ' TYR . 1.8 p90 -133.04 -31.77 1.26 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.199 -176.265 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.562 ' HB2' ' HD3' ' A' ' 41' ' ' PRO . 86.7 mt -91.12 -43.22 0.39 Allowed Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.227 177.869 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . 0.562 ' HD3' ' HB2' ' A' ' 40' ' ' LEU . 90.9 Cg_exo -51.56 -38.64 65.31 Favored 'Trans proline' 0 N--CA 1.458 -0.614 0 C-N-CA 121.705 1.603 . . . . 0.0 111.214 179.255 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 88.0 m -80.15 -40.19 27.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.191 177.305 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 62.5 tp -54.7 -42.46 71.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.253 178.708 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 85.9 mtm180 -66.43 -28.62 68.75 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.173 -177.636 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -82.25 -34.79 28.65 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.187 174.914 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . . . -72.9 -46.2 54.0 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.196 -177.38 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.432 HD13 HD13 ' B' ' 47' ' ' LEU . 45.3 tp -72.92 -50.05 25.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.212 -177.52 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 59.5 ttp -50.02 -45.19 51.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.193 176.785 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 89.2 tt0 -59.51 -52.49 65.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.206 -175.582 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 33.2 m -75.92 -26.6 17.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.23 -171.019 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.443 ' O ' HG22 ' A' ' 55' ' ' VAL . 62.4 mt -60.33 -45.33 93.8 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.178 174.233 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 61.0 p -64.42 -22.39 66.94 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.21 -178.143 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -82.62 -29.92 29.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.193 -179.491 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 18.6 m-30 -86.21 -35.16 20.21 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.161 -174.005 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.443 HG22 ' O ' ' A' ' 51' ' ' LEU . 11.2 m -99.96 0.06 10.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.207 -174.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 77.6 m-20 63.07 59.92 1.26 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.253 173.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 24.3 m -139.37 166.95 20.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.203 173.778 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 85.3 p -76.61 169.33 18.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.218 165.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 95.7 mt -71.18 -21.08 62.2 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.242 -179.868 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -67.62 -14.97 63.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.21 176.398 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 61.7 m-80 -94.32 15.46 17.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.206 179.028 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 91.9 mt -121.97 125.84 73.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.203 172.723 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 79.6 ttt180 -111.51 119.46 38.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.177 -178.556 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.41 HG12 ' HG ' ' A' ' 77' ' ' LEU . 76.3 mt -118.86 122.49 69.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.265 -176.909 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 40.4 t -123.57 133.01 54.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.169 179.232 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 66.3 tt0 -106.2 120.72 42.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.227 -178.869 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -102.65 121.59 42.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.169 175.187 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 99.7 mttt -100.26 113.69 26.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.19 -176.701 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 56.8 mm-40 -127.1 46.01 2.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.144 176.909 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 97.1 m-20 64.71 -97.28 0.05 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.196 178.676 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -81.22 -21.15 63.22 Favored Glycine 0 CA--C 1.523 0.535 0 N-CA-C 111.209 -0.756 . . . . 0.0 111.209 -177.692 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 54.0 tpp -101.69 131.57 47.87 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.744 0.307 . . . . 0.0 111.184 173.148 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 63.2 t0 -135.23 113.01 10.9 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.205 175.891 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 99.0 t -113.5 124.3 70.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.252 -172.037 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 53.3 mt -100.37 135.39 41.88 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.244 173.518 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 68.6 tt0 -111.78 114.05 26.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.18 174.39 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.5 ' HB2' ' HB ' ' A' ' 24' ' ' ILE . 5.9 mp -114.48 113.44 24.47 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.166 -177.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 78.3 m-20 -109.13 113.81 26.99 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.162 179.032 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 4.7 mp -117.79 123.95 72.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.201 -172.825 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 95.2 m -65.72 127.52 32.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.236 174.415 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 33.9 tp . . . . . 0 C--O 1.2 -1.552 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.175 173.674 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 16' ' ' THR . . . . . . . . . . . . . 69.9 p . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.761 0.315 . . . . 0.0 111.149 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 56.7 t -63.05 -47.15 94.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.173 -174.815 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -66.05 -38.44 88.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.251 -174.609 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 42.9 mmt180 -94.4 -64.38 1.08 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.189 -173.149 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 20' ' ' ASP . . . . . 0.468 ' HB2' ' HG2' ' A' ' 32' ' ' GLN . 46.8 t0 -79.03 123.94 27.8 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.259 -168.774 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 21' ' ' ARG . . . . . . . . . . . . . 41.1 ptt180 -141.61 154.35 45.35 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.177 178.812 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 22' ' ' LEU . . . . . 0.402 ' HB2' ' HB ' ' B' ' 79' ' ' ILE . 88.6 mt -109.31 137.73 46.74 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.217 177.822 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 66.9 tt0 -124.67 110.46 14.42 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.202 174.93 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 24' ' ' ILE . . . . . 0.5 ' HB ' ' HB2' ' B' ' 77' ' ' LEU . 76.0 mt -113.0 115.46 49.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.196 -178.731 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 25' ' ' ILE . . . . . . . . . . . . . 46.0 mm -109.78 117.39 54.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.232 -177.834 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 74.1 mt -108.44 106.46 20.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.209 -178.654 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -114.5 109.63 18.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.21 -172.488 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 28' ' ' GLN . . . . . . . . . . . . . 66.7 tt0 -86.47 121.14 28.61 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.198 171.371 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 29' ' ' GLU . . . . . 0.43 ' HG2' ' HG3' ' B' ' 30' ' ' ARG . 88.5 tt0 -110.27 129.03 55.81 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.183 -177.92 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 30' ' ' ARG . . . . . 0.43 ' HG3' ' HG2' ' B' ' 29' ' ' GLU . 99.8 mtt180 63.13 56.93 1.68 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.253 -179.491 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -62.66 123.71 19.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.164 -172.613 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 32' ' ' GLN . . . . . 0.463 ' HG2' ' HB2' ' A' ' 20' ' ' ASP . 95.5 mm-40 -108.29 163.06 13.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.193 174.741 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -111.94 23.6 13.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.238 -177.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -89.34 -0.54 79.76 Favored Glycine 0 CA--C 1.523 0.555 0 N-CA-C 111.152 -0.779 . . . . 0.0 111.152 -178.097 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 35' ' ' GLN . . . . . . . . . . . . . 79.3 mm-40 -118.04 -177.47 3.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.866 0.365 . . . . 0.0 111.2 -178.601 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 36' ' ' THR . . . . . 0.423 ' HA ' ' HD3' ' B' ' 37' ' ' PRO . 86.0 m -54.26 125.32 50.26 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.22 -176.788 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 37' ' ' PRO . . . . . 0.423 ' HD3' ' HA ' ' B' ' 36' ' ' THR . 87.6 Cg_exo -55.3 -38.5 93.72 Favored 'Trans proline' 0 N--CA 1.459 -0.531 0 C-N-CA 121.731 1.62 . . . . 0.0 111.183 -176.637 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 42.4 t0 -107.88 98.37 7.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.224 -176.924 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 39' ' ' TYR . . . . . 0.451 ' N ' ' CD2' ' B' ' 39' ' ' TYR . 1.8 p90 -133.04 -31.77 1.26 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.199 -176.265 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 40' ' ' LEU . . . . . 0.548 ' HB2' ' HD3' ' B' ' 41' ' ' PRO . 86.7 mt -91.12 -43.22 0.39 Allowed Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.227 177.869 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 41' ' ' PRO . . . . . 0.548 ' HD3' ' HB2' ' B' ' 40' ' ' LEU . 90.9 Cg_exo -51.56 -38.64 65.31 Favored 'Trans proline' 0 N--CA 1.458 -0.614 0 C-N-CA 121.705 1.603 . . . . 0.0 111.214 179.255 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 88.0 m -80.15 -40.19 27.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.191 177.305 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 62.5 tp -54.7 -42.46 71.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.253 178.708 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 44' ' ' ARG . . . . . . . . . . . . . 85.9 mtm180 -66.43 -28.62 68.75 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.173 -177.636 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 45' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -82.25 -34.79 28.65 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.187 174.914 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . . . -72.9 -46.2 54.0 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.196 -177.38 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 47' ' ' LEU . . . . . 0.432 HD13 HD13 ' A' ' 47' ' ' LEU . 45.3 tp -72.92 -50.05 25.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.212 -177.52 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 48' ' ' MET . . . . . . . . . . . . . 59.5 ttp -50.02 -45.19 51.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.193 176.785 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 89.2 tt0 -59.51 -52.49 65.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.206 -175.582 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 50' ' ' VAL . . . . . . . . . . . . . 33.2 m -75.92 -26.6 17.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.23 -171.019 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 51' ' ' LEU . . . . . 0.443 ' O ' HG22 ' B' ' 55' ' ' VAL . 62.4 mt -60.33 -45.33 93.8 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.178 174.233 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 61.0 p -64.42 -22.39 66.94 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.21 -178.143 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -82.62 -29.92 29.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.193 -179.491 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 18.6 m-30 -86.21 -35.16 20.21 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.161 -174.005 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 55' ' ' VAL . . . . . 0.443 HG22 ' O ' ' B' ' 51' ' ' LEU . 11.2 m -99.96 0.06 10.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.207 -174.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 56' ' ' ASN . . . . . . . . . . . . . 77.6 m-20 63.07 59.92 1.26 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.253 173.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 24.3 m -139.37 166.95 20.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.203 173.778 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 58' ' ' SER . . . . . . . . . . . . . 85.3 p -76.61 169.33 18.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.218 165.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 95.7 mt -71.18 -21.08 62.2 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.242 -179.868 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -67.62 -14.97 63.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.21 176.398 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 61' ' ' ASN . . . . . . . . . . . . . 61.7 m-80 -94.32 15.46 17.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.206 179.028 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 62' ' ' ILE . . . . . . . . . . . . . 91.9 mt -121.97 125.84 73.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.203 172.723 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 63' ' ' ARG . . . . . . . . . . . . . 79.6 ttt180 -111.51 119.46 38.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.177 -178.556 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 64' ' ' ILE . . . . . 0.405 HG12 ' HG ' ' B' ' 77' ' ' LEU . 76.3 mt -118.86 122.49 69.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.265 -176.909 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 40.4 t -123.57 133.01 54.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.169 179.232 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 66.3 tt0 -106.2 120.72 42.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.227 -178.869 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -102.65 121.59 42.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.169 175.187 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 68' ' ' LYS . . . . . . . . . . . . . 99.7 mttt -100.26 113.69 26.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.19 -176.701 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 69' ' ' GLN . . . . . . . . . . . . . 56.8 mm-40 -127.1 46.01 2.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.144 176.909 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 97.1 m-20 64.71 -97.28 0.05 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.196 178.676 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 71' ' ' GLY . . . . . . . . . . . . . . . -81.22 -21.15 63.22 Favored Glycine 0 CA--C 1.523 0.535 0 N-CA-C 111.209 -0.756 . . . . 0.0 111.209 -177.692 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 72' ' ' MET . . . . . . . . . . . . . 54.0 tpp -101.69 131.57 47.87 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.744 0.307 . . . . 0.0 111.184 173.148 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 73' ' ' ASP . . . . . . . . . . . . . 63.2 t0 -135.23 113.01 10.9 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.205 175.891 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 74' ' ' VAL . . . . . . . . . . . . . 99.0 t -113.5 124.3 70.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.252 -172.037 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 75' ' ' LEU . . . . . . . . . . . . . 53.3 mt -100.37 135.39 41.88 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.244 173.518 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 68.6 tt0 -111.78 114.05 26.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.18 174.39 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 77' ' ' LEU . . . . . 0.5 ' HB2' ' HB ' ' B' ' 24' ' ' ILE . 5.9 mp -114.48 113.44 24.47 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.166 -177.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 78' ' ' ASN . . . . . . . . . . . . . 78.3 m-20 -109.13 113.81 26.99 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.162 179.032 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 79' ' ' ILE . . . . . 0.402 ' HB ' ' HB2' ' B' ' 22' ' ' LEU . 4.7 mp -117.79 123.95 72.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.201 -172.825 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 80' ' ' THR . . . . . . . . . . . . . 95.2 m -65.72 127.52 32.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.236 174.415 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 33.9 tp . . . . . 0 C--O 1.2 -1.552 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.175 173.674 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 78.6 m . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.797 0.332 . . . . 0.0 111.169 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.858 ' O ' HG12 ' A' ' 17' ' ' VAL . 74.3 t -141.55 32.24 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.178 177.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -75.9 -58.52 3.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.195 177.059 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 66.8 mtp180 -74.32 -20.76 60.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.185 176.806 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.526 ' HA ' ' HB3' ' A' ' 81' ' ' LEU . 95.8 m-20 -73.41 -30.96 63.58 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.268 -0.423 . . . . 0.0 111.201 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 43.7 ttm180 -134.64 97.38 3.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.163 -178.606 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 83.4 mt -109.97 128.79 55.6 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.182 174.863 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 36.1 tt0 -122.68 127.59 49.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.217 -178.748 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 4.8 mp -117.92 122.13 69.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.15 179.33 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.47 ' HB ' ' HB ' ' B' ' 25' ' ' ILE . 85.3 mt -117.81 119.27 61.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.136 -179.637 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.422 ' HB ' ' HB3' ' A' ' 75' ' ' LEU . 38.8 mm -110.67 114.45 47.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.226 175.721 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -99.09 131.81 44.86 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.245 -178.061 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 97.2 mt-30 -131.98 86.19 2.31 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.189 179.498 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -69.9 156.4 39.13 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.203 -176.554 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 39.97 72.41 0.15 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.163 179.789 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -128.15 144.75 51.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.216 -173.422 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 99.3 mm-40 -106.38 170.7 7.77 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.13 178.822 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -100.28 -14.13 18.56 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.233 -172.465 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -140.09 -24.24 0.28 Allowed Glycine 0 CA--C 1.524 0.609 0 N-CA-C 111.203 -0.759 . . . . 0.0 111.203 -177.008 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 73.3 tp60 -81.6 -38.04 26.68 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.804 0.335 . . . . 0.0 111.19 175.497 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 97.4 m -88.72 128.49 52.29 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.193 177.201 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 60.6 Cg_endo -70.56 139.81 38.28 Favored 'Trans proline' 0 N--CA 1.458 -0.609 0 C-N-CA 121.694 1.596 . . . . 0.0 111.184 179.255 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 64.8 t0 -96.86 108.8 21.56 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.224 -173.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 41.7 m-85 -109.06 13.21 24.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.254 -177.867 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.606 ' N ' ' CD ' ' A' ' 41' ' ' PRO . 94.8 mt -70.58 -39.51 9.53 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.208 -178.206 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . 0.606 ' CD ' ' N ' ' A' ' 40' ' ' LEU . 87.4 Cg_exo -52.44 -36.35 69.31 Favored 'Trans proline' 0 N--CA 1.458 -0.577 0 C-N-CA 121.769 1.646 . . . . 0.0 111.159 177.609 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 96.9 m -71.32 -43.11 67.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.23 -178.708 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 79.3 mt -61.19 -41.46 96.85 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.197 177.242 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 84.8 mtm180 -65.9 -39.99 91.12 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.222 -179.156 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -66.2 -41.45 90.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.199 175.892 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . . . -61.89 -42.68 99.36 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.204 178.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 84.0 mt -63.4 -33.55 75.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.197 -179.813 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 93.8 mmm -69.51 -27.52 65.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.142 176.334 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 99.8 mt-10 -83.55 -39.38 20.48 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.201 175.503 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 72.3 t -77.93 -82.0 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.14 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.469 ' O ' HG22 ' A' ' 55' ' ' VAL . 87.6 mt -73.34 -44.75 58.24 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.168 -163.254 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 38.0 t -55.64 -40.44 72.2 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.124 -176.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -77.05 -22.61 52.67 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.218 178.835 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 4.5 m-30 -76.77 -29.09 55.93 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.149 179.021 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.469 HG22 ' O ' ' A' ' 51' ' ' LEU . 31.7 m -113.82 -8.65 12.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.185 -175.932 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 85.0 m-20 62.59 60.49 1.34 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.24 179.443 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.427 HG23 HG23 ' A' ' 55' ' ' VAL . 64.3 t -126.72 137.01 59.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.225 177.103 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 69.6 p -79.04 162.08 26.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.246 -174.897 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 35.2 tp -59.4 -32.2 69.95 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.252 175.923 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -68.43 -31.62 71.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.191 179.346 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 67.2 m-80 -92.56 18.56 8.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.275 176.614 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 95.2 mt -121.91 130.24 74.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.205 171.913 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 79.7 ttt180 -97.18 122.69 40.47 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.213 -177.174 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 79.2 mt -123.62 121.89 63.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.205 -178.076 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 93.8 p -148.25 162.04 40.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.185 178.093 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 84.9 mt-30 -125.71 152.35 45.42 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.175 178.501 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -135.9 127.0 27.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.223 -177.438 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -105.04 120.86 42.53 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.19 178.095 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 65.2 mm-40 -127.95 116.52 20.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.183 177.159 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 86.8 m-20 62.53 -100.99 0.1 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.186 -175.905 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -128.77 30.92 3.65 Favored Glycine 0 CA--C 1.523 0.568 0 N-CA-C 111.242 -0.743 . . . . 0.0 111.242 173.357 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 67.1 ttp -119.89 129.27 54.29 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.829 0.347 . . . . 0.0 111.166 -178.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 92.9 m-20 -101.04 132.19 46.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.162 176.738 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 86.6 t -120.4 130.29 74.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.179 179.71 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.422 ' HB3' ' HB ' ' A' ' 26' ' ' ILE . 52.3 tp -105.34 126.09 51.72 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.192 172.311 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 74.1 tt0 -121.33 123.9 43.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.21 -178.176 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 4.8 mp -119.88 136.97 54.29 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.211 172.47 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 71.3 m-80 -126.24 110.86 13.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.186 177.234 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 75.9 mt -98.9 115.23 38.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.172 -177.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 98.1 m -107.9 126.25 52.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.247 -174.296 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.526 ' HB3' ' HA ' ' A' ' 20' ' ' ASP . 54.8 tp . . . . . 0 C--O 1.201 -1.488 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.213 178.015 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 16' ' ' THR . . . . . . . . . . . . . 78.6 m . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.797 0.332 . . . . 0.0 111.169 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 17' ' ' VAL . . . . . 0.848 ' O ' HG12 ' B' ' 17' ' ' VAL . 74.3 t -141.55 32.24 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.178 177.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -75.9 -58.52 3.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.195 177.059 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 66.8 mtp180 -74.32 -20.76 60.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.185 176.806 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 20' ' ' ASP . . . . . 0.515 ' HA ' ' HB3' ' B' ' 81' ' ' LEU . 95.8 m-20 -73.41 -30.96 63.58 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.268 -0.423 . . . . 0.0 111.201 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 21' ' ' ARG . . . . . . . . . . . . . 43.7 ttm180 -134.64 97.38 3.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.163 -178.606 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 83.4 mt -109.97 128.79 55.6 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.182 174.863 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 36.1 tt0 -122.68 127.59 49.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.217 -178.748 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 24' ' ' ILE . . . . . . . . . . . . . 4.8 mp -117.92 122.13 69.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.15 179.33 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 25' ' ' ILE . . . . . 0.47 ' HB ' ' HB ' ' A' ' 25' ' ' ILE . 85.3 mt -117.81 119.27 61.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.136 -179.637 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 26' ' ' ILE . . . . . 0.431 ' HB ' ' HB3' ' B' ' 75' ' ' LEU . 38.8 mm -110.67 114.45 47.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.226 175.721 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -99.09 131.81 44.86 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.245 -178.061 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 28' ' ' GLN . . . . . . . . . . . . . 97.2 mt-30 -131.98 86.19 2.31 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.189 179.498 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -69.9 156.4 39.13 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.203 -176.554 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 39.97 72.41 0.15 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.163 179.789 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -128.15 144.75 51.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.216 -173.422 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 99.3 mm-40 -106.38 170.7 7.77 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.13 178.822 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -100.28 -14.13 18.56 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.233 -172.465 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -140.09 -24.24 0.28 Allowed Glycine 0 CA--C 1.524 0.609 0 N-CA-C 111.203 -0.759 . . . . 0.0 111.203 -177.008 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 35' ' ' GLN . . . . . . . . . . . . . 73.3 tp60 -81.6 -38.04 26.68 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.804 0.335 . . . . 0.0 111.19 175.497 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 36' ' ' THR . . . . . . . . . . . . . 97.4 m -88.72 128.49 52.29 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.193 177.201 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 60.6 Cg_endo -70.56 139.81 38.28 Favored 'Trans proline' 0 N--CA 1.458 -0.609 0 C-N-CA 121.694 1.596 . . . . 0.0 111.184 179.255 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 64.8 t0 -96.86 108.8 21.56 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.224 -173.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 39' ' ' TYR . . . . . . . . . . . . . 41.7 m-85 -109.06 13.21 24.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.254 -177.867 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 40' ' ' LEU . . . . . 0.611 ' N ' ' CD ' ' B' ' 41' ' ' PRO . 94.8 mt -70.58 -39.51 9.53 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.208 -178.206 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 41' ' ' PRO . . . . . 0.611 ' CD ' ' N ' ' B' ' 40' ' ' LEU . 87.4 Cg_exo -52.44 -36.35 69.31 Favored 'Trans proline' 0 N--CA 1.458 -0.577 0 C-N-CA 121.769 1.646 . . . . 0.0 111.159 177.609 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 96.9 m -71.32 -43.11 67.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.23 -178.708 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 79.3 mt -61.19 -41.46 96.85 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.197 177.242 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 44' ' ' ARG . . . . . . . . . . . . . 84.8 mtm180 -65.9 -39.99 91.12 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.222 -179.156 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 45' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -66.2 -41.45 90.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.199 175.892 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . . . -61.89 -42.68 99.36 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.204 178.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 84.0 mt -63.4 -33.55 75.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.197 -179.813 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 48' ' ' MET . . . . . . . . . . . . . 93.8 mmm -69.51 -27.52 65.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.142 176.334 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 99.8 mt-10 -83.55 -39.38 20.48 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.201 175.503 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 50' ' ' VAL . . . . . . . . . . . . . 72.3 t -77.93 -82.0 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.14 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 51' ' ' LEU . . . . . 0.455 ' O ' HG22 ' B' ' 55' ' ' VAL . 87.6 mt -73.34 -44.75 58.24 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.168 -163.254 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 52' ' ' SER . . . . . 0.428 ' OG ' ' O ' ' B' ' 57' ' ' VAL . 38.0 t -55.64 -40.44 72.2 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.124 -176.939 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -77.05 -22.61 52.67 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.218 178.835 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 54' ' ' TYR . . . . . 0.412 ' HD1' ' HA ' ' B' ' 54' ' ' TYR . 4.5 m-30 -76.77 -29.09 55.93 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.149 179.021 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 55' ' ' VAL . . . . . 0.455 HG22 ' O ' ' B' ' 51' ' ' LEU . 31.7 m -113.82 -8.65 12.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.185 -175.932 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 56' ' ' ASN . . . . . . . . . . . . . 85.0 m-20 62.59 60.49 1.34 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.24 179.443 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 57' ' ' VAL . . . . . 0.428 ' O ' ' OG ' ' B' ' 52' ' ' SER . 64.3 t -126.72 137.01 59.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.225 177.103 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 58' ' ' SER . . . . . . . . . . . . . 69.6 p -79.04 162.08 26.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.246 -174.897 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 35.2 tp -59.4 -32.2 69.95 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.252 175.923 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -68.43 -31.62 71.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.191 179.346 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 61' ' ' ASN . . . . . . . . . . . . . 67.2 m-80 -92.56 18.56 8.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.275 176.614 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 62' ' ' ILE . . . . . . . . . . . . . 95.2 mt -121.91 130.24 74.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.205 171.913 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 63' ' ' ARG . . . . . . . . . . . . . 79.7 ttt180 -97.18 122.69 40.47 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.213 -177.174 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 64' ' ' ILE . . . . . . . . . . . . . 79.2 mt -123.62 121.89 63.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.205 -178.076 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 93.8 p -148.25 162.04 40.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.185 178.093 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 84.9 mt-30 -125.71 152.35 45.42 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.175 178.501 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -135.9 127.0 27.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.223 -177.438 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 68' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -105.04 120.86 42.53 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.19 178.095 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 69' ' ' GLN . . . . . . . . . . . . . 65.2 mm-40 -127.95 116.52 20.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.183 177.159 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 86.8 m-20 62.53 -100.99 0.1 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.186 -175.905 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 71' ' ' GLY . . . . . . . . . . . . . . . -128.77 30.92 3.65 Favored Glycine 0 CA--C 1.523 0.568 0 N-CA-C 111.242 -0.743 . . . . 0.0 111.242 173.357 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 72' ' ' MET . . . . . . . . . . . . . 67.1 ttp -119.89 129.27 54.29 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.829 0.347 . . . . 0.0 111.166 -178.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 73' ' ' ASP . . . . . . . . . . . . . 92.9 m-20 -101.04 132.19 46.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.162 176.738 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 74' ' ' VAL . . . . . . . . . . . . . 86.6 t -120.4 130.29 74.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.179 179.71 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 75' ' ' LEU . . . . . 0.431 ' HB3' ' HB ' ' B' ' 26' ' ' ILE . 52.3 tp -105.34 126.09 51.72 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.192 172.311 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 74.1 tt0 -121.33 123.9 43.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.21 -178.176 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 4.8 mp -119.88 136.97 54.29 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.211 172.47 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 78' ' ' ASN . . . . . . . . . . . . . 71.3 m-80 -126.24 110.86 13.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.186 177.234 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 79' ' ' ILE . . . . . . . . . . . . . 75.9 mt -98.9 115.23 38.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.172 -177.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 80' ' ' THR . . . . . . . . . . . . . 98.1 m -107.9 126.25 52.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.247 -174.296 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 81' ' ' LEU . . . . . 0.515 ' HB3' ' HA ' ' B' ' 20' ' ' ASP . 54.8 tp . . . . . 0 C--O 1.201 -1.488 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.213 178.015 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 70.5 p . . . . . 0 CA--C 1.523 -0.096 0 CA-C-O 120.84 0.352 . . . . 0.0 111.231 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 76.4 t -79.67 -53.19 13.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.137 -178.266 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -66.65 140.74 57.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.209 -175.18 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 57.1 mmm-85 -112.4 -33.91 6.04 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.219 179.286 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 97.7 m-20 -123.3 -90.87 0.56 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.26 -178.872 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 88.7 mtm180 -130.53 144.79 51.64 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.25 -168.433 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 39.0 tp -139.5 132.21 29.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.204 176.865 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 41.7 tt0 -126.16 130.28 50.69 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.216 -179.257 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 88.3 mt -120.04 127.34 75.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.25 179.226 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 83.5 mt -116.95 117.35 55.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.247 -178.669 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 82.5 mt -110.06 107.01 21.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.177 178.606 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -103.66 93.5 4.95 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.225 -173.088 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 50.4 tp60 -91.33 113.65 25.97 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.167 -179.575 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 75.5 tt0 -63.84 127.77 32.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.206 176.294 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 82.8 mtp180 -141.6 34.93 1.63 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.191 -175.679 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -83.02 -16.64 46.32 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.224 178.904 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 14.0 pm0 -70.04 -21.85 63.14 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.177 179.495 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 95.4 mt-10 51.06 43.04 29.19 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.184 176.806 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -102.81 155.3 18.28 Favored Glycine 0 CA--C 1.524 0.609 0 N-CA-C 111.155 -0.778 . . . . 0.0 111.155 -178.86 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 72.5 tp60 -70.5 109.63 4.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.856 0.36 . . . . 0.0 111.18 178.754 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.41 ' HA ' ' HD3' ' A' ' 37' ' ' PRO . 11.7 t -145.68 145.46 25.67 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.225 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.41 ' HD3' ' HA ' ' A' ' 36' ' ' THR . 81.6 Cg_exo -53.59 133.37 53.45 Favored 'Trans proline' 0 N--CA 1.457 -0.645 0 C-N-CA 121.716 1.61 . . . . 0.0 111.173 -179.862 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 66.7 t0 -95.53 94.95 8.07 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.218 177.285 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 24.0 m-85 -114.01 38.47 2.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.137 176.656 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.601 ' N ' ' CD ' ' A' ' 41' ' ' PRO . 88.2 mt -67.65 -40.76 26.69 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.197 170.188 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . 0.601 ' CD ' ' N ' ' A' ' 40' ' ' LEU . 78.1 Cg_exo -54.89 -31.91 75.39 Favored 'Trans proline' 0 N--CA 1.458 -0.615 0 C-N-CA 121.703 1.602 . . . . 0.0 111.218 173.757 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 96.9 m -70.28 -40.52 74.27 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.223 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 96.0 mt -62.45 -34.94 77.78 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.223 174.134 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -66.09 -39.97 90.44 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.187 175.549 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -73.46 -34.4 65.37 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.184 178.633 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . . . -60.42 -49.36 77.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.197 175.569 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 84.7 mt -67.3 -36.95 82.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.197 177.336 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 62.4 ttp -52.02 -52.38 51.2 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.262 177.821 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 99.7 mt-10 -70.07 -37.48 75.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.195 -175.197 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 74.2 t -75.29 -49.04 29.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.138 -177.891 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.449 ' HA ' ' HB3' ' A' ' 54' ' ' TYR . 85.9 mt -65.51 -31.67 72.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.207 -174.09 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 39.0 t -55.1 -45.32 75.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.185 179.864 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -84.72 -28.72 26.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.164 179.208 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . 0.449 ' HB3' ' HA ' ' A' ' 51' ' ' LEU . 84.5 t80 -67.58 -47.76 68.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.17 179.585 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.469 ' O ' HG12 ' A' ' 55' ' ' VAL . 99.6 t -93.56 -10.92 9.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.195 178.935 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 63.8 t30 63.38 47.76 3.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.189 -178.224 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 35.6 m -139.65 166.19 21.36 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.248 176.873 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 60.5 p -85.36 179.25 7.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.216 176.449 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 52.1 tp -62.72 -22.68 66.71 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.223 178.042 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 98.2 m-20 -65.1 -20.55 66.52 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.207 -175.727 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 68.3 m-80 -98.1 15.45 24.19 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.22 179.557 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 87.7 mt -119.16 124.66 73.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.193 177.608 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 75.5 ttt180 -119.64 121.73 39.95 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.19 177.209 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 84.5 mt -120.94 132.27 70.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.22 -173.74 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 48.4 t -152.06 143.28 23.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.225 175.825 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 24.7 pt20 -125.53 154.35 42.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.184 -171.927 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 87.6 tt0 -151.03 133.55 15.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.126 175.037 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -98.99 115.44 28.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.187 -178.185 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 68.6 mm-40 -133.76 144.51 49.1 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.168 177.228 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 78.6 m-20 60.53 26.42 16.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.21 179.796 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 75.09 32.01 56.9 Favored Glycine 0 CA--C 1.522 0.506 0 N-CA-C 111.187 -0.765 . . . . 0.0 111.187 178.516 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 59.7 ttm -142.62 117.88 10.17 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.787 0.327 . . . . 0.0 111.184 -178.567 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 66.2 t0 -85.93 111.89 20.67 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.24 -176.863 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 97.5 t -106.85 124.31 62.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.202 -172.892 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.4 HD12 ' N ' ' A' ' 75' ' ' LEU . 8.3 mp -102.47 127.9 49.31 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.185 179.821 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 65.1 tt0 -113.4 120.4 40.93 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.182 -179.376 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.489 ' C ' HD23 ' A' ' 77' ' ' LEU . 9.7 tt -114.94 121.02 41.88 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.189 178.181 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 73.3 m-80 -113.24 120.92 42.86 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.196 178.275 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 19.1 tt -129.7 136.9 58.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.166 -178.041 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 85.1 m -131.35 139.07 49.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.215 -174.306 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 50.7 tp . . . . . 0 C--O 1.2 -1.526 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.278 178.65 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 16' ' ' THR . . . . . . . . . . . . . 70.5 p . . . . . 0 CA--C 1.523 -0.096 0 CA-C-O 120.84 0.352 . . . . 0.0 111.231 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 76.4 t -79.67 -53.19 13.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.137 -178.266 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -66.65 140.74 57.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.209 -175.18 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 57.1 mmm-85 -112.4 -33.91 6.04 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.219 179.286 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 97.7 m-20 -123.3 -90.87 0.56 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.26 -178.872 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 21' ' ' ARG . . . . . . . . . . . . . 88.7 mtm180 -130.53 144.79 51.64 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.25 -168.433 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 39.0 tp -139.5 132.21 29.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.204 176.865 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 41.7 tt0 -126.16 130.28 50.69 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.216 -179.257 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 24' ' ' ILE . . . . . . . . . . . . . 88.3 mt -120.04 127.34 75.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.25 179.226 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 25' ' ' ILE . . . . . . . . . . . . . 83.5 mt -116.95 117.35 55.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.247 -178.669 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 82.5 mt -110.06 107.01 21.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.177 178.606 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -103.66 93.5 4.95 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.225 -173.088 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 28' ' ' GLN . . . . . . . . . . . . . 50.4 tp60 -91.33 113.65 25.97 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.167 -179.575 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 75.5 tt0 -63.84 127.77 32.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.206 176.294 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 82.8 mtp180 -141.6 34.93 1.63 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.191 -175.679 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -83.02 -16.64 46.32 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.224 178.904 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 14.0 pm0 -70.04 -21.85 63.14 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.177 179.495 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 95.4 mt-10 51.06 43.04 29.19 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.184 176.806 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -102.81 155.3 18.28 Favored Glycine 0 CA--C 1.524 0.609 0 N-CA-C 111.155 -0.778 . . . . 0.0 111.155 -178.86 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 35' ' ' GLN . . . . . . . . . . . . . 72.5 tp60 -70.5 109.63 4.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.856 0.36 . . . . 0.0 111.18 178.754 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 36' ' ' THR . . . . . . . . . . . . . 11.7 t -145.68 145.46 25.67 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.225 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 81.6 Cg_exo -53.59 133.37 53.45 Favored 'Trans proline' 0 N--CA 1.457 -0.645 0 C-N-CA 121.716 1.61 . . . . 0.0 111.173 -179.862 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 66.7 t0 -95.53 94.95 8.07 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.218 177.285 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 39' ' ' TYR . . . . . . . . . . . . . 24.0 m-85 -114.01 38.47 2.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.137 176.656 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 40' ' ' LEU . . . . . 0.59 ' N ' ' CD ' ' B' ' 41' ' ' PRO . 88.2 mt -67.65 -40.76 26.69 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.197 170.188 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 41' ' ' PRO . . . . . 0.59 ' CD ' ' N ' ' B' ' 40' ' ' LEU . 78.1 Cg_exo -54.89 -31.91 75.39 Favored 'Trans proline' 0 N--CA 1.458 -0.615 0 C-N-CA 121.703 1.602 . . . . 0.0 111.218 173.757 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 96.9 m -70.28 -40.52 74.27 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.223 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 96.0 mt -62.45 -34.94 77.78 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.223 174.134 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 44' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -66.09 -39.97 90.44 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.187 175.549 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 45' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -73.46 -34.4 65.37 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.184 178.633 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . . . -60.42 -49.36 77.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.197 175.569 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 84.7 mt -67.3 -36.95 82.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.197 177.336 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 48' ' ' MET . . . . . . . . . . . . . 62.4 ttp -52.02 -52.38 51.2 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.262 177.821 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 99.7 mt-10 -70.07 -37.48 75.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.195 -175.197 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 50' ' ' VAL . . . . . . . . . . . . . 74.2 t -75.29 -49.04 29.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.138 -177.891 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 51' ' ' LEU . . . . . 0.451 ' HA ' ' HB3' ' B' ' 54' ' ' TYR . 85.9 mt -65.51 -31.67 72.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.207 -174.09 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 39.0 t -55.1 -45.32 75.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.185 179.864 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -84.72 -28.72 26.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.164 179.208 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 54' ' ' TYR . . . . . 0.451 ' HB3' ' HA ' ' B' ' 51' ' ' LEU . 84.5 t80 -67.58 -47.76 68.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.17 179.585 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 55' ' ' VAL . . . . . 0.463 ' O ' HG12 ' B' ' 55' ' ' VAL . 99.6 t -93.56 -10.92 9.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.195 178.935 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 56' ' ' ASN . . . . . . . . . . . . . 63.8 t30 63.38 47.76 3.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.189 -178.224 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 35.6 m -139.65 166.19 21.36 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.248 176.873 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 58' ' ' SER . . . . . . . . . . . . . 60.5 p -85.36 179.25 7.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.216 176.449 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 52.1 tp -62.72 -22.68 66.71 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.223 178.042 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 98.2 m-20 -65.1 -20.55 66.52 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.207 -175.727 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 61' ' ' ASN . . . . . . . . . . . . . 68.3 m-80 -98.1 15.45 24.19 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.22 179.557 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 62' ' ' ILE . . . . . . . . . . . . . 87.7 mt -119.16 124.66 73.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.193 177.608 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 63' ' ' ARG . . . . . . . . . . . . . 75.5 ttt180 -119.64 121.73 39.95 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.19 177.209 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 64' ' ' ILE . . . . . . . . . . . . . 84.5 mt -120.94 132.27 70.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.22 -173.74 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 48.4 t -152.06 143.28 23.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.225 175.825 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 24.7 pt20 -125.53 154.35 42.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.184 -171.927 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 87.6 tt0 -151.03 133.55 15.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.126 175.037 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 68' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -98.99 115.44 28.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.187 -178.185 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 69' ' ' GLN . . . . . . . . . . . . . 68.6 mm-40 -133.76 144.51 49.1 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.168 177.228 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 78.6 m-20 60.53 26.42 16.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.21 179.796 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 71' ' ' GLY . . . . . . . . . . . . . . . 75.09 32.01 56.9 Favored Glycine 0 CA--C 1.522 0.506 0 N-CA-C 111.187 -0.765 . . . . 0.0 111.187 178.516 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 72' ' ' MET . . . . . . . . . . . . . 59.7 ttm -142.62 117.88 10.17 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.787 0.327 . . . . 0.0 111.184 -178.567 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 73' ' ' ASP . . . . . . . . . . . . . 66.2 t0 -85.93 111.89 20.67 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.24 -176.863 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 74' ' ' VAL . . . . . . . . . . . . . 97.5 t -106.85 124.31 62.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.202 -172.892 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 75' ' ' LEU . . . . . 0.408 ' N ' HD12 ' B' ' 75' ' ' LEU . 8.3 mp -102.47 127.9 49.31 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.185 179.821 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 65.1 tt0 -113.4 120.4 40.93 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.182 -179.376 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 77' ' ' LEU . . . . . 0.474 ' C ' HD23 ' B' ' 77' ' ' LEU . 9.7 tt -114.94 121.02 41.88 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.189 178.181 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 78' ' ' ASN . . . . . . . . . . . . . 73.3 m-80 -113.24 120.92 42.86 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.196 178.275 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 79' ' ' ILE . . . . . . . . . . . . . 19.1 tt -129.7 136.9 58.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.166 -178.041 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 80' ' ' THR . . . . . . . . . . . . . 85.1 m -131.35 139.07 49.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.215 -174.306 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 50.7 tp . . . . . 0 C--O 1.2 -1.526 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.278 178.65 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 75.7 p . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.812 0.339 . . . . 0.0 111.232 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 97.7 t -116.12 -49.82 4.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.201 178.764 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -89.9 -167.7 1.93 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.196 -179.421 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -102.61 10.0 39.0 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.176 179.266 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 97.7 m-20 -67.08 151.88 46.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.191 176.464 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 83.1 mtt85 -139.0 146.33 40.76 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.226 -173.556 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 9.3 tt -139.68 138.62 36.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.182 174.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 47.3 tt0 -134.88 136.88 42.73 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.207 -176.635 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.443 ' HB ' ' HB3' ' A' ' 77' ' ' LEU . 79.8 mt -122.19 123.58 69.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.183 177.086 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 82.1 mt -122.11 115.98 47.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.174 178.652 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 70.8 mt -128.39 130.51 69.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.23 -177.77 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -137.6 151.54 48.44 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.172 -179.257 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 33.0 tt0 -140.51 130.06 24.12 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.167 176.675 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.408 ' HA ' ' HB3' ' A' ' 72' ' ' MET . 86.2 tt0 -64.73 120.57 12.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.203 174.347 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 73.7 mtp180 -142.77 37.57 1.46 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.159 -171.439 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -49.02 163.8 0.08 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.17 173.85 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 73.4 tp60 -54.28 -31.73 54.49 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.211 -174.776 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 99.3 mt-10 -64.12 -39.45 94.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.188 177.896 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -65.57 145.6 48.72 Favored Glycine 0 CA--C 1.523 0.566 0 N-CA-C 111.2 -0.76 . . . . 0.0 111.2 178.635 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 97.1 mm-40 -124.22 30.74 5.98 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.819 0.342 . . . . 0.0 111.23 -174.674 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 82.4 p -81.13 149.29 65.9 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.218 -176.615 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 73.8 Cg_endo -80.34 169.18 17.58 Favored 'Trans proline' 0 N--CA 1.459 -0.55 0 C-N-CA 121.697 1.598 . . . . 0.0 111.127 178.736 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 99.5 m-20 -63.03 137.55 58.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.211 177.518 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 13.8 p90 -127.14 -24.86 3.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.169 -171.462 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.572 ' N ' ' CD ' ' A' ' 41' ' ' PRO . 85.3 mt -75.32 -41.36 3.81 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.202 -173.819 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . 0.572 ' CD ' ' N ' ' A' ' 40' ' ' LEU . 99.1 Cg_exo -51.57 -40.09 64.37 Favored 'Trans proline' 0 N--CA 1.458 -0.6 0 C-N-CA 121.742 1.628 . . . . 0.0 111.199 178.105 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 98.7 m -73.77 -48.03 34.59 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.237 179.111 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 88.6 mt -64.49 -38.2 90.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.144 -178.117 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 59.8 ttp180 -52.98 -60.61 3.06 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.184 175.467 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -61.65 -37.69 84.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.206 -179.757 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . . . -67.03 -51.24 57.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.203 -178.363 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 89.4 mt -67.95 -38.07 82.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.169 -176.051 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 95.5 mtp -68.27 -34.23 75.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.212 177.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -64.88 -43.86 91.54 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.161 174.25 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 53.7 t -65.0 -45.59 94.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.19 178.638 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 88.5 mt -68.41 -32.85 73.19 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.204 179.865 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 46.6 t -57.97 -42.22 84.58 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.205 175.89 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -86.26 -26.13 25.16 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.18 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 17.2 t80 -64.25 -49.29 72.48 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.168 -176.561 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 19.3 m -122.43 15.44 5.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.19 -178.911 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 86.9 m-20 59.64 62.29 1.77 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.212 170.054 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 35.4 m -132.54 162.74 39.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.223 179.644 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 54.1 p -82.04 178.86 8.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.152 177.776 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 92.4 mt -79.1 -11.35 59.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.165 177.382 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 91.2 m-20 -86.99 -3.69 59.11 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.17 175.711 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 32.8 m120 -96.4 8.97 42.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.222 177.227 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 87.1 mt -128.62 134.3 64.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.237 -179.75 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 79.4 ttt180 -103.63 120.31 40.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.257 -177.208 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 49.8 mm -109.35 124.59 66.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.217 -179.631 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 45.8 t -121.53 93.82 4.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.148 175.323 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 61.7 tt0 -98.41 129.93 45.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.194 -179.378 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 25.4 pt-20 -154.66 164.95 37.99 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.21 179.641 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -105.11 109.92 22.1 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.194 177.221 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 72.7 tp60 -88.0 103.07 15.36 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.177 176.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 74.2 m-20 55.39 -112.58 0.72 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.203 -179.32 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -104.6 30.92 9.23 Favored Glycine 0 CA--C 1.523 0.552 0 N-CA-C 111.212 -0.755 . . . . 0.0 111.212 -175.907 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . 0.408 ' HB3' ' HA ' ' A' ' 29' ' ' GLU . 25.6 ptp -152.85 162.05 41.78 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.829 0.347 . . . . 0.0 111.209 177.428 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 79.2 m-20 -107.24 147.27 30.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.207 178.764 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 9.5 p -146.22 141.09 21.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.254 -178.234 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 10.2 tt -131.28 130.78 43.24 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.233 178.885 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 58.9 tt0 -108.71 124.6 50.8 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.254 178.409 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.526 ' C ' HD23 ' A' ' 77' ' ' LEU . 8.8 tt -115.23 118.63 33.83 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.186 -179.273 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 76.3 m-20 -114.91 128.79 56.49 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.255 179.63 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 18.5 tt -135.08 141.55 42.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.207 177.796 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 97.4 m -99.62 129.59 45.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.202 178.619 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 7.2 mp . . . . . 0 C--O 1.199 -1.565 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.172 -177.58 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 16' ' ' THR . . . . . . . . . . . . . 75.7 p . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.812 0.339 . . . . 0.0 111.232 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 97.7 t -116.12 -49.82 4.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.201 178.764 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -89.9 -167.7 1.93 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.196 -179.421 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -102.61 10.0 39.0 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.176 179.266 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 97.7 m-20 -67.08 151.88 46.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.191 176.464 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 21' ' ' ARG . . . . . . . . . . . . . 83.1 mtt85 -139.0 146.33 40.76 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.226 -173.556 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 9.3 tt -139.68 138.62 36.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.182 174.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 47.3 tt0 -134.88 136.88 42.73 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.207 -176.635 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 24' ' ' ILE . . . . . 0.432 ' HB ' ' HB3' ' B' ' 77' ' ' LEU . 79.8 mt -122.19 123.58 69.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.183 177.086 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 25' ' ' ILE . . . . . . . . . . . . . 82.1 mt -122.11 115.98 47.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.174 178.652 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 70.8 mt -128.39 130.51 69.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.23 -177.77 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -137.6 151.54 48.44 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.172 -179.257 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 28' ' ' GLN . . . . . . . . . . . . . 33.0 tt0 -140.51 130.06 24.12 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.167 176.675 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 29' ' ' GLU . . . . . 0.405 ' HA ' ' HB3' ' B' ' 72' ' ' MET . 86.2 tt0 -64.73 120.57 12.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.203 174.347 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 73.7 mtp180 -142.77 37.57 1.46 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.159 -171.439 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -49.02 163.8 0.08 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.17 173.85 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 73.4 tp60 -54.28 -31.73 54.49 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.211 -174.776 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 99.3 mt-10 -64.12 -39.45 94.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.188 177.896 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -65.57 145.6 48.72 Favored Glycine 0 CA--C 1.523 0.566 0 N-CA-C 111.2 -0.76 . . . . 0.0 111.2 178.635 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 35' ' ' GLN . . . . . . . . . . . . . 97.1 mm-40 -124.22 30.74 5.98 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.819 0.342 . . . . 0.0 111.23 -174.674 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 36' ' ' THR . . . . . . . . . . . . . 82.4 p -81.13 149.29 65.9 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.218 -176.615 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 73.8 Cg_endo -80.34 169.18 17.58 Favored 'Trans proline' 0 N--CA 1.459 -0.55 0 C-N-CA 121.697 1.598 . . . . 0.0 111.127 178.736 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 99.5 m-20 -63.03 137.55 58.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.211 177.518 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 39' ' ' TYR . . . . . . . . . . . . . 13.8 p90 -127.14 -24.86 3.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.169 -171.462 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 40' ' ' LEU . . . . . 0.578 ' N ' ' CD ' ' B' ' 41' ' ' PRO . 85.3 mt -75.32 -41.36 3.81 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.202 -173.819 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 41' ' ' PRO . . . . . 0.578 ' CD ' ' N ' ' B' ' 40' ' ' LEU . 99.1 Cg_exo -51.57 -40.09 64.37 Favored 'Trans proline' 0 N--CA 1.458 -0.6 0 C-N-CA 121.742 1.628 . . . . 0.0 111.199 178.105 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 98.7 m -73.77 -48.03 34.59 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.237 179.111 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 88.6 mt -64.49 -38.2 90.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.144 -178.117 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 44' ' ' ARG . . . . . . . . . . . . . 59.8 ttp180 -52.98 -60.61 3.06 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.184 175.467 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 45' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -61.65 -37.69 84.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.206 -179.757 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . . . -67.03 -51.24 57.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.203 -178.363 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 89.4 mt -67.95 -38.07 82.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.169 -176.051 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 48' ' ' MET . . . . . . . . . . . . . 95.5 mtp -68.27 -34.23 75.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.212 177.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -64.88 -43.86 91.54 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.161 174.25 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 50' ' ' VAL . . . . . . . . . . . . . 53.7 t -65.0 -45.59 94.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.19 178.638 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 88.5 mt -68.41 -32.85 73.19 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.204 179.865 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 46.6 t -57.97 -42.22 84.58 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.205 175.89 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -86.26 -26.13 25.16 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.18 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 17.2 t80 -64.25 -49.29 72.48 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.168 -176.561 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 55' ' ' VAL . . . . . . . . . . . . . 19.3 m -122.43 15.44 5.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.19 -178.911 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 56' ' ' ASN . . . . . . . . . . . . . 86.9 m-20 59.64 62.29 1.77 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.212 170.054 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 35.4 m -132.54 162.74 39.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.223 179.644 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 58' ' ' SER . . . . . . . . . . . . . 54.1 p -82.04 178.86 8.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.152 177.776 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 92.4 mt -79.1 -11.35 59.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.165 177.382 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 91.2 m-20 -86.99 -3.69 59.11 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.17 175.711 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 61' ' ' ASN . . . . . . . . . . . . . 32.8 m120 -96.4 8.97 42.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.222 177.227 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 62' ' ' ILE . . . . . . . . . . . . . 87.1 mt -128.62 134.3 64.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.237 -179.75 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 63' ' ' ARG . . . . . . . . . . . . . 79.4 ttt180 -103.63 120.31 40.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.257 -177.208 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 64' ' ' ILE . . . . . . . . . . . . . 49.8 mm -109.35 124.59 66.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.217 -179.631 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 45.8 t -121.53 93.82 4.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.148 175.323 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 61.7 tt0 -98.41 129.93 45.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.194 -179.378 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 25.4 pt-20 -154.66 164.95 37.99 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.21 179.641 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 68' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -105.11 109.92 22.1 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.194 177.221 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 69' ' ' GLN . . . . . . . . . . . . . 72.7 tp60 -88.0 103.07 15.36 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.177 176.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 74.2 m-20 55.39 -112.58 0.72 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.203 -179.32 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 71' ' ' GLY . . . . . . . . . . . . . . . -104.6 30.92 9.23 Favored Glycine 0 CA--C 1.523 0.552 0 N-CA-C 111.212 -0.755 . . . . 0.0 111.212 -175.907 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 72' ' ' MET . . . . . 0.405 ' HB3' ' HA ' ' B' ' 29' ' ' GLU . 25.6 ptp -152.85 162.05 41.78 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.829 0.347 . . . . 0.0 111.209 177.428 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 73' ' ' ASP . . . . . . . . . . . . . 79.2 m-20 -107.24 147.27 30.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.207 178.764 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 74' ' ' VAL . . . . . . . . . . . . . 9.5 p -146.22 141.09 21.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.254 -178.234 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 75' ' ' LEU . . . . . . . . . . . . . 10.2 tt -131.28 130.78 43.24 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.233 178.885 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 58.9 tt0 -108.71 124.6 50.8 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.254 178.409 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 77' ' ' LEU . . . . . 0.514 ' C ' HD23 ' B' ' 77' ' ' LEU . 8.8 tt -115.23 118.63 33.83 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.186 -179.273 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 78' ' ' ASN . . . . . . . . . . . . . 76.3 m-20 -114.91 128.79 56.49 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.255 179.63 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 79' ' ' ILE . . . . . . . . . . . . . 18.5 tt -135.08 141.55 42.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.207 177.796 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 80' ' ' THR . . . . . . . . . . . . . 97.4 m -99.62 129.59 45.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.202 178.619 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 7.2 mp . . . . . 0 C--O 1.199 -1.565 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.172 -177.58 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 71.4 p . . . . . 0 C--O 1.23 0.078 0 CA-C-O 120.803 0.335 . . . . 0.0 111.213 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 70.5 t -65.9 -39.74 85.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.225 -177.385 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -67.1 -29.54 69.32 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.232 -175.293 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 42.6 mmt180 -94.29 -47.27 6.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.22 -173.386 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 95.5 m-20 -68.35 147.88 51.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.183 177.799 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 18.0 ptp180 -157.17 165.11 36.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.169 -174.296 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 81.5 mt -98.82 144.21 28.3 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.249 172.388 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 32.6 tt0 -128.77 117.88 21.86 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.243 179.818 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.409 HG22 HG13 ' A' ' 26' ' ' ILE . 4.8 mp -118.07 123.71 72.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.184 178.782 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 80.5 mt -112.54 109.93 30.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.202 177.56 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.409 HG13 HG22 ' A' ' 24' ' ' ILE . 85.6 mt -109.93 114.42 46.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.2 -176.809 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -107.65 125.84 51.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.156 -178.784 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 40.9 tt0 -109.35 110.02 21.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.241 170.893 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 65.2 mt-10 -69.65 159.22 33.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.206 -174.919 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 79.4 ttt180 -50.53 123.77 9.42 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.182 -175.191 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -67.79 141.17 56.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.216 172.279 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 90.9 mm-40 -96.74 -1.81 45.66 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.217 -177.213 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 26.7 pt-20 -156.11 165.18 37.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.201 -173.432 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -94.11 8.38 72.85 Favored Glycine 0 CA--C 1.523 0.59 0 N-CA-C 111.165 -0.774 . . . . 0.0 111.165 174.808 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 99.9 mm-40 -98.23 5.63 48.22 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.803 0.335 . . . . 0.0 111.219 179.215 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 97.8 m -120.9 99.66 46.78 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.189 175.144 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 74.7 Cg_exo -59.93 147.55 92.26 Favored 'Trans proline' 0 N--CA 1.458 -0.561 0 C-N-CA 121.719 1.612 . . . . 0.0 111.141 -177.239 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 86.8 m-20 -55.03 136.38 47.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.207 168.727 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 29.1 m-85 -117.14 -30.13 5.73 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.235 -174.167 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.582 ' HB3' ' HD3' ' A' ' 41' ' ' PRO . 10.1 tt -53.08 -44.91 98.24 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.222 -177.904 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . 0.582 ' HD3' ' HB3' ' A' ' 40' ' ' LEU . 78.9 Cg_exo -50.4 -42.39 48.43 Favored 'Trans proline' 0 N--CA 1.458 -0.579 0 C-N-CA 121.671 1.58 . . . . 0.0 111.217 178.506 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 77.4 p -83.57 -26.76 29.78 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.212 -176.234 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 95.2 mt -73.21 -30.8 63.76 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.187 177.089 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 69.8 ttp85 -62.44 -60.71 3.15 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.179 173.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -58.19 -39.26 78.48 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.205 -178.081 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . . . -67.36 -43.18 82.12 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.195 -179.8 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 51.0 tp -66.52 -41.76 88.32 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.195 178.262 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 94.6 mtp -59.93 -33.52 71.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.218 177.798 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -61.68 -46.98 87.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.217 176.709 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 29.4 m -87.44 -17.7 8.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.202 -174.678 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.464 ' O ' ' HB ' ' A' ' 55' ' ' VAL . 34.0 mt -64.49 -51.53 62.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.199 167.882 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 33.1 t -60.93 -34.9 75.42 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.163 175.605 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 83.7 tttt -71.02 -54.7 10.28 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.207 -173.898 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 47.1 m-85 -90.76 -33.42 15.74 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.184 -166.322 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.501 ' O ' HG12 ' A' ' 55' ' ' VAL . 94.5 t -81.91 -9.38 11.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.179 -172.347 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 76.9 m-20 62.28 61.68 1.26 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.233 -175.66 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 10.6 p -151.42 149.47 14.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.209 -171.461 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 59.5 p -87.01 170.75 11.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.223 179.674 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 97.0 mt -76.93 -23.13 52.45 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.156 -179.665 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 98.0 m-20 -68.89 -17.51 63.99 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.212 177.377 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 48.3 m-80 -96.72 13.11 29.54 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.195 179.703 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 77.0 mt -108.93 118.29 56.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.184 175.633 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 79.8 ttt180 -96.52 127.57 42.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.146 178.86 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 81.1 mt -114.79 116.53 52.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.214 -175.888 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 43.5 t -142.58 126.82 17.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.158 175.604 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 42.9 mt-30 -103.85 156.64 17.67 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.224 -179.225 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 71.2 tt0 -136.53 128.24 28.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.162 178.785 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -84.51 127.57 34.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.22 -179.275 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 79.2 mm-40 -127.79 76.18 1.66 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.176 172.794 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 93.2 m-20 63.41 -100.67 0.09 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.234 -178.488 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -108.69 9.58 34.88 Favored Glycine 0 CA--C 1.523 0.587 0 N-CA-C 111.19 -0.764 . . . . 0.0 111.19 -178.431 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 65.8 ttp -111.32 120.96 43.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.844 0.354 . . . . 0.0 111.194 178.451 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 62.2 t0 -94.72 113.79 25.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.166 178.888 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 95.9 t -105.58 126.85 60.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.187 -174.73 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 48.5 tp -108.82 126.75 53.37 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.241 176.453 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 67.4 tt0 -110.25 118.3 35.97 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.162 175.419 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 85.7 mt -113.39 126.88 55.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.219 177.425 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 72.6 m-80 -120.41 113.31 20.15 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.207 177.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 5.2 mp -118.82 128.07 75.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.204 -170.9 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 91.4 m -53.6 118.4 3.87 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.219 178.023 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 54.4 tp . . . . . 0 C--O 1.199 -1.555 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.201 -176.91 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 16' ' ' THR . . . . . . . . . . . . . 71.4 p . . . . . 0 C--O 1.23 0.078 0 CA-C-O 120.803 0.335 . . . . 0.0 111.213 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 70.5 t -65.9 -39.74 85.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.225 -177.385 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -67.1 -29.54 69.32 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.232 -175.293 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 42.6 mmt180 -94.29 -47.27 6.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.22 -173.386 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 95.5 m-20 -68.35 147.88 51.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.183 177.799 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 21' ' ' ARG . . . . . . . . . . . . . 18.0 ptp180 -157.17 165.11 36.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.169 -174.296 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 81.5 mt -98.82 144.21 28.3 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.249 172.388 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 32.6 tt0 -128.77 117.88 21.86 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.243 179.818 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 24' ' ' ILE . . . . . 0.4 HG22 HG13 ' B' ' 26' ' ' ILE . 4.8 mp -118.07 123.71 72.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.184 178.782 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 25' ' ' ILE . . . . . . . . . . . . . 80.5 mt -112.54 109.93 30.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.202 177.56 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 26' ' ' ILE . . . . . 0.4 HG13 HG22 ' B' ' 24' ' ' ILE . 85.6 mt -109.93 114.42 46.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.2 -176.809 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -107.65 125.84 51.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.156 -178.784 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 28' ' ' GLN . . . . . . . . . . . . . 40.9 tt0 -109.35 110.02 21.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.241 170.893 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 65.2 mt-10 -69.65 159.22 33.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.206 -174.919 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 79.4 ttt180 -50.53 123.77 9.42 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.182 -175.191 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -67.79 141.17 56.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.216 172.279 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 90.9 mm-40 -96.74 -1.81 45.66 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.217 -177.213 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 26.7 pt-20 -156.11 165.18 37.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.201 -173.432 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -94.11 8.38 72.85 Favored Glycine 0 CA--C 1.523 0.59 0 N-CA-C 111.165 -0.774 . . . . 0.0 111.165 174.808 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 35' ' ' GLN . . . . . . . . . . . . . 99.9 mm-40 -98.23 5.63 48.22 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.803 0.335 . . . . 0.0 111.219 179.215 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 36' ' ' THR . . . . . . . . . . . . . 97.8 m -120.9 99.66 46.78 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.189 175.144 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 74.7 Cg_exo -59.93 147.55 92.26 Favored 'Trans proline' 0 N--CA 1.458 -0.561 0 C-N-CA 121.719 1.612 . . . . 0.0 111.141 -177.239 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 86.8 m-20 -55.03 136.38 47.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.207 168.727 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 39' ' ' TYR . . . . . . . . . . . . . 29.1 m-85 -117.14 -30.13 5.73 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.235 -174.167 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 40' ' ' LEU . . . . . 0.573 ' HB3' ' HD3' ' B' ' 41' ' ' PRO . 10.1 tt -53.08 -44.91 98.24 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.222 -177.904 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 41' ' ' PRO . . . . . 0.573 ' HD3' ' HB3' ' B' ' 40' ' ' LEU . 78.9 Cg_exo -50.4 -42.39 48.43 Favored 'Trans proline' 0 N--CA 1.458 -0.579 0 C-N-CA 121.671 1.58 . . . . 0.0 111.217 178.506 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 77.4 p -83.57 -26.76 29.78 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.212 -176.234 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 95.2 mt -73.21 -30.8 63.76 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.187 177.089 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 44' ' ' ARG . . . . . . . . . . . . . 69.8 ttp85 -62.44 -60.71 3.15 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.179 173.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 45' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -58.19 -39.26 78.48 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.205 -178.081 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . . . -67.36 -43.18 82.12 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.195 -179.8 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 51.0 tp -66.52 -41.76 88.32 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.195 178.262 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 48' ' ' MET . . . . . . . . . . . . . 94.6 mtp -59.93 -33.52 71.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.218 177.798 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -61.68 -46.98 87.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.217 176.709 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 50' ' ' VAL . . . . . . . . . . . . . 29.4 m -87.44 -17.7 8.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.202 -174.678 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 51' ' ' LEU . . . . . 0.466 ' O ' ' HB ' ' B' ' 55' ' ' VAL . 34.0 mt -64.49 -51.53 62.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.199 167.882 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 33.1 t -60.93 -34.9 75.42 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.163 175.605 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 83.7 tttt -71.02 -54.7 10.28 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.207 -173.898 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 47.1 m-85 -90.76 -33.42 15.74 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.184 -166.322 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 55' ' ' VAL . . . . . 0.494 ' O ' HG12 ' B' ' 55' ' ' VAL . 94.5 t -81.91 -9.38 11.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.179 -172.347 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 56' ' ' ASN . . . . . . . . . . . . . 76.9 m-20 62.28 61.68 1.26 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.233 -175.66 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 10.6 p -151.42 149.47 14.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.209 -171.461 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 58' ' ' SER . . . . . . . . . . . . . 59.5 p -87.01 170.75 11.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.223 179.674 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 97.0 mt -76.93 -23.13 52.45 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.156 -179.665 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 98.0 m-20 -68.89 -17.51 63.99 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.212 177.377 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 61' ' ' ASN . . . . . . . . . . . . . 48.3 m-80 -96.72 13.11 29.54 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.195 179.703 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 62' ' ' ILE . . . . . . . . . . . . . 77.0 mt -108.93 118.29 56.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.184 175.633 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 63' ' ' ARG . . . . . . . . . . . . . 79.8 ttt180 -96.52 127.57 42.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.146 178.86 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 64' ' ' ILE . . . . . . . . . . . . . 81.1 mt -114.79 116.53 52.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.214 -175.888 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 43.5 t -142.58 126.82 17.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.158 175.604 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 42.9 mt-30 -103.85 156.64 17.67 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.224 -179.225 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 71.2 tt0 -136.53 128.24 28.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.162 178.785 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 68' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -84.51 127.57 34.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.22 -179.275 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 69' ' ' GLN . . . . . . . . . . . . . 79.2 mm-40 -127.79 76.18 1.66 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.176 172.794 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 93.2 m-20 63.41 -100.67 0.09 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.234 -178.488 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 71' ' ' GLY . . . . . . . . . . . . . . . -108.69 9.58 34.88 Favored Glycine 0 CA--C 1.523 0.587 0 N-CA-C 111.19 -0.764 . . . . 0.0 111.19 -178.431 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 72' ' ' MET . . . . . . . . . . . . . 65.8 ttp -111.32 120.96 43.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.844 0.354 . . . . 0.0 111.194 178.451 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 73' ' ' ASP . . . . . . . . . . . . . 62.2 t0 -94.72 113.79 25.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.166 178.888 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 74' ' ' VAL . . . . . . . . . . . . . 95.9 t -105.58 126.85 60.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.187 -174.73 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 75' ' ' LEU . . . . . . . . . . . . . 48.5 tp -108.82 126.75 53.37 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.241 176.453 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 67.4 tt0 -110.25 118.3 35.97 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.162 175.419 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 85.7 mt -113.39 126.88 55.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.219 177.425 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 78' ' ' ASN . . . . . . . . . . . . . 72.6 m-80 -120.41 113.31 20.15 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.207 177.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 79' ' ' ILE . . . . . . . . . . . . . 5.2 mp -118.82 128.07 75.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.204 -170.9 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 80' ' ' THR . . . . . . . . . . . . . 91.4 m -53.6 118.4 3.87 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.219 178.023 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 54.4 tp . . . . . 0 C--O 1.199 -1.555 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.201 -176.91 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 59.1 p . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.83 0.347 . . . . 0.0 111.187 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 34.1 m -127.8 163.86 30.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.112 -179.221 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -159.17 172.59 17.79 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.206 -179.152 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -70.75 -21.51 62.52 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.199 179.018 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 65.5 t0 -75.63 109.8 9.5 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.24 176.316 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 82.9 mtm180 -136.65 157.46 46.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.165 179.859 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 62.1 mt -117.76 145.92 44.15 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.227 178.025 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 36.2 tt0 -141.17 117.71 10.88 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.159 179.904 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 4.9 mp -120.69 118.94 58.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.198 -179.58 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 87.0 mt -109.49 121.78 63.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.196 -178.559 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 80.2 mt -107.31 114.32 45.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.214 -178.072 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -103.48 138.59 39.99 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.204 -177.718 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 86.9 mt-30 -125.1 121.64 34.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.19 175.481 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 95.5 mt-10 -81.53 163.57 22.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.182 177.596 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 47.0 mtp180 59.99 56.41 3.42 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.16 -174.336 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -86.99 163.52 17.03 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.243 -176.9 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 65.2 mt-30 59.1 34.89 23.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.174 -179.868 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -129.34 168.1 16.75 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.242 176.922 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -76.16 -9.03 85.62 Favored Glycine 0 CA--C 1.523 0.57 0 N-CA-C 111.2 -0.76 . . . . 0.0 111.2 171.359 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 99.9 mm-40 -98.9 0.32 43.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.734 0.302 . . . . 0.0 111.125 177.785 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 93.6 m -62.57 129.78 92.98 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.183 179.536 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 86.1 Cg_exo -52.73 136.21 58.15 Favored 'Trans proline' 0 N--CA 1.457 -0.636 0 C-N-CA 121.662 1.575 . . . . 0.0 111.232 178.119 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 52.2 p-10 -112.27 41.1 2.06 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.212 178.502 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 62.9 m-85 -116.33 3.67 13.37 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.244 -172.699 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.563 ' N ' ' CD ' ' A' ' 41' ' ' PRO . 43.3 tp -68.23 -41.52 25.78 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.224 -178.069 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . 0.563 ' CD ' ' N ' ' A' ' 40' ' ' LEU . 92.7 Cg_exo -51.67 -35.25 56.81 Favored 'Trans proline' 0 N--CA 1.459 -0.533 0 C-N-CA 121.628 1.552 . . . . 0.0 111.188 177.609 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 92.5 m -80.02 -41.91 24.83 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.231 -177.851 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 79.4 mt -61.87 -37.36 84.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.186 176.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 68.3 ttp85 -59.53 -50.67 72.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.183 174.35 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -63.49 -35.16 79.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.259 177.818 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . . . -62.43 -47.57 83.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.181 179.819 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 88.8 mt -69.45 -50.87 41.51 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.189 -179.568 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 98.0 mtp -58.52 -34.39 70.92 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.173 -175.038 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 89.1 tt0 -61.48 -53.34 57.73 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.17 178.417 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 33.3 m -82.34 -28.71 9.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.226 -170.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 84.7 mt -66.67 -40.15 88.47 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.221 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 92.0 p -66.71 -23.21 66.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.223 179.578 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -83.03 -27.38 30.37 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.207 178.859 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 22.4 m-30 -69.37 -37.83 77.76 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.205 -176.742 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 35.6 m -119.52 3.54 6.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.289 -175.377 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 86.9 m-20 58.02 61.56 2.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.204 173.763 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 32.3 m -131.32 167.66 25.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.193 175.814 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 84.7 p -74.41 169.14 18.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.138 172.416 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 96.8 mt -74.86 -15.91 60.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.26 179.795 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -71.41 -12.24 61.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.226 175.701 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 61.7 m-80 -95.19 17.05 14.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.203 178.492 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 85.9 mt -118.35 129.01 75.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.203 174.915 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . 0.409 ' HB3' ' HB2' ' A' ' 78' ' ' ASN . 79.7 ttt180 -96.19 124.69 40.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.146 -177.733 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 46.0 mm -109.98 102.94 14.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.156 -178.082 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 39.2 t -110.89 111.84 23.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.208 -175.541 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 68.9 tp60 -101.26 122.29 43.42 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.206 179.087 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -127.89 147.97 50.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.161 176.908 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -113.93 102.89 10.63 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.174 -177.386 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 96.0 mm-40 -88.88 59.92 5.26 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.14 178.074 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 90.5 m-20 63.1 -102.8 0.11 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.212 178.716 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -87.44 1.17 85.82 Favored Glycine 0 CA--C 1.522 0.528 0 N-CA-C 111.2 -0.76 . . . . 0.0 111.2 -175.702 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 68.1 ttp -131.42 130.36 42.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.773 0.32 . . . . 0.0 111.208 174.355 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 97.9 m-20 -105.44 138.04 42.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.218 174.099 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 34.8 m -124.65 147.53 29.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.173 -177.126 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 53.6 tp -131.41 115.79 16.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.219 177.614 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -102.0 122.9 44.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.177 -175.339 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 6.0 mp -112.46 112.37 23.87 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.244 -179.152 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . 0.409 ' HB2' ' HB3' ' A' ' 63' ' ' ARG . 72.7 m-80 -106.46 135.3 48.21 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.204 -179.371 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 21.6 tt -140.7 145.09 26.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.198 174.146 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 95.8 m -118.45 132.78 56.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.198 -171.258 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 55.1 tp . . . . . 0 C--O 1.199 -1.568 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.213 175.836 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 16' ' ' THR . . . . . . . . . . . . . 59.1 p . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.83 0.347 . . . . 0.0 111.187 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 34.1 m -127.8 163.86 30.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.112 -179.221 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -159.17 172.59 17.79 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.206 -179.152 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -70.75 -21.51 62.52 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.199 179.018 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 65.5 t0 -75.63 109.8 9.5 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.24 176.316 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 21' ' ' ARG . . . . . . . . . . . . . 82.9 mtm180 -136.65 157.46 46.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.165 179.859 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 62.1 mt -117.76 145.92 44.15 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.227 178.025 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 36.2 tt0 -141.17 117.71 10.88 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.159 179.904 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 24' ' ' ILE . . . . . 0.402 HD13 HD11 ' B' ' 51' ' ' LEU . 4.9 mp -120.69 118.94 58.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.198 -179.58 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 25' ' ' ILE . . . . . . . . . . . . . 87.0 mt -109.49 121.78 63.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.196 -178.559 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 80.2 mt -107.31 114.32 45.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.214 -178.072 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -103.48 138.59 39.99 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.204 -177.718 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 28' ' ' GLN . . . . . . . . . . . . . 86.9 mt-30 -125.1 121.64 34.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.19 175.481 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 95.5 mt-10 -81.53 163.57 22.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.182 177.596 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 47.0 mtp180 59.99 56.41 3.42 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.16 -174.336 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -86.99 163.52 17.03 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.243 -176.9 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 65.2 mt-30 59.1 34.89 23.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.174 -179.868 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -129.34 168.1 16.75 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.242 176.922 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -76.16 -9.03 85.62 Favored Glycine 0 CA--C 1.523 0.57 0 N-CA-C 111.2 -0.76 . . . . 0.0 111.2 171.359 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 35' ' ' GLN . . . . . . . . . . . . . 99.9 mm-40 -98.9 0.32 43.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.734 0.302 . . . . 0.0 111.125 177.785 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 36' ' ' THR . . . . . . . . . . . . . 93.6 m -62.57 129.78 92.98 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.183 179.536 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 86.1 Cg_exo -52.73 136.21 58.15 Favored 'Trans proline' 0 N--CA 1.457 -0.636 0 C-N-CA 121.662 1.575 . . . . 0.0 111.232 178.119 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 52.2 p-10 -112.27 41.1 2.06 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.212 178.502 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 39' ' ' TYR . . . . . . . . . . . . . 62.9 m-85 -116.33 3.67 13.37 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.244 -172.699 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 40' ' ' LEU . . . . . 0.576 ' N ' ' CD ' ' B' ' 41' ' ' PRO . 43.3 tp -68.23 -41.52 25.78 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.224 -178.069 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 41' ' ' PRO . . . . . 0.576 ' CD ' ' N ' ' B' ' 40' ' ' LEU . 92.7 Cg_exo -51.67 -35.25 56.81 Favored 'Trans proline' 0 N--CA 1.459 -0.533 0 C-N-CA 121.628 1.552 . . . . 0.0 111.188 177.609 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 92.5 m -80.02 -41.91 24.83 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.231 -177.851 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 79.4 mt -61.87 -37.36 84.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.186 176.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 44' ' ' ARG . . . . . . . . . . . . . 68.3 ttp85 -59.53 -50.67 72.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.183 174.35 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 45' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -63.49 -35.16 79.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.259 177.818 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . . . -62.43 -47.57 83.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.181 179.819 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 88.8 mt -69.45 -50.87 41.51 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.189 -179.568 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 48' ' ' MET . . . . . . . . . . . . . 98.0 mtp -58.52 -34.39 70.92 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.173 -175.038 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 89.1 tt0 -61.48 -53.34 57.73 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.17 178.417 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 50' ' ' VAL . . . . . . . . . . . . . 33.3 m -82.34 -28.71 9.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.226 -170.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 51' ' ' LEU . . . . . 0.402 HD11 HD13 ' B' ' 24' ' ' ILE . 84.7 mt -66.67 -40.15 88.47 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.221 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 92.0 p -66.71 -23.21 66.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.223 179.578 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -83.03 -27.38 30.37 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.207 178.859 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 22.4 m-30 -69.37 -37.83 77.76 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.205 -176.742 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 55' ' ' VAL . . . . . . . . . . . . . 35.6 m -119.52 3.54 6.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.289 -175.377 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 56' ' ' ASN . . . . . . . . . . . . . 86.9 m-20 58.02 61.56 2.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.204 173.763 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 32.3 m -131.32 167.66 25.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.193 175.814 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 58' ' ' SER . . . . . . . . . . . . . 84.7 p -74.41 169.14 18.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.138 172.416 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 96.8 mt -74.86 -15.91 60.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.26 179.795 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -71.41 -12.24 61.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.226 175.701 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 61' ' ' ASN . . . . . . . . . . . . . 61.7 m-80 -95.19 17.05 14.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.203 178.492 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 62' ' ' ILE . . . . . . . . . . . . . 85.9 mt -118.35 129.01 75.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.203 174.915 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 63' ' ' ARG . . . . . 0.41 ' HB3' ' HB2' ' B' ' 78' ' ' ASN . 79.7 ttt180 -96.19 124.69 40.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.146 -177.733 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 64' ' ' ILE . . . . . . . . . . . . . 46.0 mm -109.98 102.94 14.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.156 -178.082 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 39.2 t -110.89 111.84 23.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.208 -175.541 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 68.9 tp60 -101.26 122.29 43.42 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.206 179.087 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -127.89 147.97 50.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.161 176.908 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 68' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -113.93 102.89 10.63 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.174 -177.386 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 69' ' ' GLN . . . . . . . . . . . . . 96.0 mm-40 -88.88 59.92 5.26 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.14 178.074 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 90.5 m-20 63.1 -102.8 0.11 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.212 178.716 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 71' ' ' GLY . . . . . . . . . . . . . . . -87.44 1.17 85.82 Favored Glycine 0 CA--C 1.522 0.528 0 N-CA-C 111.2 -0.76 . . . . 0.0 111.2 -175.702 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 72' ' ' MET . . . . . . . . . . . . . 68.1 ttp -131.42 130.36 42.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.773 0.32 . . . . 0.0 111.208 174.355 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 73' ' ' ASP . . . . . . . . . . . . . 97.9 m-20 -105.44 138.04 42.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.218 174.099 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 74' ' ' VAL . . . . . . . . . . . . . 34.8 m -124.65 147.53 29.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.173 -177.126 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 75' ' ' LEU . . . . . . . . . . . . . 53.6 tp -131.41 115.79 16.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.219 177.614 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -102.0 122.9 44.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.177 -175.339 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 6.0 mp -112.46 112.37 23.87 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.244 -179.152 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 78' ' ' ASN . . . . . 0.41 ' HB2' ' HB3' ' B' ' 63' ' ' ARG . 72.7 m-80 -106.46 135.3 48.21 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.204 -179.371 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 79' ' ' ILE . . . . . . . . . . . . . 21.6 tt -140.7 145.09 26.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.198 174.146 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 80' ' ' THR . . . . . . . . . . . . . 95.8 m -118.45 132.78 56.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.198 -171.258 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 55.1 tp . . . . . 0 C--O 1.199 -1.568 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.213 175.836 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 95.3 m . . . . . 0 C--O 1.231 0.085 0 CA-C-O 120.841 0.353 . . . . 0.0 111.235 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 91.3 t -106.94 128.85 61.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.152 -176.899 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -122.38 179.61 4.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.154 178.44 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -75.33 65.36 1.63 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.233 177.402 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 61.4 t0 -151.96 118.29 5.61 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.198 -176.03 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 85.3 mtp180 -124.24 141.87 51.71 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.189 -176.589 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 5.2 mp -120.09 143.5 48.1 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.205 -179.091 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 92.9 mm-40 -119.94 128.13 53.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.215 171.901 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.495 ' HB ' ' HB2' ' A' ' 77' ' ' LEU . 68.8 mt -114.54 108.36 25.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.17 171.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 43.9 mm -100.4 114.63 39.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.222 -179.288 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 36.0 mm -104.09 100.05 9.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.159 178.43 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -109.17 109.82 20.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.269 -176.638 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 66.3 tt0 -103.43 101.63 11.53 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.214 178.194 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -93.48 133.34 36.86 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.219 -173.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 60.25 54.67 3.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.215 -174.298 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -62.3 116.64 5.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.186 -170.017 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 95.4 mm-40 -106.33 -39.26 5.97 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.155 176.035 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 79.4 mm-40 -92.97 -10.8 35.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.219 176.179 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -80.55 -4.06 90.12 Favored Glycine 0 CA--C 1.523 0.532 0 N-CA-C 111.203 -0.759 . . . . 0.0 111.203 176.797 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 77.6 mt-30 -80.41 -7.18 59.02 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.848 0.356 . . . . 0.0 111.234 175.774 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.41 ' HA ' ' HD3' ' A' ' 37' ' ' PRO . 96.4 m -106.78 128.58 25.87 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.154 -179.074 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.436 ' O ' ' HB2' ' A' ' 38' ' ' ASP . 74.6 Cg_exo -53.87 150.28 30.59 Favored 'Trans proline' 0 N--CA 1.459 -0.549 0 C-N-CA 121.735 1.623 . . . . 0.0 111.167 177.707 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . 0.436 ' HB2' ' O ' ' A' ' 37' ' ' PRO . 70.5 m-20 68.31 31.22 5.21 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.198 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 61.1 t80 -95.38 -72.45 0.63 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.197 164.727 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.58 ' N ' ' CD ' ' A' ' 41' ' ' PRO . 85.6 mt -68.27 -40.57 21.27 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.203 178.772 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . 0.58 ' CD ' ' N ' ' A' ' 40' ' ' LEU . 74.6 Cg_exo -50.77 -33.36 40.31 Favored 'Trans proline' 0 N--CA 1.458 -0.607 0 C-N-CA 121.7 1.6 . . . . 0.0 111.192 179.207 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 82.7 p -87.71 -26.62 22.86 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.19 -175.822 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 97.1 mt -75.39 -31.64 60.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.173 171.9 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 81.1 mtp180 -65.18 -43.13 92.67 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.216 173.893 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -69.72 -31.43 69.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.223 175.294 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . . . -64.54 -48.87 73.46 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.138 176.505 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 90.7 mt -61.31 -35.79 78.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.248 177.696 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 60.1 ttp -59.0 -49.76 76.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.239 175.298 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -66.68 -40.05 88.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.259 -177.887 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 53.0 t -63.37 -51.2 73.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.148 177.764 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 80.9 mt -62.97 -35.94 81.82 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.156 -179.148 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 68.2 m -73.98 -34.06 64.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.142 179.425 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 83.0 tttt -74.25 -61.99 1.67 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.203 -177.276 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 89.6 m-85 -83.14 -40.04 20.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.205 -163.795 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 34.7 m -118.72 9.78 6.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.214 -171.597 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 87.4 m-20 56.21 50.07 14.17 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.178 167.177 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.411 HG11 HG23 ' A' ' 79' ' ' ILE . 71.4 t -109.89 140.05 30.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.232 175.213 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 83.0 p -89.95 162.58 15.34 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.161 -175.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 39.4 tp -61.56 -30.06 70.41 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.178 174.473 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -68.18 -37.41 80.92 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.198 177.443 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 94.6 m-20 -77.49 -3.71 41.87 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.183 178.31 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 70.3 mt -108.91 117.03 53.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.166 177.236 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 79.4 ttt180 -109.84 117.22 33.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.191 175.741 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.411 HG12 ' HG ' ' A' ' 77' ' ' LEU . 86.6 mt -105.55 117.62 51.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.157 -176.309 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 39.9 t -111.34 116.53 31.14 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.261 178.049 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 66.2 tt0 -91.18 116.2 28.63 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.222 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -115.71 140.42 49.21 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.155 179.62 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -102.79 112.98 26.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.185 -179.671 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . 0.554 ' O ' ' HB3' ' A' ' 70' ' ' ASP . 99.6 mm-40 -108.31 47.71 0.89 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.16 174.003 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . 0.554 ' HB3' ' O ' ' A' ' 69' ' ' GLN . 51.7 t0 84.52 -97.31 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.176 177.491 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -99.29 -6.46 55.4 Favored Glycine 0 CA--C 1.523 0.578 0 N-CA-C 111.196 -0.762 . . . . 0.0 111.196 175.069 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . 0.406 ' HB3' ' HB2' ' A' ' 69' ' ' GLN . 56.5 ttm -101.19 115.53 30.7 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.809 0.338 . . . . 0.0 111.165 176.768 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 53.9 t0 -99.92 115.67 30.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.167 176.119 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 96.7 t -108.93 124.59 65.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.188 -173.465 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 56.0 mt -107.63 115.17 29.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.217 174.367 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -98.7 115.07 27.9 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.229 -179.183 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.495 ' HB2' ' HB ' ' A' ' 24' ' ' ILE . 9.1 mp -97.36 110.58 23.1 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.204 175.344 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 51.9 t30 -92.69 102.41 14.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.192 174.238 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.411 HG23 HG11 ' A' ' 57' ' ' VAL . 74.7 mt -109.35 119.56 58.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.167 -166.938 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 97.6 m -94.75 113.99 25.83 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.19 170.854 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 53.8 tp . . . . . 0 C--O 1.2 -1.509 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.242 -178.585 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 16' ' ' THR . . . . . . . . . . . . . 95.3 m . . . . . 0 C--O 1.231 0.085 0 CA-C-O 120.841 0.353 . . . . 0.0 111.235 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 91.3 t -106.94 128.85 61.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.152 -176.899 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -122.38 179.61 4.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.154 178.44 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -75.33 65.36 1.63 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.233 177.402 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 61.4 t0 -151.96 118.29 5.61 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.198 -176.03 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 21' ' ' ARG . . . . . . . . . . . . . 85.3 mtp180 -124.24 141.87 51.71 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.189 -176.589 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 5.2 mp -120.09 143.5 48.1 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.205 -179.091 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 92.9 mm-40 -119.94 128.13 53.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.215 171.901 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 24' ' ' ILE . . . . . 0.493 ' HB ' ' HB2' ' B' ' 77' ' ' LEU . 68.8 mt -114.54 108.36 25.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.17 171.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 25' ' ' ILE . . . . . . . . . . . . . 43.9 mm -100.4 114.63 39.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.222 -179.288 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 36.0 mm -104.09 100.05 9.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.159 178.43 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -109.17 109.82 20.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.269 -176.638 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 28' ' ' GLN . . . . . . . . . . . . . 66.3 tt0 -103.43 101.63 11.53 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.214 178.194 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -93.48 133.34 36.86 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.219 -173.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 60.25 54.67 3.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.215 -174.298 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -62.3 116.64 5.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.186 -170.017 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 95.4 mm-40 -106.33 -39.26 5.97 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.155 176.035 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 79.4 mm-40 -92.97 -10.8 35.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.219 176.179 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -80.55 -4.06 90.12 Favored Glycine 0 CA--C 1.523 0.532 0 N-CA-C 111.203 -0.759 . . . . 0.0 111.203 176.797 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 35' ' ' GLN . . . . . . . . . . . . . 77.6 mt-30 -80.41 -7.18 59.02 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.848 0.356 . . . . 0.0 111.234 175.774 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 36' ' ' THR . . . . . . . . . . . . . 96.4 m -106.78 128.58 25.87 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.154 -179.074 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 37' ' ' PRO . . . . . 0.434 ' O ' ' HB2' ' B' ' 38' ' ' ASP . 74.6 Cg_exo -53.87 150.28 30.59 Favored 'Trans proline' 0 N--CA 1.459 -0.549 0 C-N-CA 121.735 1.623 . . . . 0.0 111.167 177.707 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 38' ' ' ASP . . . . . 0.434 ' HB2' ' O ' ' B' ' 37' ' ' PRO . 70.5 m-20 68.31 31.22 5.21 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.198 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 39' ' ' TYR . . . . . . . . . . . . . 61.1 t80 -95.38 -72.45 0.63 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.197 164.727 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 40' ' ' LEU . . . . . 0.563 ' N ' ' CD ' ' B' ' 41' ' ' PRO . 85.6 mt -68.27 -40.57 21.27 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.203 178.772 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 41' ' ' PRO . . . . . 0.563 ' CD ' ' N ' ' B' ' 40' ' ' LEU . 74.6 Cg_exo -50.77 -33.36 40.31 Favored 'Trans proline' 0 N--CA 1.458 -0.607 0 C-N-CA 121.7 1.6 . . . . 0.0 111.192 179.207 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 82.7 p -87.71 -26.62 22.86 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.19 -175.822 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 97.1 mt -75.39 -31.64 60.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.173 171.9 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 44' ' ' ARG . . . . . . . . . . . . . 81.1 mtp180 -65.18 -43.13 92.67 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.216 173.893 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 45' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -69.72 -31.43 69.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.223 175.294 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . . . -64.54 -48.87 73.46 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.138 176.505 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 90.7 mt -61.31 -35.79 78.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.248 177.696 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 48' ' ' MET . . . . . . . . . . . . . 60.1 ttp -59.0 -49.76 76.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.239 175.298 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -66.68 -40.05 88.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.259 -177.887 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 50' ' ' VAL . . . . . . . . . . . . . 53.0 t -63.37 -51.2 73.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.148 177.764 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 80.9 mt -62.97 -35.94 81.82 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.156 -179.148 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 68.2 m -73.98 -34.06 64.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.142 179.425 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 83.0 tttt -74.25 -61.99 1.67 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.203 -177.276 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 89.6 m-85 -83.14 -40.04 20.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.205 -163.795 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 55' ' ' VAL . . . . . . . . . . . . . 34.7 m -118.72 9.78 6.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.214 -171.597 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 56' ' ' ASN . . . . . . . . . . . . . 87.4 m-20 56.21 50.07 14.17 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.178 167.177 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 57' ' ' VAL . . . . . 0.42 HG11 HG23 ' B' ' 79' ' ' ILE . 71.4 t -109.89 140.05 30.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.232 175.213 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 58' ' ' SER . . . . . . . . . . . . . 83.0 p -89.95 162.58 15.34 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.161 -175.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 39.4 tp -61.56 -30.06 70.41 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.178 174.473 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -68.18 -37.41 80.92 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.198 177.443 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 61' ' ' ASN . . . . . . . . . . . . . 94.6 m-20 -77.49 -3.71 41.87 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.183 178.31 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 62' ' ' ILE . . . . . . . . . . . . . 70.3 mt -108.91 117.03 53.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.166 177.236 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 63' ' ' ARG . . . . . . . . . . . . . 79.4 ttt180 -109.84 117.22 33.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.191 175.741 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 64' ' ' ILE . . . . . 0.413 HG12 ' HG ' ' B' ' 77' ' ' LEU . 86.6 mt -105.55 117.62 51.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.157 -176.309 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 39.9 t -111.34 116.53 31.14 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.261 178.049 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 66.2 tt0 -91.18 116.2 28.63 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.222 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -115.71 140.42 49.21 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.155 179.62 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 68' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -102.79 112.98 26.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.185 -179.671 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 69' ' ' GLN . . . . . 0.549 ' O ' ' HB3' ' B' ' 70' ' ' ASP . 99.6 mm-40 -108.31 47.71 0.89 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.16 174.003 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 70' ' ' ASP . . . . . 0.549 ' HB3' ' O ' ' B' ' 69' ' ' GLN . 51.7 t0 84.52 -97.31 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.176 177.491 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 71' ' ' GLY . . . . . . . . . . . . . . . -99.29 -6.46 55.4 Favored Glycine 0 CA--C 1.523 0.578 0 N-CA-C 111.196 -0.762 . . . . 0.0 111.196 175.069 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 72' ' ' MET . . . . . 0.423 ' HB3' ' HB2' ' B' ' 69' ' ' GLN . 56.5 ttm -101.19 115.53 30.7 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.809 0.338 . . . . 0.0 111.165 176.768 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 73' ' ' ASP . . . . . . . . . . . . . 53.9 t0 -99.92 115.67 30.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.167 176.119 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 74' ' ' VAL . . . . . . . . . . . . . 96.7 t -108.93 124.59 65.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.188 -173.465 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 75' ' ' LEU . . . . . . . . . . . . . 56.0 mt -107.63 115.17 29.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.217 174.367 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -98.7 115.07 27.9 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.229 -179.183 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 77' ' ' LEU . . . . . 0.493 ' HB2' ' HB ' ' B' ' 24' ' ' ILE . 9.1 mp -97.36 110.58 23.1 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.204 175.344 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 78' ' ' ASN . . . . . . . . . . . . . 51.9 t30 -92.69 102.41 14.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.192 174.238 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 79' ' ' ILE . . . . . 0.42 HG23 HG11 ' B' ' 57' ' ' VAL . 74.7 mt -109.35 119.56 58.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.167 -166.938 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 80' ' ' THR . . . . . . . . . . . . . 97.6 m -94.75 113.99 25.83 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.19 170.854 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 53.8 tp . . . . . 0 C--O 1.2 -1.509 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.242 -178.585 . . . . . . . . 0 0 . 1 stop_ save_