data_1p0o_residue save_MolProbity _Software.Sf_category software _Software.Sf_framecode MolProbity _Software.Entry_ID ? _Software.ID 1 _Software.Name MolProbity _Software.Version 4.0 _Software.Details . save_ save_CYRANGE _Software.Sf_category software _Software.Sf_framecode CYRANGE _Software.Entry_ID ? _Software.ID 2 _Software.Name CYRANGE _Software.Version 2.0 _Software.Details . save_ save_Structure_validation_residue _Structure_validation_residue.Sf_category structure_validation _Structure_validation_residue.Sf_framecode Structure_validation_residue _Structure_validation_residue.Entry_ID ? _Structure_validation_residue.List_ID 1 _Structure_validation_residue.PDB_accession_code 1p0o _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 46.3 t . . . . . 0 N--CA 1.453 -0.279 0 N-CA-C 107.776 -1.194 . . . . 0.0 107.776 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 54.3 t80 -43.26 -29.05 0.36 Allowed 'General case' 0 N--CA 1.45 -0.426 0 CA-C-N 114.095 -1.411 . . . . 0.0 111.666 178.792 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.08 -44.6 83.96 Favored 'General case' 0 C--N 1.315 -0.928 0 CA-C-N 115.33 -0.85 . . . . 0.0 110.228 179.551 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 2.7 mpp_? -62.05 -32.0 72.47 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.186 -0.461 . . . . 0.0 109.926 179.092 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 4.1 tp -64.58 -33.12 75.18 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.194 179.375 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 11.8 mt-10 -65.3 -34.36 78.15 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.361 179.519 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 15.4 tttt -67.99 -43.18 79.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.243 -0.435 . . . . 0.0 109.925 179.256 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 6.3 mt -63.57 -30.21 71.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.057 -0.519 . . . . 0.0 109.914 179.04 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 1.6 t80 -66.15 -33.16 75.14 Favored 'General case' 0 N--CA 1.455 -0.215 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.094 179.241 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 14.7 t -64.26 -37.23 86.76 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.294 179.517 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.15 -32.59 74.21 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.154 179.464 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 37.0 mt -65.88 -31.53 54.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.305 179.306 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 2.9 m0 -66.94 -31.46 72.06 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.418 179.523 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -70.68 -32.36 69.58 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.706 179.762 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -85.05 -29.88 24.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.822 179.92 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.248 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.871 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 40.1 t . . . . . 0 N--CA 1.454 -0.24 0 N-CA-C 107.863 -1.162 . . . . 0.0 107.863 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 13.2 t80 -45.23 -27.7 0.67 Allowed 'General case' 0 N--CA 1.449 -0.496 0 CA-C-N 114.157 -1.383 . . . . 0.0 111.693 179.025 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.31 -39.63 85.93 Favored 'General case' 0 C--N 1.315 -0.903 0 CA-C-N 115.362 -0.835 . . . . 0.0 110.16 179.452 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 2.2 mtp-105 -61.6 -32.65 72.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.014 179.148 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.96 -41.62 99.58 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.284 179.453 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -64.05 -31.38 72.55 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.064 179.352 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -67.4 -39.21 85.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.084 179.339 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -64.96 -37.88 89.11 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.218 179.34 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -66.8 -30.5 70.71 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.051 179.204 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 3.7 m -67.53 -33.22 74.62 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.169 179.274 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -66.07 -32.35 73.77 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.266 179.46 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 44.5 mt -67.49 -35.67 74.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.491 179.485 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 18.0 m95 -67.23 -29.27 68.86 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.299 179.34 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 3.1 t30 -71.3 -31.56 67.58 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.58 179.666 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -84.98 -30.69 24.03 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.815 179.824 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.33 -0.247 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.921 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 42.4 t . . . . . 0 N--CA 1.455 -0.193 0 N-CA-C 107.794 -1.187 . . . . 0.0 107.794 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 55.6 t80 -44.86 -28.42 0.65 Allowed 'General case' 0 N--CA 1.449 -0.51 0 CA-C-N 114.127 -1.397 . . . . 0.0 111.6 178.76 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.95 -40.47 91.36 Favored 'General case' 0 C--N 1.315 -0.902 0 CA-C-N 115.234 -0.893 . . . . 0.0 110.188 179.501 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 1.5 mmm180 -61.68 -34.56 75.96 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.095 179.2 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -63.38 -36.03 82.37 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.288 179.515 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 30.5 mt-10 -67.01 -33.27 75.19 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.169 179.384 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -67.81 -39.29 83.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.048 -0.524 . . . . 0.0 109.838 179.127 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -62.22 -30.86 71.39 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.022 -0.536 . . . . 0.0 109.921 179.044 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -63.67 -33.16 75.02 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.056 179.25 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -61.78 -36.99 82.69 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.292 179.423 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 13.9 tttt -61.62 -32.01 72.13 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.163 179.299 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 36.4 mt -63.58 -31.51 53.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.198 179.243 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -63.85 -33.14 75.03 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.388 179.46 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 2.4 m120 -66.76 -35.46 80.15 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.689 179.784 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -85.04 -36.3 21.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.822 179.939 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 6.2 tttm . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.839 179.998 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 39.7 t . . . . . 0 N--CA 1.455 -0.189 0 N-CA-C 107.777 -1.194 . . . . 0.0 107.777 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 28.0 t80 -45.35 -28.09 0.79 Allowed 'General case' 0 N--CA 1.448 -0.554 0 CA-C-N 114.104 -1.407 . . . . 0.0 111.425 178.51 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.96 -39.31 93.29 Favored 'General case' 0 C--N 1.316 -0.868 0 CA-C-N 115.184 -0.916 . . . . 0.0 110.158 179.441 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -60.75 -35.17 75.73 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.124 179.235 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 11.2 tp -62.5 -40.94 98.34 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.305 179.519 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -64.16 -31.65 72.93 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.101 179.232 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.1 -40.22 86.87 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.049 179.32 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 80.6 mt -64.79 -36.82 85.55 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.243 179.368 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -67.81 -32.6 73.25 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.138 -0.483 . . . . 0.0 109.967 179.287 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 1.2 t -66.95 -31.3 71.78 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.066 179.222 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.42 -34.24 77.5 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.353 179.445 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 34.1 mt -67.36 -34.79 71.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.537 179.533 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 13.9 t90 -69.14 -31.48 70.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.28 179.391 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 52.8 t-20 -72.16 -29.73 64.31 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.51 179.487 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 0.8 OUTLIER -78.4 -30.16 47.63 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.826 179.775 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 1.5 ttpm? . . . . . 0 C--N 1.33 -0.265 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.874 179.999 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 7.3 p . . . . . 0 N--CA 1.455 -0.209 0 N-CA-C 107.711 -1.218 . . . . 0.0 107.711 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 51.2 t80 -43.31 -29.26 0.4 Allowed 'General case' 0 N--CA 1.45 -0.449 0 CA-C-N 114.111 -1.404 . . . . 0.0 111.758 178.912 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -66.41 -44.37 83.18 Favored 'General case' 0 C--N 1.315 -0.931 0 CA-C-N 115.275 -0.875 . . . . 0.0 110.239 179.621 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 3.4 mpt_? -62.99 -34.24 77.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.127 -0.488 . . . . 0.0 109.967 179.159 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 9.8 mt -65.07 -36.01 82.96 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.158 179.447 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -69.14 -31.95 70.98 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.071 179.273 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.13 -35.93 74.43 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.059 179.293 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -68.38 -35.38 77.62 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.146 179.386 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -69.23 -32.13 71.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 0.0 109.996 179.285 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -68.7 -31.24 70.19 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.1 179.198 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -67.64 -32.81 73.77 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.184 179.376 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 37.5 mt -67.41 -31.25 52.01 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.449 179.453 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -69.62 -33.08 72.14 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.454 179.59 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -73.2 -30.06 63.25 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.589 179.692 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 4.4 m0 -84.96 -30.04 24.6 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.908 179.811 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 74.7 tttt . . . . . 0 C--N 1.33 -0.248 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.864 179.998 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 45.3 t . . . . . 0 N--CA 1.454 -0.23 0 N-CA-C 107.855 -1.165 . . . . 0.0 107.855 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 59.0 t80 -43.87 -28.5 0.45 Allowed 'General case' 0 N--CA 1.45 -0.449 0 CA-C-N 114.129 -1.396 . . . . 0.0 111.931 179.157 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -68.31 -41.48 80.82 Favored 'General case' 0 C--N 1.315 -0.899 0 CA-C-N 115.42 -0.809 . . . . 0.0 110.076 179.548 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 5.7 mtt180 -62.18 -31.45 71.96 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.077 -0.51 . . . . 0.0 109.991 179.024 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -64.24 -38.47 91.15 Favored 'General case' 0 N--CA 1.455 -0.199 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.239 179.468 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 7.9 mt-10 -67.04 -31.77 72.52 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.173 179.373 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 4.1 mtmt -69.62 -37.08 76.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.047 179.265 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 63.2 mt -67.15 -35.61 80.07 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.283 179.347 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -69.43 -31.63 70.08 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.0 179.266 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 28.6 t -68.78 -31.22 70.1 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.065 179.194 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.26 -33.38 75.21 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.21 179.406 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 35.4 mt -67.28 -32.88 59.46 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.465 179.434 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 0.4 OUTLIER -68.33 -31.63 71.19 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.254 179.409 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 2.7 m-80 -70.37 -30.2 67.05 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.552 179.549 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 18.7 t-105 -79.22 -37.64 37.62 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.797 179.83 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.918 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 38.3 t . . . . . 0 N--CA 1.454 -0.269 0 N-CA-C 107.863 -1.162 . . . . 0.0 107.863 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 29.0 t80 -42.91 -28.99 0.29 Allowed 'General case' 0 N--CA 1.45 -0.453 0 CA-C-N 114.154 -1.385 . . . . 0.0 111.915 179.136 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 15.3 tttp -67.04 -44.82 79.22 Favored 'General case' 0 C--N 1.315 -0.894 0 CA-C-N 115.379 -0.828 . . . . 0.0 110.101 179.429 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.86 -31.05 70.52 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.093 -0.503 . . . . 0.0 109.902 178.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -63.64 -37.51 87.62 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.998 -0.547 . . . . 0.0 110.174 179.424 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -67.13 -32.73 74.05 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.261 179.462 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -69.69 -34.38 73.85 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.071 -0.513 . . . . 0.0 109.943 179.218 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -66.25 -33.27 75.38 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.193 179.313 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -67.26 -35.19 79.0 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.236 179.431 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 22.9 p -66.34 -31.03 71.56 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.097 179.286 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 10.7 mmtt -67.23 -31.9 72.58 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.311 179.424 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 34.8 mt -67.51 -36.02 75.02 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.524 179.418 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 44.4 t-105 -67.84 -32.04 72.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.184 179.338 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 45.1 m-80 -70.5 -30.31 67.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.421 179.505 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 6.8 m95 -75.48 -30.58 59.94 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.842 179.884 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 10.7 mptt . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.845 -179.983 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 17.0 t . . . . . 0 N--CA 1.455 -0.223 0 N-CA-C 107.807 -1.182 . . . . 0.0 107.807 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 24.1 t80 -43.39 -28.88 0.38 Allowed 'General case' 0 N--CA 1.45 -0.47 0 CA-C-N 114.095 -1.411 . . . . 0.0 111.689 178.798 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 30.0 tttp -65.5 -44.91 85.59 Favored 'General case' 0 C--N 1.315 -0.897 0 CA-C-N 115.297 -0.865 . . . . 0.0 110.184 179.459 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -60.81 -32.98 72.33 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.178 -0.465 . . . . 0.0 109.865 179.104 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 4.0 tp -62.96 -34.13 76.85 Favored 'General case' 0 N--CA 1.454 -0.229 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.166 179.418 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -65.13 -33.24 75.56 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.328 179.545 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 6.2 ttpp -69.16 -43.39 74.36 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.162 -0.472 . . . . 0.0 109.973 179.338 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -65.88 -31.07 71.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.026 -0.533 . . . . 0.0 109.895 179.117 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 1.3 t80 -68.95 -32.96 72.93 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.093 179.193 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 14.2 t -66.14 -33.64 76.24 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.062 179.27 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 11.1 mttt -64.74 -31.33 72.51 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.119 179.289 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.429 HG22 HD12 ' A' ' 15' ' ' ILE . 37.7 mt -65.62 -34.12 68.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.531 179.507 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 0.6 OUTLIER -67.51 -39.12 85.14 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.406 179.549 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 1.4 m-80 -71.72 -27.85 63.29 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.523 179.508 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 2.4 t-105 -85.05 -29.16 25.17 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.863 179.884 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 1.1 mttm . . . . . 0 C--N 1.331 -0.231 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.851 -180.0 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 16.1 t . . . . . 0 N--CA 1.455 -0.181 0 N-CA-C 107.752 -1.203 . . . . 0.0 107.752 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 31.6 t80 -44.75 -28.49 0.63 Allowed 'General case' 0 N--CA 1.449 -0.49 0 CA-C-N 114.183 -1.371 . . . . 0.0 111.452 178.707 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -64.62 -41.03 96.46 Favored 'General case' 0 C--N 1.316 -0.864 0 CA-C-N 115.229 -0.896 . . . . 0.0 110.078 179.374 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 8.7 mtt180 -59.39 -32.95 70.63 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.155 -0.475 . . . . 0.0 109.991 179.033 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -61.29 -36.07 79.05 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.383 179.504 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -64.46 -35.51 81.16 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.328 179.604 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 3.0 tptt -66.56 -39.14 88.37 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.178 -0.464 . . . . 0.0 109.946 179.269 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -62.77 -30.61 71.58 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.967 -0.56 . . . . 0.0 109.999 179.135 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 39.5 t80 -64.42 -36.8 85.32 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.287 179.376 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 51.5 p -62.92 -33.96 76.44 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.201 179.439 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -64.92 -30.37 71.36 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.236 179.345 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 35.8 mt -66.42 -34.32 69.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.541 179.506 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 1.0 OUTLIER -67.8 -30.43 69.86 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.523 179.53 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 83.5 m-20 -73.81 -26.76 60.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.656 179.569 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 6.9 t90 -82.69 -33.26 27.72 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.913 179.9 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.245 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.882 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 7.2 p . . . . . 0 N--CA 1.454 -0.246 0 N-CA-C 107.798 -1.186 . . . . 0.0 107.798 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 12.2 t80 -44.86 -28.04 0.6 Allowed 'General case' 0 N--CA 1.449 -0.502 0 CA-C-N 114.141 -1.391 . . . . 0.0 111.703 178.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 2.9 tmtt? -66.98 -40.73 87.48 Favored 'General case' 0 C--N 1.316 -0.885 0 CA-C-N 115.274 -0.875 . . . . 0.0 110.134 179.502 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -61.78 -32.77 73.07 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.067 -0.515 . . . . 0.0 109.989 179.162 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.3 mt -63.63 -39.19 93.72 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.249 179.499 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -66.28 -31.42 72.21 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.237 179.448 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -69.98 -36.23 75.04 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.125 179.346 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -67.47 -34.84 78.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.187 179.279 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -67.72 -33.18 74.38 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.113 -0.494 . . . . 0.0 109.963 179.201 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 6.1 t -65.42 -31.91 73.26 Favored 'General case' 0 N--CA 1.453 -0.282 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.072 179.147 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.98 -34.37 77.83 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.275 179.364 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 8.8 mm -63.63 -33.68 63.14 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.423 179.387 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 0.6 OUTLIER -67.35 -25.46 66.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.467 179.375 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 2.6 t30 -75.2 -26.3 58.87 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.667 179.606 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' TRP . . . . . 0.413 ' HA ' ' CE3' ' A' ' 18' ' ' TRP . 0.0 OUTLIER -81.74 -31.99 31.74 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.102 -179.919 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.265 0 CA-C-O 120.901 0.381 . . . . 0.0 111.126 -179.818 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 7.3 p . . . . . 0 N--CA 1.455 -0.2 0 N-CA-C 107.834 -1.173 . . . . 0.0 107.834 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 13.0 t80 -44.71 -28.07 0.57 Allowed 'General case' 0 N--CA 1.449 -0.487 0 CA-C-N 114.184 -1.371 . . . . 0.0 111.88 179.055 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 1.9 ttpp -68.11 -39.63 82.76 Favored 'General case' 0 C--N 1.315 -0.924 0 CA-C-N 115.425 -0.807 . . . . 0.0 110.032 179.506 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.71 -31.98 72.17 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.025 179.108 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.1 tt -63.37 -41.73 98.83 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.229 179.376 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 24.1 mt-10 -68.07 -31.4 71.01 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.248 -0.433 . . . . 0.0 109.895 179.188 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 1.7 tttp -69.6 -31.09 69.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.976 -0.556 . . . . 0.0 109.844 179.006 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 6.3 tp -65.53 -34.21 77.72 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.101 179.238 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 89.0 t80 -63.88 -34.49 78.06 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.263 179.442 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -65.1 -35.55 81.5 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.337 179.52 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 40.3 mttp -65.84 -36.14 82.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.177 179.434 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 53.8 mt -65.66 -29.49 47.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.209 179.157 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 2.5 t-105 -67.66 -35.26 78.54 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.424 179.494 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 6.1 m-80 -69.31 -31.25 69.6 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.736 179.803 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 0.4 OUTLIER -82.91 -31.8 27.61 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.779 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.851 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 7.1 p . . . . . 0 N--CA 1.454 -0.26 0 N-CA-C 107.825 -1.176 . . . . 0.0 107.825 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 52.5 t80 -40.64 -30.96 0.13 Allowed 'General case' 0 N--CA 1.45 -0.429 0 CA-C-N 114.163 -1.381 . . . . 0.0 111.798 178.92 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -65.09 -49.56 69.54 Favored 'General case' 0 C--N 1.315 -0.919 0 CA-C-N 115.209 -0.905 . . . . 0.0 110.122 179.422 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 9.2 mtm180 -62.15 -33.61 74.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.141 -0.481 . . . . 0.0 109.867 178.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.9 mp -65.98 -35.52 80.81 Favored 'General case' 0 N--CA 1.454 -0.261 0 CA-C-N 115.868 -0.606 . . . . 0.0 110.098 179.286 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 19.2 mm-40 -68.25 -31.92 71.74 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.102 179.275 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 6.5 mtmp? -70.06 -38.59 75.83 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.003 179.237 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 7.6 tt -66.5 -32.85 74.47 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.163 179.303 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -68.38 -34.26 75.73 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.111 179.289 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 59.0 m -66.19 -32.4 73.81 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.037 179.223 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 3.2 mttm -65.5 -32.19 73.66 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.229 179.328 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 44.2 mt -65.95 -33.17 61.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.415 179.426 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 0.9 OUTLIER -66.64 -32.7 74.19 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.306 179.471 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 29.4 m120 -68.96 -30.19 68.58 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.518 179.558 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 6.7 m95 -76.13 -37.29 58.22 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.766 179.814 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.924 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 7.4 p . . . . . 0 N--CA 1.455 -0.221 0 N-CA-C 107.83 -1.174 . . . . 0.0 107.83 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 36.2 t80 -43.0 -29.19 0.32 Allowed 'General case' 0 N--CA 1.451 -0.412 0 CA-C-N 114.128 -1.397 . . . . 0.0 111.77 178.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 6.9 ttpp -66.27 -44.25 84.13 Favored 'General case' 0 C--N 1.315 -0.921 0 CA-C-N 115.356 -0.838 . . . . 0.0 110.19 179.502 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.71 -33.95 74.92 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.146 -0.479 . . . . 0.0 109.9 179.087 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.8 mt -63.77 -38.81 92.48 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.157 179.435 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -68.76 -31.36 70.33 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.17 -0.468 . . . . 0.0 109.998 179.171 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 1.2 mmtp -70.05 -33.87 72.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.002 -0.544 . . . . 0.0 109.926 179.195 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 7.6 tt -67.07 -35.93 80.91 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.273 179.414 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -68.02 -36.48 80.02 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.075 179.309 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 60.2 p -66.81 -30.41 70.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.068 -0.515 . . . . 0.0 109.97 179.159 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 28.8 ttmt -66.85 -33.25 75.2 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.157 179.361 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.403 HD11 HG23 ' A' ' 15' ' ' ILE . 8.0 mm -66.02 -33.71 65.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.52 179.49 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -68.22 -30.31 69.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.387 179.457 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 17.7 t30 -72.49 -31.1 65.1 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.659 179.666 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 46.4 t90 -80.64 -30.07 36.67 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.927 179.85 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 21.7 ttpt . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.919 179.978 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 32.8 t . . . . . 0 N--CA 1.454 -0.251 0 N-CA-C 107.97 -1.122 . . . . 0.0 107.97 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 13.8 t80 -42.79 -29.98 0.35 Allowed 'General case' 0 N--CA 1.451 -0.416 0 CA-C-N 114.107 -1.406 . . . . 0.0 111.962 179.205 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.11 -44.91 71.48 Favored 'General case' 0 C--N 1.313 -1.003 0 CA-C-N 115.461 -0.791 . . . . 0.0 109.836 179.367 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 7.5 mtp180 -60.35 -29.54 68.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.96 -0.564 . . . . 0.0 109.786 178.721 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.97 -36.45 83.53 Favored 'General case' 0 N--CA 1.455 -0.212 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.208 179.35 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 10.8 mt-10 -66.17 -36.79 84.02 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.31 179.43 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 7.2 mmtt -67.2 -32.2 73.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.158 -0.474 . . . . 0.0 109.873 179.197 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -65.23 -32.39 74.03 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.089 179.219 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 31.3 t80 -64.69 -33.83 76.87 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.326 179.445 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 31.1 t -65.24 -35.38 80.88 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.297 179.502 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 1.5 mmtt -65.38 -34.85 79.27 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.229 179.463 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 7.9 mm -66.43 -31.61 54.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.481 179.439 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 11.7 t-105 -69.22 -32.36 71.57 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.323 179.491 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 1.5 m120 -72.0 -29.48 64.26 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.597 179.61 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 79.1 t90 -80.19 -30.47 38.75 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.805 179.833 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.251 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.858 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 7.5 p . . . . . 0 N--CA 1.454 -0.236 0 N-CA-C 107.774 -1.195 . . . . 0.0 107.774 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 57.8 t80 -42.21 -30.05 0.28 Allowed 'General case' 0 N--CA 1.45 -0.458 0 CA-C-N 114.071 -1.422 . . . . 0.0 111.713 178.925 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 2.9 tttm -65.48 -46.13 80.98 Favored 'General case' 0 C--N 1.314 -0.938 0 CA-C-N 115.299 -0.864 . . . . 0.0 110.079 179.506 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 8.9 mtp180 -61.38 -33.11 73.12 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.056 179.156 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -66.27 -36.21 82.41 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.965 -0.562 . . . . 0.0 110.127 179.519 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -68.41 -30.5 69.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.074 179.28 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -69.98 -39.68 75.81 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.087 -0.506 . . . . 0.0 109.964 179.188 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 94.7 mt -65.08 -34.57 78.72 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.159 179.28 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 1.6 t80 -67.22 -31.55 72.0 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.197 -0.456 . . . . 0.0 109.951 179.091 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -65.66 -32.06 73.41 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.122 179.294 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 13.7 mttp -65.01 -36.72 85.31 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.3 179.381 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.47 HG22 HD11 ' A' ' 15' ' ' ILE . 47.4 mt -64.38 -30.8 51.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.278 179.187 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 0.6 OUTLIER -66.56 -30.71 71.08 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.366 179.409 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -69.37 -31.3 69.63 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.693 179.706 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -77.32 -31.85 54.88 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.845 179.879 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.328 -0.357 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.253 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 7.4 p . . . . . 0 N--CA 1.455 -0.221 0 N-CA-C 107.737 -1.208 . . . . 0.0 107.737 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 14.3 t80 -45.56 -27.63 0.8 Allowed 'General case' 0 N--CA 1.449 -0.508 0 CA-C-N 114.152 -1.386 . . . . 0.0 111.541 178.718 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 27.1 tttp -66.23 -39.16 89.35 Favored 'General case' 0 C--N 1.316 -0.887 0 CA-C-N 115.289 -0.868 . . . . 0.0 110.092 179.409 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.66 -33.44 72.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.021 179.192 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.29 -41.93 98.91 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.257 179.5 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -66.57 -30.97 71.39 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.071 179.262 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 5.9 tttt -69.89 -33.63 72.46 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.948 -0.569 . . . . 0.0 109.987 179.236 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 1.1 mp -66.66 -33.02 74.72 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.177 179.391 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 3.2 t80 -67.65 -33.77 75.62 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.218 179.402 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 58.7 m -66.46 -32.9 74.55 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.153 179.33 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.99 -32.99 74.79 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.196 179.366 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 8.0 mm -66.53 -31.75 54.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.481 179.46 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 23.1 m95 -68.67 -31.76 71.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.359 179.422 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 22.1 m-20 -71.8 -30.32 65.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.641 179.648 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -81.83 -32.69 31.09 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.838 179.87 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 6.3 mtpm? . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.906 179.974 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 22.0 t . . . . . 0 N--CA 1.456 -0.149 0 N-CA-C 107.671 -1.233 . . . . 0.0 107.671 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 10.7 t80 -44.81 -28.4 0.64 Allowed 'General case' 0 N--CA 1.448 -0.529 0 CA-C-N 114.107 -1.406 . . . . 0.0 111.418 178.557 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 6.9 ttmm -64.38 -42.07 96.35 Favored 'General case' 0 C--N 1.317 -0.837 0 CA-C-N 115.173 -0.922 . . . . 0.0 110.222 179.473 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.62 -38.46 87.74 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.157 179.25 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.5 mt -63.25 -33.6 75.84 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.101 179.412 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -65.47 -33.14 75.24 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.085 179.237 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -67.41 -46.69 72.44 Favored 'General case' 0 N--CA 1.454 -0.24 0 CA-C-N 116.008 -0.542 . . . . 0.0 109.984 179.185 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -65.0 -31.47 72.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.471 . . . . 0.0 109.838 179.063 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -68.37 -31.88 71.57 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.065 -0.516 . . . . 0.0 109.834 179.062 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 15.0 p -64.5 -33.24 75.44 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.136 179.274 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 46.5 tttt -64.41 -32.29 73.85 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.314 179.499 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.461 HG22 HD12 ' A' ' 15' ' ' ILE . 37.2 mt -66.24 -33.99 67.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.501 179.517 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 0.4 OUTLIER -67.05 -32.09 73.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.315 179.506 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -70.68 -29.81 66.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.503 179.613 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -77.03 -30.88 55.96 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.809 179.846 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 3.3 ttpp . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.858 -179.942 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 44.7 t . . . . . 0 N--CA 1.455 -0.211 0 N-CA-C 107.881 -1.155 . . . . 0.0 107.881 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 55.8 t80 -44.51 -28.2 0.55 Allowed 'General case' 0 N--CA 1.45 -0.463 0 CA-C-N 114.103 -1.408 . . . . 0.0 111.773 178.89 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 3.8 tmtm? -67.16 -41.0 86.74 Favored 'General case' 0 C--N 1.315 -0.929 0 CA-C-N 115.331 -0.85 . . . . 0.0 110.152 179.459 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 1.6 mmm180 -61.8 -33.12 73.55 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.024 179.148 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.8 tp -64.4 -39.22 93.43 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.283 179.511 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -66.0 -30.44 70.99 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.154 179.285 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 24.3 tttt -69.45 -39.43 77.76 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.086 179.349 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 1.7 mp -66.57 -36.18 82.02 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.131 179.342 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -68.62 -29.8 68.38 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.081 -0.509 . . . . 0.0 109.991 179.191 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -68.61 -32.89 73.09 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.183 179.306 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 6.5 tttt -68.26 -41.61 80.82 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.206 179.397 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 39.9 mt -67.55 -30.53 49.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.135 179.149 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -70.17 -30.31 67.42 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.144 179.206 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 -70.64 -31.61 68.62 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.602 179.656 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 7.4 t90 -85.01 -30.47 24.15 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.907 179.816 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 20.1 mttt . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.897 179.931 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 20.0 t . . . . . 0 N--CA 1.455 -0.213 0 N-CA-C 107.802 -1.184 . . . . 0.0 107.802 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 42.0 t80 -44.32 -28.47 0.54 Allowed 'General case' 0 N--CA 1.449 -0.486 0 CA-C-N 114.001 -1.454 . . . . 0.0 111.588 178.705 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -65.53 -42.6 91.79 Favored 'General case' 0 C--N 1.315 -0.892 0 CA-C-N 115.267 -0.879 . . . . 0.0 110.204 179.508 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 6.4 mtp180 -61.17 -34.55 75.21 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.105 179.199 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -64.07 -39.48 94.16 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.125 179.45 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -67.14 -30.31 70.26 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.041 179.203 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 10.8 mttp -70.0 -38.06 75.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.059 179.277 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -67.04 -34.87 78.64 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.133 179.408 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -69.05 -32.38 71.82 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.068 179.21 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -67.47 -32.15 72.78 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.046 179.251 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.34 -34.18 77.4 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.275 179.433 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.403 HG21 HD13 ' A' ' 15' ' ' ILE . 35.0 mt -66.68 -32.34 57.6 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.404 179.469 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 2.3 t-105 -68.37 -31.32 70.62 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.042 -0.527 . . . . 0.0 110.308 179.434 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 3.2 t-20 -70.75 -31.06 67.75 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.584 179.694 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -77.28 -30.67 54.36 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.802 179.861 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 24.9 tttt . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.925 179.947 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 40.5 t . . . . . 0 N--CA 1.454 -0.229 0 N-CA-C 107.832 -1.173 . . . . 0.0 107.832 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 24.9 t80 -43.61 -28.66 0.41 Allowed 'General case' 0 N--CA 1.45 -0.468 0 CA-C-N 114.144 -1.389 . . . . 0.0 111.808 178.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . 0.413 ' O ' ' CG ' ' A' ' 9' ' ' GLU . 0.0 OUTLIER -67.33 -42.32 83.78 Favored 'General case' 0 C--N 1.315 -0.916 0 CA-C-N 115.332 -0.849 . . . . 0.0 110.247 179.582 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.46 -29.04 70.38 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.234 -0.439 . . . . 0.0 109.932 179.06 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -66.21 -41.16 90.52 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.505 179.657 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . 0.413 ' CG ' ' O ' ' A' ' 6' ' ' LYS . 0.1 OUTLIER -65.97 -27.74 68.38 Favored 'General case' 0 C--N 1.332 -0.186 0 C-N-CA 120.776 -0.369 . . . . 0.0 110.167 179.492 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.406 ' N ' ' HG3' ' A' ' 9' ' ' GLU . 0.0 OUTLIER -70.25 -41.02 74.08 Favored 'General case' 0 N--CA 1.454 -0.231 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.054 179.095 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 74.8 mt -63.09 -31.37 72.5 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.093 179.217 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 71.2 t80 -66.14 -33.28 75.41 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.202 179.398 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 12.9 t -65.27 -35.1 79.98 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.3 179.448 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 22.9 mtpt -65.69 -31.88 73.14 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.378 179.432 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.423 HD12 HG23 ' A' ' 15' ' ' ILE . 36.1 mt -67.95 -33.81 63.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.526 179.436 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -68.93 -32.36 71.92 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.303 179.501 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 1.1 t30 -72.16 -28.84 63.49 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.449 179.507 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -78.45 -30.47 47.51 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.754 179.833 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.241 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.895 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.342 0 CA-C-O 120.797 0.332 . . . . 0.0 110.989 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.81 53.52 0.92 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.904 179.911 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.96 38.33 1.32 Allowed 'General case' 0 CA--C 1.514 -0.418 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.187 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 46.3 t -63.35 -16.21 17.53 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 N-CA-C 107.776 -1.194 . . . . 0.0 107.776 176.49 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 54.3 t80 -43.26 -29.05 0.36 Allowed 'General case' 0 N--CA 1.45 -0.426 0 CA-C-N 114.095 -1.411 . . . . 0.0 111.666 178.792 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.08 -44.6 83.96 Favored 'General case' 0 C--N 1.315 -0.928 0 CA-C-N 115.33 -0.85 . . . . 0.0 110.228 179.551 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 2.7 mpp_? -62.05 -32.0 72.47 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.186 -0.461 . . . . 0.0 109.926 179.092 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 4.1 tp -64.58 -33.12 75.18 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.194 179.375 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 11.8 mt-10 -65.3 -34.36 78.15 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.361 179.519 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 15.4 tttt -67.99 -43.18 79.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.243 -0.435 . . . . 0.0 109.925 179.256 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 6.3 mt -63.57 -30.21 71.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.057 -0.519 . . . . 0.0 109.914 179.04 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 1.6 t80 -66.15 -33.16 75.14 Favored 'General case' 0 N--CA 1.455 -0.215 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.094 179.241 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 14.7 t -64.26 -37.23 86.76 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.294 179.517 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.15 -32.59 74.21 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.154 179.464 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 37.0 mt -65.88 -31.53 54.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.305 179.306 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 2.9 m0 -66.94 -31.46 72.06 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.418 179.523 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -70.68 -32.36 69.58 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.706 179.762 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -85.05 -29.88 24.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.822 179.92 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.54 148.97 26.73 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.871 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.341 0 CA-C-N 116.291 -0.413 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.366 0 CA-C-O 120.812 0.339 . . . . 0.0 110.984 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -99.73 47.09 0.95 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.893 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -143.04 37.49 1.41 Allowed 'General case' 0 CA--C 1.513 -0.449 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.113 179.906 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 40.1 t -66.41 -12.37 14.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 N-CA-C 107.863 -1.162 . . . . 0.0 107.863 176.406 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 13.2 t80 -45.23 -27.7 0.67 Allowed 'General case' 0 N--CA 1.449 -0.496 0 CA-C-N 114.157 -1.383 . . . . 0.0 111.693 179.025 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.31 -39.63 85.93 Favored 'General case' 0 C--N 1.315 -0.903 0 CA-C-N 115.362 -0.835 . . . . 0.0 110.16 179.452 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 2.2 mtp-105 -61.6 -32.65 72.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.014 179.148 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.96 -41.62 99.58 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.284 179.453 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -64.05 -31.38 72.55 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.064 179.352 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -67.4 -39.21 85.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.084 179.339 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -64.96 -37.88 89.11 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.218 179.34 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -66.8 -30.5 70.71 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.051 179.204 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 3.7 m -67.53 -33.22 74.62 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.169 179.274 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -66.07 -32.35 73.77 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.266 179.46 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 44.5 mt -67.49 -35.67 74.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.491 179.485 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 18.0 m95 -67.23 -29.27 68.86 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.299 179.34 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 3.1 t30 -71.3 -31.56 67.58 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.58 179.666 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -84.98 -30.69 24.03 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.815 179.824 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.33 147.77 49.24 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.921 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.37 0 CA-C-N 116.343 -0.389 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.369 0 CA-C-O 120.778 0.323 . . . . 0.0 111.024 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -93.94 47.05 1.19 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.019 0.438 . . . . 0.0 110.789 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -151.32 38.7 0.64 Allowed 'General case' 0 CA--C 1.514 -0.421 0 CA-C-N 116.044 -0.525 . . . . 0.0 111.138 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 42.4 t -63.52 -15.68 16.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 N-CA-C 107.794 -1.187 . . . . 0.0 107.794 176.409 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 55.6 t80 -44.86 -28.42 0.65 Allowed 'General case' 0 N--CA 1.449 -0.51 0 CA-C-N 114.127 -1.397 . . . . 0.0 111.6 178.76 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.95 -40.47 91.36 Favored 'General case' 0 C--N 1.315 -0.902 0 CA-C-N 115.234 -0.893 . . . . 0.0 110.188 179.501 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 1.5 mmm180 -61.68 -34.56 75.96 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.095 179.2 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -63.38 -36.03 82.37 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.288 179.515 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 30.5 mt-10 -67.01 -33.27 75.19 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.169 179.384 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -67.81 -39.29 83.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.048 -0.524 . . . . 0.0 109.838 179.127 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -62.22 -30.86 71.39 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.022 -0.536 . . . . 0.0 109.921 179.044 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -63.67 -33.16 75.02 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.056 179.25 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -61.78 -36.99 82.69 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.292 179.423 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 13.9 tttt -61.62 -32.01 72.13 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.163 179.299 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 36.4 mt -63.58 -31.51 53.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.198 179.243 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -63.85 -33.14 75.03 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.388 179.46 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 2.4 m120 -66.76 -35.46 80.15 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.689 179.784 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -85.04 -36.3 21.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.822 179.939 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 6.2 tttm -76.71 113.22 14.11 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.839 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.303 -0.408 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.314 0 CA-C-O 120.769 0.319 . . . . 0.0 111.064 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -93.58 47.55 1.24 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.889 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 5.9 pttm -98.1 39.74 1.21 Allowed 'General case' 0 CA--C 1.514 -0.404 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.201 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 39.7 t -61.97 -16.59 15.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 N-CA-C 107.777 -1.194 . . . . 0.0 107.777 176.369 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 28.0 t80 -45.35 -28.09 0.79 Allowed 'General case' 0 N--CA 1.448 -0.554 0 CA-C-N 114.104 -1.407 . . . . 0.0 111.425 178.51 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.96 -39.31 93.29 Favored 'General case' 0 C--N 1.316 -0.868 0 CA-C-N 115.184 -0.916 . . . . 0.0 110.158 179.441 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -60.75 -35.17 75.73 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.124 179.235 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 11.2 tp -62.5 -40.94 98.34 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.305 179.519 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -64.16 -31.65 72.93 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.101 179.232 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.1 -40.22 86.87 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.049 179.32 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 80.6 mt -64.79 -36.82 85.55 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.243 179.368 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -67.81 -32.6 73.25 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.138 -0.483 . . . . 0.0 109.967 179.287 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 1.2 t -66.95 -31.3 71.78 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.066 179.222 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.42 -34.24 77.5 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.353 179.445 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 34.1 mt -67.36 -34.79 71.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.537 179.533 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 13.9 t90 -69.14 -31.48 70.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.28 179.391 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 52.8 t-20 -72.16 -29.73 64.31 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.51 179.487 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 0.8 OUTLIER -78.4 -30.16 47.63 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.826 179.775 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 1.5 ttpm? -73.95 -41.08 62.52 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.874 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.357 -0.383 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.374 0 CA-C-O 120.797 0.332 . . . . 0.0 111.037 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 5.8 pttp -99.99 47.69 0.94 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.948 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -144.24 37.34 1.25 Allowed 'General case' 0 CA--C 1.514 -0.407 0 CA-C-O 121.056 0.455 . . . . 0.0 111.212 179.922 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 7.3 p -64.66 -15.46 17.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 N-CA-C 107.711 -1.218 . . . . 0.0 107.711 176.524 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 51.2 t80 -43.31 -29.26 0.4 Allowed 'General case' 0 N--CA 1.45 -0.449 0 CA-C-N 114.111 -1.404 . . . . 0.0 111.758 178.912 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -66.41 -44.37 83.18 Favored 'General case' 0 C--N 1.315 -0.931 0 CA-C-N 115.275 -0.875 . . . . 0.0 110.239 179.621 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 3.4 mpt_? -62.99 -34.24 77.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.127 -0.488 . . . . 0.0 109.967 179.159 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 9.8 mt -65.07 -36.01 82.96 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.158 179.447 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -69.14 -31.95 70.98 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.071 179.273 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.13 -35.93 74.43 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.059 179.293 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -68.38 -35.38 77.62 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.146 179.386 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -69.23 -32.13 71.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 0.0 109.996 179.285 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -68.7 -31.24 70.19 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.1 179.198 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -67.64 -32.81 73.77 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.184 179.376 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 37.5 mt -67.41 -31.25 52.01 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.449 179.453 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -69.62 -33.08 72.14 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.454 179.59 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -73.2 -30.06 63.25 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.589 179.692 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 4.4 m0 -84.96 -30.04 24.6 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.908 179.811 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 74.7 tttt -81.32 130.67 35.13 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.864 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.289 -0.414 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.372 0 CA-C-O 120.817 0.341 . . . . 0.0 111.034 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 21.4 tttm -99.77 47.39 0.95 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.898 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -120.23 37.17 4.32 Favored 'General case' 0 CA--C 1.514 -0.442 0 CA-C-O 121.131 0.491 . . . . 0.0 111.101 179.838 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 45.3 t -66.46 -12.87 15.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 N-CA-C 107.855 -1.165 . . . . 0.0 107.855 176.549 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 59.0 t80 -43.87 -28.5 0.45 Allowed 'General case' 0 N--CA 1.45 -0.449 0 CA-C-N 114.129 -1.396 . . . . 0.0 111.931 179.157 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -68.31 -41.48 80.82 Favored 'General case' 0 C--N 1.315 -0.899 0 CA-C-N 115.42 -0.809 . . . . 0.0 110.076 179.548 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 5.7 mtt180 -62.18 -31.45 71.96 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.077 -0.51 . . . . 0.0 109.991 179.024 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -64.24 -38.47 91.15 Favored 'General case' 0 N--CA 1.455 -0.199 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.239 179.468 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 7.9 mt-10 -67.04 -31.77 72.52 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.173 179.373 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 4.1 mtmt -69.62 -37.08 76.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.047 179.265 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 63.2 mt -67.15 -35.61 80.07 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.283 179.347 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -69.43 -31.63 70.08 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.0 179.266 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 28.6 t -68.78 -31.22 70.1 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.065 179.194 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.26 -33.38 75.21 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.21 179.406 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 35.4 mt -67.28 -32.88 59.46 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.465 179.434 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 0.4 OUTLIER -68.33 -31.63 71.19 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.254 179.409 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 2.7 m-80 -70.37 -30.2 67.05 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.552 179.549 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 18.7 t-105 -79.22 -37.64 37.62 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.797 179.83 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.08 74.99 10.41 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.918 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.367 0 CA-C-N 116.298 -0.41 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.323 0 CA-C-O 120.801 0.334 . . . . 0.0 111.043 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.98 47.12 0.95 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.917 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -147.23 37.29 0.93 Allowed 'General case' 0 CA--C 1.514 -0.408 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.134 179.83 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 38.3 t -66.9 -12.52 15.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 N-CA-C 107.863 -1.162 . . . . 0.0 107.863 176.507 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 29.0 t80 -42.91 -28.99 0.29 Allowed 'General case' 0 N--CA 1.45 -0.453 0 CA-C-N 114.154 -1.385 . . . . 0.0 111.915 179.136 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 15.3 tttp -67.04 -44.82 79.22 Favored 'General case' 0 C--N 1.315 -0.894 0 CA-C-N 115.379 -0.828 . . . . 0.0 110.101 179.429 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.86 -31.05 70.52 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.093 -0.503 . . . . 0.0 109.902 178.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -63.64 -37.51 87.62 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.998 -0.547 . . . . 0.0 110.174 179.424 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -67.13 -32.73 74.05 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.261 179.462 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -69.69 -34.38 73.85 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.071 -0.513 . . . . 0.0 109.943 179.218 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -66.25 -33.27 75.38 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.193 179.313 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -67.26 -35.19 79.0 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.236 179.431 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 22.9 p -66.34 -31.03 71.56 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.097 179.286 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 10.7 mmtt -67.23 -31.9 72.58 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.311 179.424 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 34.8 mt -67.51 -36.02 75.02 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.524 179.418 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 44.4 t-105 -67.84 -32.04 72.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.184 179.338 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 45.1 m-80 -70.5 -30.31 67.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.421 179.505 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 6.8 m95 -75.48 -30.58 59.94 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.842 179.884 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 10.7 mptt -82.11 91.23 6.64 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.845 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.326 -0.397 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.358 0 CA-C-O 120.825 0.345 . . . . 0.0 111.049 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 6.1 ttmt -95.88 47.83 1.11 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.909 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.88 38.13 2.17 Favored 'General case' 0 CA--C 1.514 -0.428 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.185 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 17.0 t -64.15 -15.56 17.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 N-CA-C 107.807 -1.182 . . . . 0.0 107.807 176.437 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 24.1 t80 -43.39 -28.88 0.38 Allowed 'General case' 0 N--CA 1.45 -0.47 0 CA-C-N 114.095 -1.411 . . . . 0.0 111.689 178.798 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 30.0 tttp -65.5 -44.91 85.59 Favored 'General case' 0 C--N 1.315 -0.897 0 CA-C-N 115.297 -0.865 . . . . 0.0 110.184 179.459 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -60.81 -32.98 72.33 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.178 -0.465 . . . . 0.0 109.865 179.104 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 4.0 tp -62.96 -34.13 76.85 Favored 'General case' 0 N--CA 1.454 -0.229 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.166 179.418 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -65.13 -33.24 75.56 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.328 179.545 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 6.2 ttpp -69.16 -43.39 74.36 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.162 -0.472 . . . . 0.0 109.973 179.338 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -65.88 -31.07 71.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.026 -0.533 . . . . 0.0 109.895 179.117 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 1.3 t80 -68.95 -32.96 72.93 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.093 179.193 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 14.2 t -66.14 -33.64 76.24 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.062 179.27 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 11.1 mttt -64.74 -31.33 72.51 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.119 179.289 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.429 HG22 HD12 ' A' ' 15' ' ' ILE . 37.7 mt -65.62 -34.12 68.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.531 179.507 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 0.6 OUTLIER -67.51 -39.12 85.14 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.406 179.549 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 1.4 m-80 -71.72 -27.85 63.29 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.523 179.508 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 2.4 t-105 -85.05 -29.16 25.17 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.863 179.884 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 1.1 mttm -71.51 114.18 9.31 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.851 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.354 0 CA-C-N 116.362 -0.381 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.318 0 CA-C-O 120.817 0.341 . . . . 0.0 111.067 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -100.11 54.5 0.91 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.662 179.92 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.35 38.48 3.05 Favored 'General case' 0 CA--C 1.515 -0.388 0 CA-C-N 116.013 -0.54 . . . . 0.0 111.116 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 16.1 t -64.01 -15.0 16.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 N-CA-C 107.752 -1.203 . . . . 0.0 107.752 176.349 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 31.6 t80 -44.75 -28.49 0.63 Allowed 'General case' 0 N--CA 1.449 -0.49 0 CA-C-N 114.183 -1.371 . . . . 0.0 111.452 178.707 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -64.62 -41.03 96.46 Favored 'General case' 0 C--N 1.316 -0.864 0 CA-C-N 115.229 -0.896 . . . . 0.0 110.078 179.374 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 8.7 mtt180 -59.39 -32.95 70.63 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.155 -0.475 . . . . 0.0 109.991 179.033 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -61.29 -36.07 79.05 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.383 179.504 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -64.46 -35.51 81.16 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.328 179.604 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 3.0 tptt -66.56 -39.14 88.37 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.178 -0.464 . . . . 0.0 109.946 179.269 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -62.77 -30.61 71.58 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.967 -0.56 . . . . 0.0 109.999 179.135 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 39.5 t80 -64.42 -36.8 85.32 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.287 179.376 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 51.5 p -62.92 -33.96 76.44 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.201 179.439 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -64.92 -30.37 71.36 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.236 179.345 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 35.8 mt -66.42 -34.32 69.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.541 179.506 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 1.0 OUTLIER -67.8 -30.43 69.86 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.523 179.53 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 83.5 m-20 -73.81 -26.76 60.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.656 179.569 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 6.9 t90 -82.69 -33.26 27.72 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.913 179.9 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.99 -32.61 22.87 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.882 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.372 0 CA-C-N 116.327 -0.397 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.347 0 CA-C-O 120.789 0.328 . . . . 0.0 111.056 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.03 53.55 0.91 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.878 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.28 37.9 1.4 Allowed 'General case' 0 CA--C 1.515 -0.4 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.131 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 7.2 p -65.14 -14.29 16.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 N-CA-C 107.798 -1.186 . . . . 0.0 107.798 176.416 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 12.2 t80 -44.86 -28.04 0.6 Allowed 'General case' 0 N--CA 1.449 -0.502 0 CA-C-N 114.141 -1.391 . . . . 0.0 111.703 178.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 2.9 tmtt? -66.98 -40.73 87.48 Favored 'General case' 0 C--N 1.316 -0.885 0 CA-C-N 115.274 -0.875 . . . . 0.0 110.134 179.502 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -61.78 -32.77 73.07 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.067 -0.515 . . . . 0.0 109.989 179.162 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.3 mt -63.63 -39.19 93.72 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.249 179.499 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -66.28 -31.42 72.21 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.237 179.448 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -69.98 -36.23 75.04 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.125 179.346 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -67.47 -34.84 78.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.187 179.279 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -67.72 -33.18 74.38 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.113 -0.494 . . . . 0.0 109.963 179.201 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 6.1 t -65.42 -31.91 73.26 Favored 'General case' 0 N--CA 1.453 -0.282 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.072 179.147 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.98 -34.37 77.83 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.275 179.364 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 8.8 mm -63.63 -33.68 63.14 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.423 179.387 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 0.6 OUTLIER -67.35 -25.46 66.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.467 179.375 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 2.6 t30 -75.2 -26.3 58.87 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.667 179.606 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . 0.413 ' HA ' ' CE3' ' A' ' 18' ' ' TRP . 0.0 OUTLIER -81.74 -31.99 31.74 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.102 -179.919 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.75 -28.99 66.4 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.901 0.381 . . . . 0.0 111.126 -179.818 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.474 -0.33 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.373 0 CA-C-O 120.78 0.324 . . . . 0.0 111.036 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -93.97 47.73 1.23 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.895 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 42.2 pttt -140.86 38.2 1.8 Allowed 'General case' 0 CA--C 1.514 -0.43 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.019 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 7.3 p -64.94 -13.71 15.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 N-CA-C 107.834 -1.173 . . . . 0.0 107.834 176.508 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 13.0 t80 -44.71 -28.07 0.57 Allowed 'General case' 0 N--CA 1.449 -0.487 0 CA-C-N 114.184 -1.371 . . . . 0.0 111.88 179.055 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 1.9 ttpp -68.11 -39.63 82.76 Favored 'General case' 0 C--N 1.315 -0.924 0 CA-C-N 115.425 -0.807 . . . . 0.0 110.032 179.506 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.71 -31.98 72.17 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.025 179.108 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.1 tt -63.37 -41.73 98.83 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.229 179.376 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 24.1 mt-10 -68.07 -31.4 71.01 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.248 -0.433 . . . . 0.0 109.895 179.188 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 1.7 tttp -69.6 -31.09 69.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.976 -0.556 . . . . 0.0 109.844 179.006 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 6.3 tp -65.53 -34.21 77.72 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.101 179.238 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 89.0 t80 -63.88 -34.49 78.06 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.263 179.442 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -65.1 -35.55 81.5 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.337 179.52 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 40.3 mttp -65.84 -36.14 82.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.177 179.434 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 53.8 mt -65.66 -29.49 47.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.209 179.157 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 2.5 t-105 -67.66 -35.26 78.54 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.424 179.494 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 6.1 m-80 -69.31 -31.25 69.6 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.736 179.803 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 0.4 OUTLIER -82.91 -31.8 27.61 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.779 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.08 113.92 6.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.851 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.326 -0.397 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.372 0 CA-C-O 120.822 0.344 . . . . 0.0 111.019 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 4.3 tttp -100.01 54.2 0.91 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.747 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 7.1 tptp -95.4 38.61 1.14 Allowed 'General case' 0 CA--C 1.515 -0.366 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.316 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 7.1 p -65.52 -14.13 16.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 N-CA-C 107.825 -1.176 . . . . 0.0 107.825 176.464 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 52.5 t80 -40.64 -30.96 0.13 Allowed 'General case' 0 N--CA 1.45 -0.429 0 CA-C-N 114.163 -1.381 . . . . 0.0 111.798 178.92 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -65.09 -49.56 69.54 Favored 'General case' 0 C--N 1.315 -0.919 0 CA-C-N 115.209 -0.905 . . . . 0.0 110.122 179.422 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 9.2 mtm180 -62.15 -33.61 74.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.141 -0.481 . . . . 0.0 109.867 178.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.9 mp -65.98 -35.52 80.81 Favored 'General case' 0 N--CA 1.454 -0.261 0 CA-C-N 115.868 -0.606 . . . . 0.0 110.098 179.286 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 19.2 mm-40 -68.25 -31.92 71.74 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.102 179.275 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 6.5 mtmp? -70.06 -38.59 75.83 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.003 179.237 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 7.6 tt -66.5 -32.85 74.47 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.163 179.303 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -68.38 -34.26 75.73 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.111 179.289 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 59.0 m -66.19 -32.4 73.81 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.037 179.223 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 3.2 mttm -65.5 -32.19 73.66 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.229 179.328 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 44.2 mt -65.95 -33.17 61.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.415 179.426 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 0.9 OUTLIER -66.64 -32.7 74.19 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.306 179.471 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 29.4 m120 -68.96 -30.19 68.58 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.518 179.558 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 6.7 m95 -76.13 -37.29 58.22 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.766 179.814 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -85.05 -65.19 1.04 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.924 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.35 0 CA-C-N 116.33 -0.395 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.34 0 CA-C-O 120.842 0.353 . . . . 0.0 110.998 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.96 47.81 1.11 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.945 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 8.1 pttt -108.3 37.95 2.35 Favored 'General case' 0 CA--C 1.514 -0.413 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.156 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 7.4 p -65.38 -13.93 16.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 N-CA-C 107.83 -1.174 . . . . 0.0 107.83 176.496 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 36.2 t80 -43.0 -29.19 0.32 Allowed 'General case' 0 N--CA 1.451 -0.412 0 CA-C-N 114.128 -1.397 . . . . 0.0 111.77 178.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 6.9 ttpp -66.27 -44.25 84.13 Favored 'General case' 0 C--N 1.315 -0.921 0 CA-C-N 115.356 -0.838 . . . . 0.0 110.19 179.502 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.71 -33.95 74.92 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.146 -0.479 . . . . 0.0 109.9 179.087 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.8 mt -63.77 -38.81 92.48 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.157 179.435 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -68.76 -31.36 70.33 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.17 -0.468 . . . . 0.0 109.998 179.171 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 1.2 mmtp -70.05 -33.87 72.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.002 -0.544 . . . . 0.0 109.926 179.195 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 7.6 tt -67.07 -35.93 80.91 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.273 179.414 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -68.02 -36.48 80.02 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.075 179.309 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 60.2 p -66.81 -30.41 70.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.068 -0.515 . . . . 0.0 109.97 179.159 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 28.8 ttmt -66.85 -33.25 75.2 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.157 179.361 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.403 HD11 HG23 ' A' ' 15' ' ' ILE . 8.0 mm -66.02 -33.71 65.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.52 179.49 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -68.22 -30.31 69.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.387 179.457 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 17.7 t30 -72.49 -31.1 65.1 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.659 179.666 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 46.4 t90 -80.64 -30.07 36.67 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.927 179.85 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 21.7 ttpt -67.5 92.11 0.3 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.919 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.326 -0.397 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.365 0 CA-C-O 120.869 0.366 . . . . 0.0 111.034 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -94.86 47.0 1.14 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.938 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -169.95 36.99 0.02 OUTLIER 'General case' 0 CA--C 1.514 -0.441 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.99 179.924 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 32.8 t -65.46 -13.69 15.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 N-CA-C 107.97 -1.122 . . . . 0.0 107.97 176.556 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 13.8 t80 -42.79 -29.98 0.35 Allowed 'General case' 0 N--CA 1.451 -0.416 0 CA-C-N 114.107 -1.406 . . . . 0.0 111.962 179.205 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.11 -44.91 71.48 Favored 'General case' 0 C--N 1.313 -1.003 0 CA-C-N 115.461 -0.791 . . . . 0.0 109.836 179.367 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 7.5 mtp180 -60.35 -29.54 68.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.96 -0.564 . . . . 0.0 109.786 178.721 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.97 -36.45 83.53 Favored 'General case' 0 N--CA 1.455 -0.212 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.208 179.35 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 10.8 mt-10 -66.17 -36.79 84.02 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.31 179.43 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 7.2 mmtt -67.2 -32.2 73.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.158 -0.474 . . . . 0.0 109.873 179.197 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -65.23 -32.39 74.03 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.089 179.219 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 31.3 t80 -64.69 -33.83 76.87 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.326 179.445 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 31.1 t -65.24 -35.38 80.88 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.297 179.502 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 1.5 mmtt -65.38 -34.85 79.27 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.229 179.463 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 7.9 mm -66.43 -31.61 54.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.481 179.439 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 11.7 t-105 -69.22 -32.36 71.57 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.323 179.491 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 1.5 m120 -72.0 -29.48 64.26 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.597 179.61 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 79.1 t90 -80.19 -30.47 38.75 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.805 179.833 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.01 83.34 4.32 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.858 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.361 0 CA-C-N 116.337 -0.392 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.487 1.383 0 CA-C-O 120.811 0.338 . . . . 0.0 111.035 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 1.6 tttt -94.15 46.8 1.18 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.884 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 11.3 tttt -140.54 38.61 1.86 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.239 179.906 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 7.5 p -64.61 -15.13 17.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 N-CA-C 107.774 -1.195 . . . . 0.0 107.774 176.477 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 57.8 t80 -42.21 -30.05 0.28 Allowed 'General case' 0 N--CA 1.45 -0.458 0 CA-C-N 114.071 -1.422 . . . . 0.0 111.713 178.925 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 2.9 tttm -65.48 -46.13 80.98 Favored 'General case' 0 C--N 1.314 -0.938 0 CA-C-N 115.299 -0.864 . . . . 0.0 110.079 179.506 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 8.9 mtp180 -61.38 -33.11 73.12 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.056 179.156 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -66.27 -36.21 82.41 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.965 -0.562 . . . . 0.0 110.127 179.519 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -68.41 -30.5 69.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.074 179.28 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -69.98 -39.68 75.81 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.087 -0.506 . . . . 0.0 109.964 179.188 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 94.7 mt -65.08 -34.57 78.72 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.159 179.28 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 1.6 t80 -67.22 -31.55 72.0 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.197 -0.456 . . . . 0.0 109.951 179.091 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -65.66 -32.06 73.41 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.122 179.294 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 13.7 mttp -65.01 -36.72 85.31 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.3 179.381 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.47 HG22 HD11 ' A' ' 15' ' ' ILE . 47.4 mt -64.38 -30.8 51.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.278 179.187 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 0.6 OUTLIER -66.56 -30.71 71.08 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.366 179.409 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -69.37 -31.3 69.63 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.693 179.706 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -77.32 -31.85 54.88 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.845 179.879 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -76.7 -18.06 58.74 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.253 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.257 0 CA-C-N 116.613 -0.267 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.334 0 CA-C-O 120.824 0.345 . . . . 0.0 111.025 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 3.5 pttp -99.95 53.59 0.91 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.88 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -97.82 38.89 1.25 Allowed 'General case' 0 CA--C 1.514 -0.422 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.179 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 7.4 p -63.83 -15.09 16.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 N-CA-C 107.737 -1.208 . . . . 0.0 107.737 176.398 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 14.3 t80 -45.56 -27.63 0.8 Allowed 'General case' 0 N--CA 1.449 -0.508 0 CA-C-N 114.152 -1.386 . . . . 0.0 111.541 178.718 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 27.1 tttp -66.23 -39.16 89.35 Favored 'General case' 0 C--N 1.316 -0.887 0 CA-C-N 115.289 -0.868 . . . . 0.0 110.092 179.409 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.66 -33.44 72.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.021 179.192 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.29 -41.93 98.91 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.257 179.5 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -66.57 -30.97 71.39 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.071 179.262 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 5.9 tttt -69.89 -33.63 72.46 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.948 -0.569 . . . . 0.0 109.987 179.236 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 1.1 mp -66.66 -33.02 74.72 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.177 179.391 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 3.2 t80 -67.65 -33.77 75.62 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.218 179.402 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 58.7 m -66.46 -32.9 74.55 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.153 179.33 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.99 -32.99 74.79 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.196 179.366 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 8.0 mm -66.53 -31.75 54.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.481 179.46 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 23.1 m95 -68.67 -31.76 71.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.359 179.422 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 22.1 m-20 -71.8 -30.32 65.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.641 179.648 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -81.83 -32.69 31.09 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.838 179.87 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 6.3 mtpm? -85.03 160.59 19.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.906 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.349 0 CA-C-N 116.38 -0.373 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.344 0 CA-C-O 120.895 0.379 . . . . 0.0 111.004 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.03 48.15 0.93 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.909 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 15.8 tttt -169.73 38.28 0.02 OUTLIER 'General case' 0 CA--C 1.515 -0.391 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.178 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 22.0 t -63.22 -16.27 17.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 N-CA-C 107.671 -1.233 . . . . 0.0 107.671 176.416 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 10.7 t80 -44.81 -28.4 0.64 Allowed 'General case' 0 N--CA 1.448 -0.529 0 CA-C-N 114.107 -1.406 . . . . 0.0 111.418 178.557 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 6.9 ttmm -64.38 -42.07 96.35 Favored 'General case' 0 C--N 1.317 -0.837 0 CA-C-N 115.173 -0.922 . . . . 0.0 110.222 179.473 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.62 -38.46 87.74 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.157 179.25 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.5 mt -63.25 -33.6 75.84 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.101 179.412 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -65.47 -33.14 75.24 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.085 179.237 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -67.41 -46.69 72.44 Favored 'General case' 0 N--CA 1.454 -0.24 0 CA-C-N 116.008 -0.542 . . . . 0.0 109.984 179.185 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -65.0 -31.47 72.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.471 . . . . 0.0 109.838 179.063 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -68.37 -31.88 71.57 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.065 -0.516 . . . . 0.0 109.834 179.062 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 15.0 p -64.5 -33.24 75.44 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.136 179.274 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 46.5 tttt -64.41 -32.29 73.85 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.314 179.499 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.461 HG22 HD12 ' A' ' 15' ' ' ILE . 37.2 mt -66.24 -33.99 67.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.501 179.517 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 0.4 OUTLIER -67.05 -32.09 73.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.315 179.506 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -70.68 -29.81 66.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.503 179.613 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -77.03 -30.88 55.96 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.809 179.846 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 3.3 ttpp -76.91 136.47 38.82 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.858 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.332 -0.395 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.373 0 CA-C-O 120.918 0.39 . . . . 0.0 111.018 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 4.5 ptmt -94.39 51.13 1.42 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.839 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 16.0 pttt 46.15 37.47 3.95 Favored 'General case' 0 CA--C 1.516 -0.365 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.524 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 44.7 t -65.21 -14.16 16.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 N-CA-C 107.881 -1.155 . . . . 0.0 107.881 176.528 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 55.8 t80 -44.51 -28.2 0.55 Allowed 'General case' 0 N--CA 1.45 -0.463 0 CA-C-N 114.103 -1.408 . . . . 0.0 111.773 178.89 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 3.8 tmtm? -67.16 -41.0 86.74 Favored 'General case' 0 C--N 1.315 -0.929 0 CA-C-N 115.331 -0.85 . . . . 0.0 110.152 179.459 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 1.6 mmm180 -61.8 -33.12 73.55 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.024 179.148 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.8 tp -64.4 -39.22 93.43 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.283 179.511 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -66.0 -30.44 70.99 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.154 179.285 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 24.3 tttt -69.45 -39.43 77.76 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.086 179.349 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 1.7 mp -66.57 -36.18 82.02 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.131 179.342 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -68.62 -29.8 68.38 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.081 -0.509 . . . . 0.0 109.991 179.191 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -68.61 -32.89 73.09 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.183 179.306 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 6.5 tttt -68.26 -41.61 80.82 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.206 179.397 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 39.9 mt -67.55 -30.53 49.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.135 179.149 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -70.17 -30.31 67.42 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.144 179.206 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 -70.64 -31.61 68.62 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.602 179.656 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 7.4 t90 -85.01 -30.47 24.15 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.907 179.816 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 20.1 mttt -59.77 -39.42 84.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.897 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.361 0 CA-C-N 116.308 -0.406 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.34 0 CA-C-O 120.842 0.353 . . . . 0.0 111.042 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -94.33 47.15 1.18 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.758 179.939 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 48.4 tttp -146.37 38.68 1.06 Allowed 'General case' 0 CA--C 1.514 -0.418 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.212 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 20.0 t -62.88 -16.54 17.49 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 N-CA-C 107.802 -1.184 . . . . 0.0 107.802 176.427 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 42.0 t80 -44.32 -28.47 0.54 Allowed 'General case' 0 N--CA 1.449 -0.486 0 CA-C-N 114.001 -1.454 . . . . 0.0 111.588 178.705 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -65.53 -42.6 91.79 Favored 'General case' 0 C--N 1.315 -0.892 0 CA-C-N 115.267 -0.879 . . . . 0.0 110.204 179.508 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 6.4 mtp180 -61.17 -34.55 75.21 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.105 179.199 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -64.07 -39.48 94.16 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.125 179.45 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -67.14 -30.31 70.26 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.041 179.203 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 10.8 mttp -70.0 -38.06 75.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.059 179.277 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -67.04 -34.87 78.64 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.133 179.408 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -69.05 -32.38 71.82 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.068 179.21 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -67.47 -32.15 72.78 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.046 179.251 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.34 -34.18 77.4 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.275 179.433 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.403 HG21 HD13 ' A' ' 15' ' ' ILE . 35.0 mt -66.68 -32.34 57.6 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.404 179.469 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 2.3 t-105 -68.37 -31.32 70.62 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.042 -0.527 . . . . 0.0 110.308 179.434 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 3.2 t-20 -70.75 -31.06 67.75 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.584 179.694 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -77.28 -30.67 54.36 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.802 179.861 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 24.9 tttt -71.36 84.04 0.79 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.925 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.344 0 CA-C-N 116.327 -0.397 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.328 0 CA-C-O 120.844 0.354 . . . . 0.0 111.035 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 9.9 ptmt -100.05 54.01 0.91 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.788 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER 46.37 38.15 4.95 Favored 'General case' 0 CA--C 1.516 -0.362 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.514 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 40.5 t -64.8 -14.33 16.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 N-CA-C 107.832 -1.173 . . . . 0.0 107.832 176.495 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 24.9 t80 -43.61 -28.66 0.41 Allowed 'General case' 0 N--CA 1.45 -0.468 0 CA-C-N 114.144 -1.389 . . . . 0.0 111.808 178.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.413 ' O ' ' CG ' ' A' ' 9' ' ' GLU . 0.0 OUTLIER -67.33 -42.32 83.78 Favored 'General case' 0 C--N 1.315 -0.916 0 CA-C-N 115.332 -0.849 . . . . 0.0 110.247 179.582 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.46 -29.04 70.38 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.234 -0.439 . . . . 0.0 109.932 179.06 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -66.21 -41.16 90.52 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.505 179.657 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . 0.413 ' CG ' ' O ' ' A' ' 6' ' ' LYS . 0.1 OUTLIER -65.97 -27.74 68.38 Favored 'General case' 0 C--N 1.332 -0.186 0 C-N-CA 120.776 -0.369 . . . . 0.0 110.167 179.492 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.406 ' N ' ' HG3' ' A' ' 9' ' ' GLU . 0.0 OUTLIER -70.25 -41.02 74.08 Favored 'General case' 0 N--CA 1.454 -0.231 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.054 179.095 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 74.8 mt -63.09 -31.37 72.5 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.093 179.217 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 71.2 t80 -66.14 -33.28 75.41 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.202 179.398 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 12.9 t -65.27 -35.1 79.98 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.3 179.448 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 22.9 mtpt -65.69 -31.88 73.14 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.378 179.432 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.423 HD12 HG23 ' A' ' 15' ' ' ILE . 36.1 mt -67.95 -33.81 63.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.526 179.436 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -68.93 -32.36 71.92 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.303 179.501 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 1.1 t30 -72.16 -28.84 63.49 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.449 179.507 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -78.45 -30.47 47.51 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.754 179.833 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.13 146.32 29.66 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.895 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.332 -0.394 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 46.3 t . . . . . 0 N--CA 1.453 -0.279 0 N-CA-C 107.776 -1.194 . . . . 0.0 107.776 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 54.3 t80 -43.26 -29.05 0.36 Allowed 'General case' 0 N--CA 1.45 -0.426 0 CA-C-N 114.095 -1.411 . . . . 0.0 111.666 178.792 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.08 -44.6 83.96 Favored 'General case' 0 C--N 1.315 -0.928 0 CA-C-N 115.33 -0.85 . . . . 0.0 110.228 179.551 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 2.7 mpp_? -62.05 -32.0 72.47 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.186 -0.461 . . . . 0.0 109.926 179.092 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 4.1 tp -64.58 -33.12 75.18 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.194 179.375 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 11.8 mt-10 -65.3 -34.36 78.15 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.361 179.519 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 15.4 tttt -67.99 -43.18 79.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.243 -0.435 . . . . 0.0 109.925 179.256 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 6.3 mt -63.57 -30.21 71.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.057 -0.519 . . . . 0.0 109.914 179.04 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 1.6 t80 -66.15 -33.16 75.14 Favored 'General case' 0 N--CA 1.455 -0.215 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.094 179.241 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 14.7 t -64.26 -37.23 86.76 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.294 179.517 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.15 -32.59 74.21 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.154 179.464 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 37.0 mt -65.88 -31.53 54.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.305 179.306 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 2.9 m0 -66.94 -31.46 72.06 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.418 179.523 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -70.68 -32.36 69.58 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.706 179.762 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' TRP . . . . . 0.4 ' CE3' ' HA ' ' A' ' 18' ' ' TRP . 0.0 OUTLIER -85.05 -29.88 24.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.822 179.92 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.248 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.871 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 40.1 t . . . . . 0 N--CA 1.454 -0.24 0 N-CA-C 107.863 -1.162 . . . . 0.0 107.863 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 13.2 t80 -45.23 -27.7 0.67 Allowed 'General case' 0 N--CA 1.449 -0.496 0 CA-C-N 114.157 -1.383 . . . . 0.0 111.693 179.025 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.31 -39.63 85.93 Favored 'General case' 0 C--N 1.315 -0.903 0 CA-C-N 115.362 -0.835 . . . . 0.0 110.16 179.452 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 2.2 mtp-105 -61.6 -32.65 72.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.014 179.148 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.96 -41.62 99.58 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.284 179.453 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -64.05 -31.38 72.55 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.064 179.352 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -67.4 -39.21 85.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.084 179.339 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -64.96 -37.88 89.11 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.218 179.34 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -66.8 -30.5 70.71 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.051 179.204 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 3.7 m -67.53 -33.22 74.62 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.169 179.274 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -66.07 -32.35 73.77 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.266 179.46 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 44.5 mt -67.49 -35.67 74.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.491 179.485 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 18.0 m95 -67.23 -29.27 68.86 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.299 179.34 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 3.1 t30 -71.3 -31.56 67.58 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.58 179.666 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -84.98 -30.69 24.03 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.815 179.824 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.33 -0.247 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.921 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 42.4 t . . . . . 0 N--CA 1.455 -0.193 0 N-CA-C 107.794 -1.187 . . . . 0.0 107.794 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 55.6 t80 -44.86 -28.42 0.65 Allowed 'General case' 0 N--CA 1.449 -0.51 0 CA-C-N 114.127 -1.397 . . . . 0.0 111.6 178.76 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.95 -40.47 91.36 Favored 'General case' 0 C--N 1.315 -0.902 0 CA-C-N 115.234 -0.893 . . . . 0.0 110.188 179.501 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 1.5 mmm180 -61.68 -34.56 75.96 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.095 179.2 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -63.38 -36.03 82.37 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.288 179.515 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 30.5 mt-10 -67.01 -33.27 75.19 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.169 179.384 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -67.81 -39.29 83.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.048 -0.524 . . . . 0.0 109.838 179.127 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -62.22 -30.86 71.39 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.022 -0.536 . . . . 0.0 109.921 179.044 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -63.67 -33.16 75.02 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.056 179.25 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -61.78 -36.99 82.69 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.292 179.423 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 13.9 tttt -61.62 -32.01 72.13 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.163 179.299 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 36.4 mt -63.58 -31.51 53.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.198 179.243 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -63.85 -33.14 75.03 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.388 179.46 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 2.4 m120 -66.76 -35.46 80.15 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.689 179.784 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -85.04 -36.3 21.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.822 179.939 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 6.2 tttm . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.839 179.998 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 39.7 t . . . . . 0 N--CA 1.455 -0.189 0 N-CA-C 107.777 -1.194 . . . . 0.0 107.777 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 28.0 t80 -45.35 -28.09 0.79 Allowed 'General case' 0 N--CA 1.448 -0.554 0 CA-C-N 114.104 -1.407 . . . . 0.0 111.425 178.51 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.96 -39.31 93.29 Favored 'General case' 0 C--N 1.316 -0.868 0 CA-C-N 115.184 -0.916 . . . . 0.0 110.158 179.441 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -60.75 -35.17 75.73 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.124 179.235 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.452 HD12 ' HA ' ' A' ' 8' ' ' LEU . 11.2 tp -62.5 -40.94 98.34 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.305 179.519 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -64.16 -31.65 72.93 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.101 179.232 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.1 -40.22 86.87 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.049 179.32 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 80.6 mt -64.79 -36.82 85.55 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.243 179.368 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -67.81 -32.6 73.25 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.138 -0.483 . . . . 0.0 109.967 179.287 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 1.2 t -66.95 -31.3 71.78 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.066 179.222 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.42 -34.24 77.5 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.353 179.445 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 34.1 mt -67.36 -34.79 71.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.537 179.533 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 13.9 t90 -69.14 -31.48 70.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.28 179.391 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 52.8 t-20 -72.16 -29.73 64.31 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.51 179.487 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 0.8 OUTLIER -78.4 -30.16 47.63 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.826 179.775 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 1.5 ttpm? . . . . . 0 C--N 1.33 -0.265 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.874 179.999 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 7.3 p . . . . . 0 N--CA 1.455 -0.209 0 N-CA-C 107.711 -1.218 . . . . 0.0 107.711 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 5' ' ' PHE . . . . . 0.412 ' HA ' HD12 ' A' ' 8' ' ' LEU . 51.2 t80 -43.31 -29.26 0.4 Allowed 'General case' 0 N--CA 1.45 -0.449 0 CA-C-N 114.111 -1.404 . . . . 0.0 111.758 178.912 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -66.41 -44.37 83.18 Favored 'General case' 0 C--N 1.315 -0.931 0 CA-C-N 115.275 -0.875 . . . . 0.0 110.239 179.621 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 3.4 mpt_? -62.99 -34.24 77.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.127 -0.488 . . . . 0.0 109.967 179.159 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.412 HD12 ' HA ' ' A' ' 5' ' ' PHE . 9.8 mt -65.07 -36.01 82.96 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.158 179.447 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -69.14 -31.95 70.98 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.071 179.273 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.13 -35.93 74.43 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.059 179.293 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -68.38 -35.38 77.62 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.146 179.386 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -69.23 -32.13 71.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 0.0 109.996 179.285 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -68.7 -31.24 70.19 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.1 179.198 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -67.64 -32.81 73.77 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.184 179.376 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 37.5 mt -67.41 -31.25 52.01 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.449 179.453 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -69.62 -33.08 72.14 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.454 179.59 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -73.2 -30.06 63.25 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.589 179.692 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 4.4 m0 -84.96 -30.04 24.6 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.908 179.811 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 74.7 tttt . . . . . 0 C--N 1.33 -0.248 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.864 179.998 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 45.3 t . . . . . 0 N--CA 1.454 -0.23 0 N-CA-C 107.855 -1.165 . . . . 0.0 107.855 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 59.0 t80 -43.87 -28.5 0.45 Allowed 'General case' 0 N--CA 1.45 -0.449 0 CA-C-N 114.129 -1.396 . . . . 0.0 111.931 179.157 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -68.31 -41.48 80.82 Favored 'General case' 0 C--N 1.315 -0.899 0 CA-C-N 115.42 -0.809 . . . . 0.0 110.076 179.548 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 5.7 mtt180 -62.18 -31.45 71.96 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.077 -0.51 . . . . 0.0 109.991 179.024 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -64.24 -38.47 91.15 Favored 'General case' 0 N--CA 1.455 -0.199 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.239 179.468 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 7.9 mt-10 -67.04 -31.77 72.52 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.173 179.373 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 4.1 mtmt -69.62 -37.08 76.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.047 179.265 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 63.2 mt -67.15 -35.61 80.07 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.283 179.347 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -69.43 -31.63 70.08 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.0 179.266 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 28.6 t -68.78 -31.22 70.1 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.065 179.194 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.26 -33.38 75.21 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.21 179.406 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 35.4 mt -67.28 -32.88 59.46 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.465 179.434 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 0.4 OUTLIER -68.33 -31.63 71.19 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.254 179.409 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 2.7 m-80 -70.37 -30.2 67.05 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.552 179.549 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 18.7 t-105 -79.22 -37.64 37.62 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.797 179.83 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.918 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 38.3 t . . . . . 0 N--CA 1.454 -0.269 0 N-CA-C 107.863 -1.162 . . . . 0.0 107.863 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 29.0 t80 -42.91 -28.99 0.29 Allowed 'General case' 0 N--CA 1.45 -0.453 0 CA-C-N 114.154 -1.385 . . . . 0.0 111.915 179.136 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 15.3 tttp -67.04 -44.82 79.22 Favored 'General case' 0 C--N 1.315 -0.894 0 CA-C-N 115.379 -0.828 . . . . 0.0 110.101 179.429 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.86 -31.05 70.52 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.093 -0.503 . . . . 0.0 109.902 178.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -63.64 -37.51 87.62 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.998 -0.547 . . . . 0.0 110.174 179.424 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -67.13 -32.73 74.05 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.261 179.462 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -69.69 -34.38 73.85 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.071 -0.513 . . . . 0.0 109.943 179.218 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -66.25 -33.27 75.38 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.193 179.313 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -67.26 -35.19 79.0 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.236 179.431 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 22.9 p -66.34 -31.03 71.56 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.097 179.286 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 10.7 mmtt -67.23 -31.9 72.58 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.311 179.424 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 34.8 mt -67.51 -36.02 75.02 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.524 179.418 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 44.4 t-105 -67.84 -32.04 72.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.184 179.338 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 45.1 m-80 -70.5 -30.31 67.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.421 179.505 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 6.8 m95 -75.48 -30.58 59.94 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.842 179.884 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 10.7 mptt . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.845 -179.983 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 17.0 t . . . . . 0 N--CA 1.455 -0.223 0 N-CA-C 107.807 -1.182 . . . . 0.0 107.807 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 24.1 t80 -43.39 -28.88 0.38 Allowed 'General case' 0 N--CA 1.45 -0.47 0 CA-C-N 114.095 -1.411 . . . . 0.0 111.689 178.798 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 30.0 tttp -65.5 -44.91 85.59 Favored 'General case' 0 C--N 1.315 -0.897 0 CA-C-N 115.297 -0.865 . . . . 0.0 110.184 179.459 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -60.81 -32.98 72.33 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.178 -0.465 . . . . 0.0 109.865 179.104 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 4.0 tp -62.96 -34.13 76.85 Favored 'General case' 0 N--CA 1.454 -0.229 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.166 179.418 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -65.13 -33.24 75.56 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.328 179.545 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 6.2 ttpp -69.16 -43.39 74.36 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.162 -0.472 . . . . 0.0 109.973 179.338 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -65.88 -31.07 71.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.026 -0.533 . . . . 0.0 109.895 179.117 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 1.3 t80 -68.95 -32.96 72.93 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.093 179.193 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 14.2 t -66.14 -33.64 76.24 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.062 179.27 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 11.1 mttt -64.74 -31.33 72.51 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.119 179.289 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 37.7 mt -65.62 -34.12 68.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.531 179.507 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 0.6 OUTLIER -67.51 -39.12 85.14 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.406 179.549 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 1.4 m-80 -71.72 -27.85 63.29 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.523 179.508 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 2.4 t-105 -85.05 -29.16 25.17 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.863 179.884 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 1.1 mttm . . . . . 0 C--N 1.331 -0.231 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.851 -180.0 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 16.1 t . . . . . 0 N--CA 1.455 -0.181 0 N-CA-C 107.752 -1.203 . . . . 0.0 107.752 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 31.6 t80 -44.75 -28.49 0.63 Allowed 'General case' 0 N--CA 1.449 -0.49 0 CA-C-N 114.183 -1.371 . . . . 0.0 111.452 178.707 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -64.62 -41.03 96.46 Favored 'General case' 0 C--N 1.316 -0.864 0 CA-C-N 115.229 -0.896 . . . . 0.0 110.078 179.374 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 8.7 mtt180 -59.39 -32.95 70.63 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.155 -0.475 . . . . 0.0 109.991 179.033 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -61.29 -36.07 79.05 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.383 179.504 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -64.46 -35.51 81.16 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.328 179.604 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 3.0 tptt -66.56 -39.14 88.37 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.178 -0.464 . . . . 0.0 109.946 179.269 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -62.77 -30.61 71.58 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.967 -0.56 . . . . 0.0 109.999 179.135 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 39.5 t80 -64.42 -36.8 85.32 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.287 179.376 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 51.5 p -62.92 -33.96 76.44 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.201 179.439 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -64.92 -30.37 71.36 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.236 179.345 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 35.8 mt -66.42 -34.32 69.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.541 179.506 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 1.0 OUTLIER -67.8 -30.43 69.86 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.523 179.53 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 83.5 m-20 -73.81 -26.76 60.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.656 179.569 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 6.9 t90 -82.69 -33.26 27.72 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.913 179.9 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.245 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.882 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 7.2 p . . . . . 0 N--CA 1.454 -0.246 0 N-CA-C 107.798 -1.186 . . . . 0.0 107.798 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 12.2 t80 -44.86 -28.04 0.6 Allowed 'General case' 0 N--CA 1.449 -0.502 0 CA-C-N 114.141 -1.391 . . . . 0.0 111.703 178.928 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 2.9 tmtt? -66.98 -40.73 87.48 Favored 'General case' 0 C--N 1.316 -0.885 0 CA-C-N 115.274 -0.875 . . . . 0.0 110.134 179.502 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -61.78 -32.77 73.07 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.067 -0.515 . . . . 0.0 109.989 179.162 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.3 mt -63.63 -39.19 93.72 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.249 179.499 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -66.28 -31.42 72.21 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.237 179.448 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -69.98 -36.23 75.04 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.125 179.346 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -67.47 -34.84 78.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.187 179.279 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -67.72 -33.18 74.38 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.113 -0.494 . . . . 0.0 109.963 179.201 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 6.1 t -65.42 -31.91 73.26 Favored 'General case' 0 N--CA 1.453 -0.282 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.072 179.147 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.98 -34.37 77.83 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.275 179.364 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 8.8 mm -63.63 -33.68 63.14 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.423 179.387 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' TRP . . . . . 0.412 ' CD1' ' HE2' ' A' ' 19' ' ' LYS . 0.6 OUTLIER -67.35 -25.46 66.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.467 179.375 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 2.6 t30 -75.2 -26.3 58.87 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.667 179.606 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' TRP . . . . . 0.421 ' HA ' ' CE3' ' A' ' 18' ' ' TRP . 0.0 OUTLIER -81.74 -31.99 31.74 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.102 -179.919 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.412 ' HE2' ' CD1' ' A' ' 16' ' ' TRP . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.265 0 CA-C-O 120.901 0.381 . . . . 0.0 111.126 -179.818 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 7.3 p . . . . . 0 N--CA 1.455 -0.2 0 N-CA-C 107.834 -1.173 . . . . 0.0 107.834 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 13.0 t80 -44.71 -28.07 0.57 Allowed 'General case' 0 N--CA 1.449 -0.487 0 CA-C-N 114.184 -1.371 . . . . 0.0 111.88 179.055 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 1.9 ttpp -68.11 -39.63 82.76 Favored 'General case' 0 C--N 1.315 -0.924 0 CA-C-N 115.425 -0.807 . . . . 0.0 110.032 179.506 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.71 -31.98 72.17 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.025 179.108 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.1 tt -63.37 -41.73 98.83 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.229 179.376 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 24.1 mt-10 -68.07 -31.4 71.01 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.248 -0.433 . . . . 0.0 109.895 179.188 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 1.7 tttp -69.6 -31.09 69.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.976 -0.556 . . . . 0.0 109.844 179.006 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 6.3 tp -65.53 -34.21 77.72 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.101 179.238 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 89.0 t80 -63.88 -34.49 78.06 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.263 179.442 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -65.1 -35.55 81.5 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.337 179.52 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 40.3 mttp -65.84 -36.14 82.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.177 179.434 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 53.8 mt -65.66 -29.49 47.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.209 179.157 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 2.5 t-105 -67.66 -35.26 78.54 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.424 179.494 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 6.1 m-80 -69.31 -31.25 69.6 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.736 179.803 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 0.4 OUTLIER -82.91 -31.8 27.61 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.779 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.851 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 7.1 p . . . . . 0 N--CA 1.454 -0.26 0 N-CA-C 107.825 -1.176 . . . . 0.0 107.825 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 52.5 t80 -40.64 -30.96 0.13 Allowed 'General case' 0 N--CA 1.45 -0.429 0 CA-C-N 114.163 -1.381 . . . . 0.0 111.798 178.92 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -65.09 -49.56 69.54 Favored 'General case' 0 C--N 1.315 -0.919 0 CA-C-N 115.209 -0.905 . . . . 0.0 110.122 179.422 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 9.2 mtm180 -62.15 -33.61 74.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.141 -0.481 . . . . 0.0 109.867 178.96 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.9 mp -65.98 -35.52 80.81 Favored 'General case' 0 N--CA 1.454 -0.261 0 CA-C-N 115.868 -0.606 . . . . 0.0 110.098 179.286 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 19.2 mm-40 -68.25 -31.92 71.74 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.102 179.275 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 6.5 mtmp? -70.06 -38.59 75.83 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.003 179.237 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 7.6 tt -66.5 -32.85 74.47 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.163 179.303 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -68.38 -34.26 75.73 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.111 179.289 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 59.0 m -66.19 -32.4 73.81 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.037 179.223 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 3.2 mttm -65.5 -32.19 73.66 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.229 179.328 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 44.2 mt -65.95 -33.17 61.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.415 179.426 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 0.9 OUTLIER -66.64 -32.7 74.19 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.306 179.471 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 29.4 m120 -68.96 -30.19 68.58 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.518 179.558 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 6.7 m95 -76.13 -37.29 58.22 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.766 179.814 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.924 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 7.4 p . . . . . 0 N--CA 1.455 -0.221 0 N-CA-C 107.83 -1.174 . . . . 0.0 107.83 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 5' ' ' PHE . . . . . 0.753 ' HA ' HD12 ' A' ' 8' ' ' LEU . 36.2 t80 -43.0 -29.19 0.32 Allowed 'General case' 0 N--CA 1.451 -0.412 0 CA-C-N 114.128 -1.397 . . . . 0.0 111.77 178.963 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 6.9 ttpp -66.27 -44.25 84.13 Favored 'General case' 0 C--N 1.315 -0.921 0 CA-C-N 115.356 -0.838 . . . . 0.0 110.19 179.502 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.71 -33.95 74.92 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.146 -0.479 . . . . 0.0 109.9 179.087 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.753 HD12 ' HA ' ' A' ' 5' ' ' PHE . 3.8 mt -63.77 -38.81 92.48 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.157 179.435 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -68.76 -31.36 70.33 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.17 -0.468 . . . . 0.0 109.998 179.171 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 1.2 mmtp -70.05 -33.87 72.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.002 -0.544 . . . . 0.0 109.926 179.195 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 7.6 tt -67.07 -35.93 80.91 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.273 179.414 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -68.02 -36.48 80.02 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.075 179.309 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 60.2 p -66.81 -30.41 70.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.068 -0.515 . . . . 0.0 109.97 179.159 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 28.8 ttmt -66.85 -33.25 75.2 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.157 179.361 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 8.0 mm -66.02 -33.71 65.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.52 179.49 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -68.22 -30.31 69.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.387 179.457 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 17.7 t30 -72.49 -31.1 65.1 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.659 179.666 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 46.4 t90 -80.64 -30.07 36.67 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.927 179.85 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 21.7 ttpt . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.919 179.978 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 32.8 t . . . . . 0 N--CA 1.454 -0.251 0 N-CA-C 107.97 -1.122 . . . . 0.0 107.97 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 13.8 t80 -42.79 -29.98 0.35 Allowed 'General case' 0 N--CA 1.451 -0.416 0 CA-C-N 114.107 -1.406 . . . . 0.0 111.962 179.205 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.11 -44.91 71.48 Favored 'General case' 0 C--N 1.313 -1.003 0 CA-C-N 115.461 -0.791 . . . . 0.0 109.836 179.367 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 7.5 mtp180 -60.35 -29.54 68.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.96 -0.564 . . . . 0.0 109.786 178.721 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.97 -36.45 83.53 Favored 'General case' 0 N--CA 1.455 -0.212 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.208 179.35 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 10.8 mt-10 -66.17 -36.79 84.02 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.31 179.43 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 7.2 mmtt -67.2 -32.2 73.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.158 -0.474 . . . . 0.0 109.873 179.197 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -65.23 -32.39 74.03 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.089 179.219 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 31.3 t80 -64.69 -33.83 76.87 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.326 179.445 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 31.1 t -65.24 -35.38 80.88 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.297 179.502 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 1.5 mmtt -65.38 -34.85 79.27 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.229 179.463 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 7.9 mm -66.43 -31.61 54.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.481 179.439 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 11.7 t-105 -69.22 -32.36 71.57 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.323 179.491 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 1.5 m120 -72.0 -29.48 64.26 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.597 179.61 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 79.1 t90 -80.19 -30.47 38.75 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.805 179.833 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.251 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.858 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 7.5 p . . . . . 0 N--CA 1.454 -0.236 0 N-CA-C 107.774 -1.195 . . . . 0.0 107.774 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 57.8 t80 -42.21 -30.05 0.28 Allowed 'General case' 0 N--CA 1.45 -0.458 0 CA-C-N 114.071 -1.422 . . . . 0.0 111.713 178.925 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 2.9 tttm -65.48 -46.13 80.98 Favored 'General case' 0 C--N 1.314 -0.938 0 CA-C-N 115.299 -0.864 . . . . 0.0 110.079 179.506 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 8.9 mtp180 -61.38 -33.11 73.12 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.056 179.156 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -66.27 -36.21 82.41 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.965 -0.562 . . . . 0.0 110.127 179.519 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -68.41 -30.5 69.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.074 179.28 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -69.98 -39.68 75.81 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.087 -0.506 . . . . 0.0 109.964 179.188 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 94.7 mt -65.08 -34.57 78.72 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.159 179.28 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 1.6 t80 -67.22 -31.55 72.0 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.197 -0.456 . . . . 0.0 109.951 179.091 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -65.66 -32.06 73.41 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.122 179.294 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 13.7 mttp -65.01 -36.72 85.31 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.3 179.381 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 47.4 mt -64.38 -30.8 51.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.278 179.187 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 0.6 OUTLIER -66.56 -30.71 71.08 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.366 179.409 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -69.37 -31.3 69.63 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.693 179.706 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -77.32 -31.85 54.88 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.845 179.879 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.328 -0.357 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.253 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 7.4 p . . . . . 0 N--CA 1.455 -0.221 0 N-CA-C 107.737 -1.208 . . . . 0.0 107.737 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 14.3 t80 -45.56 -27.63 0.8 Allowed 'General case' 0 N--CA 1.449 -0.508 0 CA-C-N 114.152 -1.386 . . . . 0.0 111.541 178.718 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 27.1 tttp -66.23 -39.16 89.35 Favored 'General case' 0 C--N 1.316 -0.887 0 CA-C-N 115.289 -0.868 . . . . 0.0 110.092 179.409 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.66 -33.44 72.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.021 179.192 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.52 HD13 ' O ' ' A' ' 8' ' ' LEU . 0.2 OUTLIER -62.29 -41.93 98.91 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.257 179.5 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -66.57 -30.97 71.39 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.071 179.262 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 5.9 tttt -69.89 -33.63 72.46 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.948 -0.569 . . . . 0.0 109.987 179.236 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 1.1 mp -66.66 -33.02 74.72 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.177 179.391 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 3.2 t80 -67.65 -33.77 75.62 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.218 179.402 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 58.7 m -66.46 -32.9 74.55 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.153 179.33 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.99 -32.99 74.79 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.196 179.366 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 8.0 mm -66.53 -31.75 54.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.481 179.46 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 23.1 m95 -68.67 -31.76 71.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.359 179.422 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 22.1 m-20 -71.8 -30.32 65.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.641 179.648 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -81.83 -32.69 31.09 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.838 179.87 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 6.3 mtpm? . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.906 179.974 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 22.0 t . . . . . 0 N--CA 1.456 -0.149 0 N-CA-C 107.671 -1.233 . . . . 0.0 107.671 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 10.7 t80 -44.81 -28.4 0.64 Allowed 'General case' 0 N--CA 1.448 -0.529 0 CA-C-N 114.107 -1.406 . . . . 0.0 111.418 178.557 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 6.9 ttmm -64.38 -42.07 96.35 Favored 'General case' 0 C--N 1.317 -0.837 0 CA-C-N 115.173 -0.922 . . . . 0.0 110.222 179.473 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.62 -38.46 87.74 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.157 179.25 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.5 mt -63.25 -33.6 75.84 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.101 179.412 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -65.47 -33.14 75.24 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.085 179.237 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -67.41 -46.69 72.44 Favored 'General case' 0 N--CA 1.454 -0.24 0 CA-C-N 116.008 -0.542 . . . . 0.0 109.984 179.185 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -65.0 -31.47 72.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.471 . . . . 0.0 109.838 179.063 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -68.37 -31.88 71.57 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.065 -0.516 . . . . 0.0 109.834 179.062 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 15.0 p -64.5 -33.24 75.44 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.136 179.274 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 46.5 tttt -64.41 -32.29 73.85 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.314 179.499 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 37.2 mt -66.24 -33.99 67.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.501 179.517 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 0.4 OUTLIER -67.05 -32.09 73.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.315 179.506 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -70.68 -29.81 66.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.503 179.613 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -77.03 -30.88 55.96 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.809 179.846 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 3.3 ttpp . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.858 -179.942 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 44.7 t . . . . . 0 N--CA 1.455 -0.211 0 N-CA-C 107.881 -1.155 . . . . 0.0 107.881 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 55.8 t80 -44.51 -28.2 0.55 Allowed 'General case' 0 N--CA 1.45 -0.463 0 CA-C-N 114.103 -1.408 . . . . 0.0 111.773 178.89 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 3.8 tmtm? -67.16 -41.0 86.74 Favored 'General case' 0 C--N 1.315 -0.929 0 CA-C-N 115.331 -0.85 . . . . 0.0 110.152 179.459 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 1.6 mmm180 -61.8 -33.12 73.55 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.024 179.148 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.8 tp -64.4 -39.22 93.43 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.283 179.511 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -66.0 -30.44 70.99 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.154 179.285 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 24.3 tttt -69.45 -39.43 77.76 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.086 179.349 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 1.7 mp -66.57 -36.18 82.02 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.131 179.342 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -68.62 -29.8 68.38 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.081 -0.509 . . . . 0.0 109.991 179.191 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -68.61 -32.89 73.09 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.183 179.306 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 6.5 tttt -68.26 -41.61 80.82 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.206 179.397 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 39.9 mt -67.55 -30.53 49.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.135 179.149 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -70.17 -30.31 67.42 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.144 179.206 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 -70.64 -31.61 68.62 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.602 179.656 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 7.4 t90 -85.01 -30.47 24.15 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.907 179.816 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 20.1 mttt . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.897 179.931 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 20.0 t . . . . . 0 N--CA 1.455 -0.213 0 N-CA-C 107.802 -1.184 . . . . 0.0 107.802 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 5' ' ' PHE . . . . . 0.404 ' HA ' HD12 ' A' ' 8' ' ' LEU . 42.0 t80 -44.32 -28.47 0.54 Allowed 'General case' 0 N--CA 1.449 -0.486 0 CA-C-N 114.001 -1.454 . . . . 0.0 111.588 178.705 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -65.53 -42.6 91.79 Favored 'General case' 0 C--N 1.315 -0.892 0 CA-C-N 115.267 -0.879 . . . . 0.0 110.204 179.508 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 6.4 mtp180 -61.17 -34.55 75.21 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.105 179.199 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.404 HD12 ' HA ' ' A' ' 5' ' ' PHE . 0.8 OUTLIER -64.07 -39.48 94.16 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.125 179.45 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -67.14 -30.31 70.26 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.041 179.203 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 10.8 mttp -70.0 -38.06 75.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.059 179.277 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -67.04 -34.87 78.64 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.133 179.408 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -69.05 -32.38 71.82 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.068 179.21 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -67.47 -32.15 72.78 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.046 179.251 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.34 -34.18 77.4 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.275 179.433 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 35.0 mt -66.68 -32.34 57.6 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.404 179.469 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 2.3 t-105 -68.37 -31.32 70.62 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.042 -0.527 . . . . 0.0 110.308 179.434 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 3.2 t-20 -70.75 -31.06 67.75 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.584 179.694 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -77.28 -30.67 54.36 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.802 179.861 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 24.9 tttt . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.925 179.947 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 40.5 t . . . . . 0 N--CA 1.454 -0.229 0 N-CA-C 107.832 -1.173 . . . . 0.0 107.832 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 24.9 t80 -43.61 -28.66 0.41 Allowed 'General case' 0 N--CA 1.45 -0.468 0 CA-C-N 114.144 -1.389 . . . . 0.0 111.808 178.981 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 6' ' ' LYS . . . . . 0.413 ' O ' ' CG ' ' A' ' 9' ' ' GLU . 0.0 OUTLIER -67.33 -42.32 83.78 Favored 'General case' 0 C--N 1.315 -0.916 0 CA-C-N 115.332 -0.849 . . . . 0.0 110.247 179.582 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.46 -29.04 70.38 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.234 -0.439 . . . . 0.0 109.932 179.06 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -66.21 -41.16 90.52 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.505 179.657 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 9' ' ' GLU . . . . . 0.413 ' CG ' ' O ' ' A' ' 6' ' ' LYS . 0.1 OUTLIER -65.97 -27.74 68.38 Favored 'General case' 0 C--N 1.332 -0.186 0 C-N-CA 120.776 -0.369 . . . . 0.0 110.167 179.492 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.409 ' N ' ' HG3' ' A' ' 9' ' ' GLU . 0.0 OUTLIER -70.25 -41.02 74.08 Favored 'General case' 0 N--CA 1.454 -0.231 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.054 179.095 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 74.8 mt -63.09 -31.37 72.5 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.093 179.217 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 71.2 t80 -66.14 -33.28 75.41 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.202 179.398 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 12.9 t -65.27 -35.1 79.98 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.3 179.448 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 22.9 mtpt -65.69 -31.88 73.14 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.378 179.432 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 36.1 mt -67.95 -33.81 63.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.526 179.436 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' TRP . . . . . 0.402 ' CE3' ' HA ' ' A' ' 16' ' ' TRP . 0.0 OUTLIER -68.93 -32.36 71.92 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.303 179.501 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 1.1 t30 -72.16 -28.84 63.49 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.449 179.507 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -78.45 -30.47 47.51 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.754 179.833 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.241 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.895 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' ALA . . . . . 0.565 ' HB3' ' HE2' ' A' ' 3' ' ' LYS . . . . . . . . 0 N--CA 1.486 1.342 0 CA-C-O 120.797 0.332 . . . . 0.0 110.989 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.81 53.52 0.92 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.904 179.911 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.565 ' HE2' ' HB3' ' A' ' 1' ' ' ALA . 0.0 OUTLIER -97.96 38.33 1.32 Allowed 'General case' 0 CA--C 1.514 -0.418 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.187 -179.943 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 46.3 t -63.35 -16.21 17.53 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 N-CA-C 107.776 -1.194 . . . . 0.0 107.776 176.49 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 54.3 t80 -43.26 -29.05 0.36 Allowed 'General case' 0 N--CA 1.45 -0.426 0 CA-C-N 114.095 -1.411 . . . . 0.0 111.666 178.792 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.08 -44.6 83.96 Favored 'General case' 0 C--N 1.315 -0.928 0 CA-C-N 115.33 -0.85 . . . . 0.0 110.228 179.551 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 2.7 mpp_? -62.05 -32.0 72.47 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.186 -0.461 . . . . 0.0 109.926 179.092 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 4.1 tp -64.58 -33.12 75.18 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.194 179.375 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 11.8 mt-10 -65.3 -34.36 78.15 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.361 179.519 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 15.4 tttt -67.99 -43.18 79.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.243 -0.435 . . . . 0.0 109.925 179.256 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 6.3 mt -63.57 -30.21 71.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.057 -0.519 . . . . 0.0 109.914 179.04 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 1.6 t80 -66.15 -33.16 75.14 Favored 'General case' 0 N--CA 1.455 -0.215 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.094 179.241 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 14.7 t -64.26 -37.23 86.76 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.294 179.517 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.15 -32.59 74.21 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.154 179.464 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 37.0 mt -65.88 -31.53 54.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.305 179.306 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 2.9 m0 -66.94 -31.46 72.06 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.418 179.523 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -70.68 -32.36 69.58 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.706 179.762 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' TRP . . . . . 0.4 ' CE3' ' HA ' ' A' ' 18' ' ' TRP . 0.0 OUTLIER -85.05 -29.88 24.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.822 179.92 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.54 148.97 26.73 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.871 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.341 0 CA-C-N 116.291 -0.413 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.366 0 CA-C-O 120.812 0.339 . . . . 0.0 110.984 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -99.73 47.09 0.95 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.893 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -143.04 37.49 1.41 Allowed 'General case' 0 CA--C 1.513 -0.449 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.113 179.906 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 40.1 t -66.41 -12.37 14.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 N-CA-C 107.863 -1.162 . . . . 0.0 107.863 176.406 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 13.2 t80 -45.23 -27.7 0.67 Allowed 'General case' 0 N--CA 1.449 -0.496 0 CA-C-N 114.157 -1.383 . . . . 0.0 111.693 179.025 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.31 -39.63 85.93 Favored 'General case' 0 C--N 1.315 -0.903 0 CA-C-N 115.362 -0.835 . . . . 0.0 110.16 179.452 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 2.2 mtp-105 -61.6 -32.65 72.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.014 179.148 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.96 -41.62 99.58 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.284 179.453 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -64.05 -31.38 72.55 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.064 179.352 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -67.4 -39.21 85.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.084 179.339 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -64.96 -37.88 89.11 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.218 179.34 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -66.8 -30.5 70.71 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.051 179.204 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 3.7 m -67.53 -33.22 74.62 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.169 179.274 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -66.07 -32.35 73.77 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.266 179.46 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 44.5 mt -67.49 -35.67 74.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.491 179.485 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 18.0 m95 -67.23 -29.27 68.86 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.299 179.34 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 3.1 t30 -71.3 -31.56 67.58 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.58 179.666 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -84.98 -30.69 24.03 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.815 179.824 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.33 147.77 49.24 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.921 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.37 0 CA-C-N 116.343 -0.389 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.369 0 CA-C-O 120.778 0.323 . . . . 0.0 111.024 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -93.94 47.05 1.19 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.019 0.438 . . . . 0.0 110.789 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -151.32 38.7 0.64 Allowed 'General case' 0 CA--C 1.514 -0.421 0 CA-C-N 116.044 -0.525 . . . . 0.0 111.138 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 42.4 t -63.52 -15.68 16.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 N-CA-C 107.794 -1.187 . . . . 0.0 107.794 176.409 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 55.6 t80 -44.86 -28.42 0.65 Allowed 'General case' 0 N--CA 1.449 -0.51 0 CA-C-N 114.127 -1.397 . . . . 0.0 111.6 178.76 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.95 -40.47 91.36 Favored 'General case' 0 C--N 1.315 -0.902 0 CA-C-N 115.234 -0.893 . . . . 0.0 110.188 179.501 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 1.5 mmm180 -61.68 -34.56 75.96 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.095 179.2 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -63.38 -36.03 82.37 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.288 179.515 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 30.5 mt-10 -67.01 -33.27 75.19 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.169 179.384 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -67.81 -39.29 83.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.048 -0.524 . . . . 0.0 109.838 179.127 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -62.22 -30.86 71.39 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.022 -0.536 . . . . 0.0 109.921 179.044 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -63.67 -33.16 75.02 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.056 179.25 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -61.78 -36.99 82.69 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.292 179.423 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 13.9 tttt -61.62 -32.01 72.13 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.163 179.299 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 36.4 mt -63.58 -31.51 53.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.198 179.243 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -63.85 -33.14 75.03 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.388 179.46 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 2.4 m120 -66.76 -35.46 80.15 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.689 179.784 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -85.04 -36.3 21.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.822 179.939 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 6.2 tttm -76.71 113.22 14.11 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.839 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.303 -0.408 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.314 0 CA-C-O 120.769 0.319 . . . . 0.0 111.064 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -93.58 47.55 1.24 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.889 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 5.9 pttm -98.1 39.74 1.21 Allowed 'General case' 0 CA--C 1.514 -0.404 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.201 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 39.7 t -61.97 -16.59 15.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 N-CA-C 107.777 -1.194 . . . . 0.0 107.777 176.369 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 28.0 t80 -45.35 -28.09 0.79 Allowed 'General case' 0 N--CA 1.448 -0.554 0 CA-C-N 114.104 -1.407 . . . . 0.0 111.425 178.51 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.96 -39.31 93.29 Favored 'General case' 0 C--N 1.316 -0.868 0 CA-C-N 115.184 -0.916 . . . . 0.0 110.158 179.441 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -60.75 -35.17 75.73 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.124 179.235 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.452 HD12 ' HA ' ' A' ' 8' ' ' LEU . 11.2 tp -62.5 -40.94 98.34 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.305 179.519 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -64.16 -31.65 72.93 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.101 179.232 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.1 -40.22 86.87 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.049 179.32 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 80.6 mt -64.79 -36.82 85.55 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.243 179.368 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -67.81 -32.6 73.25 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.138 -0.483 . . . . 0.0 109.967 179.287 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 1.2 t -66.95 -31.3 71.78 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.066 179.222 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.42 -34.24 77.5 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.353 179.445 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 34.1 mt -67.36 -34.79 71.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.537 179.533 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 13.9 t90 -69.14 -31.48 70.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.28 179.391 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 52.8 t-20 -72.16 -29.73 64.31 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.51 179.487 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 0.8 OUTLIER -78.4 -30.16 47.63 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.826 179.775 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 1.5 ttpm? -73.95 -41.08 62.52 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.874 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.357 -0.383 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.374 0 CA-C-O 120.797 0.332 . . . . 0.0 111.037 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 5.8 pttp -99.99 47.69 0.94 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.948 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -144.24 37.34 1.25 Allowed 'General case' 0 CA--C 1.514 -0.407 0 CA-C-O 121.056 0.455 . . . . 0.0 111.212 179.922 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 7.3 p -64.66 -15.46 17.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 N-CA-C 107.711 -1.218 . . . . 0.0 107.711 176.524 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' PHE . . . . . 0.412 ' HA ' HD12 ' A' ' 8' ' ' LEU . 51.2 t80 -43.31 -29.26 0.4 Allowed 'General case' 0 N--CA 1.45 -0.449 0 CA-C-N 114.111 -1.404 . . . . 0.0 111.758 178.912 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -66.41 -44.37 83.18 Favored 'General case' 0 C--N 1.315 -0.931 0 CA-C-N 115.275 -0.875 . . . . 0.0 110.239 179.621 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 3.4 mpt_? -62.99 -34.24 77.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.127 -0.488 . . . . 0.0 109.967 179.159 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.412 HD12 ' HA ' ' A' ' 5' ' ' PHE . 9.8 mt -65.07 -36.01 82.96 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.158 179.447 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -69.14 -31.95 70.98 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.071 179.273 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.13 -35.93 74.43 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.059 179.293 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -68.38 -35.38 77.62 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.146 179.386 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -69.23 -32.13 71.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 0.0 109.996 179.285 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -68.7 -31.24 70.19 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.1 179.198 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -67.64 -32.81 73.77 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.184 179.376 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 37.5 mt -67.41 -31.25 52.01 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.449 179.453 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -69.62 -33.08 72.14 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.454 179.59 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -73.2 -30.06 63.25 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.589 179.692 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 4.4 m0 -84.96 -30.04 24.6 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.908 179.811 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 74.7 tttt -81.32 130.67 35.13 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.864 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.289 -0.414 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.372 0 CA-C-O 120.817 0.341 . . . . 0.0 111.034 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 21.4 tttm -99.77 47.39 0.95 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.898 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -120.23 37.17 4.32 Favored 'General case' 0 CA--C 1.514 -0.442 0 CA-C-O 121.131 0.491 . . . . 0.0 111.101 179.838 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 45.3 t -66.46 -12.87 15.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 N-CA-C 107.855 -1.165 . . . . 0.0 107.855 176.549 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 59.0 t80 -43.87 -28.5 0.45 Allowed 'General case' 0 N--CA 1.45 -0.449 0 CA-C-N 114.129 -1.396 . . . . 0.0 111.931 179.157 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -68.31 -41.48 80.82 Favored 'General case' 0 C--N 1.315 -0.899 0 CA-C-N 115.42 -0.809 . . . . 0.0 110.076 179.548 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 5.7 mtt180 -62.18 -31.45 71.96 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.077 -0.51 . . . . 0.0 109.991 179.024 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -64.24 -38.47 91.15 Favored 'General case' 0 N--CA 1.455 -0.199 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.239 179.468 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 7.9 mt-10 -67.04 -31.77 72.52 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.173 179.373 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 4.1 mtmt -69.62 -37.08 76.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.047 179.265 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 63.2 mt -67.15 -35.61 80.07 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.283 179.347 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -69.43 -31.63 70.08 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.0 179.266 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 28.6 t -68.78 -31.22 70.1 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.065 179.194 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.26 -33.38 75.21 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.21 179.406 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 35.4 mt -67.28 -32.88 59.46 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.465 179.434 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 0.4 OUTLIER -68.33 -31.63 71.19 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.254 179.409 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 2.7 m-80 -70.37 -30.2 67.05 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.552 179.549 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 18.7 t-105 -79.22 -37.64 37.62 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.797 179.83 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.08 74.99 10.41 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.918 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.367 0 CA-C-N 116.298 -0.41 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.323 0 CA-C-O 120.801 0.334 . . . . 0.0 111.043 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.98 47.12 0.95 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.917 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -147.23 37.29 0.93 Allowed 'General case' 0 CA--C 1.514 -0.408 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.134 179.83 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 38.3 t -66.9 -12.52 15.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 N-CA-C 107.863 -1.162 . . . . 0.0 107.863 176.507 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 29.0 t80 -42.91 -28.99 0.29 Allowed 'General case' 0 N--CA 1.45 -0.453 0 CA-C-N 114.154 -1.385 . . . . 0.0 111.915 179.136 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 15.3 tttp -67.04 -44.82 79.22 Favored 'General case' 0 C--N 1.315 -0.894 0 CA-C-N 115.379 -0.828 . . . . 0.0 110.101 179.429 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.86 -31.05 70.52 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.093 -0.503 . . . . 0.0 109.902 178.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -63.64 -37.51 87.62 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.998 -0.547 . . . . 0.0 110.174 179.424 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -67.13 -32.73 74.05 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.261 179.462 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -69.69 -34.38 73.85 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.071 -0.513 . . . . 0.0 109.943 179.218 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -66.25 -33.27 75.38 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.193 179.313 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -67.26 -35.19 79.0 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.236 179.431 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 22.9 p -66.34 -31.03 71.56 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.097 179.286 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 10.7 mmtt -67.23 -31.9 72.58 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.311 179.424 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 34.8 mt -67.51 -36.02 75.02 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.524 179.418 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 44.4 t-105 -67.84 -32.04 72.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.184 179.338 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 45.1 m-80 -70.5 -30.31 67.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.421 179.505 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 6.8 m95 -75.48 -30.58 59.94 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.842 179.884 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 10.7 mptt -82.11 91.23 6.64 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.845 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.326 -0.397 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.358 0 CA-C-O 120.825 0.345 . . . . 0.0 111.049 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 6.1 ttmt -95.88 47.83 1.11 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.909 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.88 38.13 2.17 Favored 'General case' 0 CA--C 1.514 -0.428 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.185 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 17.0 t -64.15 -15.56 17.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 N-CA-C 107.807 -1.182 . . . . 0.0 107.807 176.437 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 24.1 t80 -43.39 -28.88 0.38 Allowed 'General case' 0 N--CA 1.45 -0.47 0 CA-C-N 114.095 -1.411 . . . . 0.0 111.689 178.798 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 30.0 tttp -65.5 -44.91 85.59 Favored 'General case' 0 C--N 1.315 -0.897 0 CA-C-N 115.297 -0.865 . . . . 0.0 110.184 179.459 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -60.81 -32.98 72.33 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.178 -0.465 . . . . 0.0 109.865 179.104 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 4.0 tp -62.96 -34.13 76.85 Favored 'General case' 0 N--CA 1.454 -0.229 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.166 179.418 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -65.13 -33.24 75.56 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.328 179.545 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 6.2 ttpp -69.16 -43.39 74.36 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.162 -0.472 . . . . 0.0 109.973 179.338 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -65.88 -31.07 71.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.026 -0.533 . . . . 0.0 109.895 179.117 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 1.3 t80 -68.95 -32.96 72.93 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.093 179.193 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 14.2 t -66.14 -33.64 76.24 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.062 179.27 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 11.1 mttt -64.74 -31.33 72.51 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.119 179.289 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 37.7 mt -65.62 -34.12 68.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.531 179.507 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 0.6 OUTLIER -67.51 -39.12 85.14 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.406 179.549 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 1.4 m-80 -71.72 -27.85 63.29 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.523 179.508 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 2.4 t-105 -85.05 -29.16 25.17 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.863 179.884 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 1.1 mttm -71.51 114.18 9.31 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.851 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.354 0 CA-C-N 116.362 -0.381 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.318 0 CA-C-O 120.817 0.341 . . . . 0.0 111.067 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -100.11 54.5 0.91 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.662 179.92 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.35 38.48 3.05 Favored 'General case' 0 CA--C 1.515 -0.388 0 CA-C-N 116.013 -0.54 . . . . 0.0 111.116 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 16.1 t -64.01 -15.0 16.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 N-CA-C 107.752 -1.203 . . . . 0.0 107.752 176.349 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 31.6 t80 -44.75 -28.49 0.63 Allowed 'General case' 0 N--CA 1.449 -0.49 0 CA-C-N 114.183 -1.371 . . . . 0.0 111.452 178.707 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -64.62 -41.03 96.46 Favored 'General case' 0 C--N 1.316 -0.864 0 CA-C-N 115.229 -0.896 . . . . 0.0 110.078 179.374 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 8.7 mtt180 -59.39 -32.95 70.63 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.155 -0.475 . . . . 0.0 109.991 179.033 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -61.29 -36.07 79.05 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.383 179.504 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -64.46 -35.51 81.16 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.328 179.604 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 3.0 tptt -66.56 -39.14 88.37 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.178 -0.464 . . . . 0.0 109.946 179.269 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -62.77 -30.61 71.58 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.967 -0.56 . . . . 0.0 109.999 179.135 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 39.5 t80 -64.42 -36.8 85.32 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.287 179.376 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 51.5 p -62.92 -33.96 76.44 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.201 179.439 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -64.92 -30.37 71.36 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.236 179.345 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 35.8 mt -66.42 -34.32 69.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.541 179.506 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 1.0 OUTLIER -67.8 -30.43 69.86 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.523 179.53 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 83.5 m-20 -73.81 -26.76 60.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.656 179.569 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 6.9 t90 -82.69 -33.26 27.72 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.913 179.9 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.99 -32.61 22.87 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.882 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.372 0 CA-C-N 116.327 -0.397 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.347 0 CA-C-O 120.789 0.328 . . . . 0.0 111.056 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.03 53.55 0.91 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.878 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.28 37.9 1.4 Allowed 'General case' 0 CA--C 1.515 -0.4 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.131 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 7.2 p -65.14 -14.29 16.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 N-CA-C 107.798 -1.186 . . . . 0.0 107.798 176.416 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 12.2 t80 -44.86 -28.04 0.6 Allowed 'General case' 0 N--CA 1.449 -0.502 0 CA-C-N 114.141 -1.391 . . . . 0.0 111.703 178.928 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 2.9 tmtt? -66.98 -40.73 87.48 Favored 'General case' 0 C--N 1.316 -0.885 0 CA-C-N 115.274 -0.875 . . . . 0.0 110.134 179.502 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -61.78 -32.77 73.07 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.067 -0.515 . . . . 0.0 109.989 179.162 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.3 mt -63.63 -39.19 93.72 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.249 179.499 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -66.28 -31.42 72.21 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.237 179.448 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -69.98 -36.23 75.04 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.125 179.346 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -67.47 -34.84 78.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.187 179.279 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -67.72 -33.18 74.38 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.113 -0.494 . . . . 0.0 109.963 179.201 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 6.1 t -65.42 -31.91 73.26 Favored 'General case' 0 N--CA 1.453 -0.282 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.072 179.147 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.98 -34.37 77.83 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.275 179.364 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 8.8 mm -63.63 -33.68 63.14 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.423 179.387 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' TRP . . . . . 0.412 ' CD1' ' HE2' ' A' ' 19' ' ' LYS . 0.6 OUTLIER -67.35 -25.46 66.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.467 179.375 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 2.6 t30 -75.2 -26.3 58.87 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.667 179.606 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' TRP . . . . . 0.421 ' HA ' ' CE3' ' A' ' 18' ' ' TRP . 0.0 OUTLIER -81.74 -31.99 31.74 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.102 -179.919 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.412 ' HE2' ' CD1' ' A' ' 16' ' ' TRP . 0.0 OUTLIER -58.75 -28.99 66.4 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.901 0.381 . . . . 0.0 111.126 -179.818 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.474 -0.33 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.373 0 CA-C-O 120.78 0.324 . . . . 0.0 111.036 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -93.97 47.73 1.23 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.895 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 42.2 pttt -140.86 38.2 1.8 Allowed 'General case' 0 CA--C 1.514 -0.43 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.019 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 7.3 p -64.94 -13.71 15.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 N-CA-C 107.834 -1.173 . . . . 0.0 107.834 176.508 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 13.0 t80 -44.71 -28.07 0.57 Allowed 'General case' 0 N--CA 1.449 -0.487 0 CA-C-N 114.184 -1.371 . . . . 0.0 111.88 179.055 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 1.9 ttpp -68.11 -39.63 82.76 Favored 'General case' 0 C--N 1.315 -0.924 0 CA-C-N 115.425 -0.807 . . . . 0.0 110.032 179.506 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.71 -31.98 72.17 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.025 179.108 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.1 tt -63.37 -41.73 98.83 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.229 179.376 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 24.1 mt-10 -68.07 -31.4 71.01 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.248 -0.433 . . . . 0.0 109.895 179.188 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 1.7 tttp -69.6 -31.09 69.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.976 -0.556 . . . . 0.0 109.844 179.006 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 6.3 tp -65.53 -34.21 77.72 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.101 179.238 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 89.0 t80 -63.88 -34.49 78.06 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.263 179.442 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -65.1 -35.55 81.5 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.337 179.52 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 40.3 mttp -65.84 -36.14 82.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.177 179.434 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 53.8 mt -65.66 -29.49 47.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.209 179.157 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 2.5 t-105 -67.66 -35.26 78.54 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.424 179.494 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 6.1 m-80 -69.31 -31.25 69.6 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.736 179.803 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 0.4 OUTLIER -82.91 -31.8 27.61 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.779 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.08 113.92 6.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.851 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.326 -0.397 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.372 0 CA-C-O 120.822 0.344 . . . . 0.0 111.019 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 4.3 tttp -100.01 54.2 0.91 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.747 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 7.1 tptp -95.4 38.61 1.14 Allowed 'General case' 0 CA--C 1.515 -0.366 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.316 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 7.1 p -65.52 -14.13 16.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 N-CA-C 107.825 -1.176 . . . . 0.0 107.825 176.464 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 52.5 t80 -40.64 -30.96 0.13 Allowed 'General case' 0 N--CA 1.45 -0.429 0 CA-C-N 114.163 -1.381 . . . . 0.0 111.798 178.92 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -65.09 -49.56 69.54 Favored 'General case' 0 C--N 1.315 -0.919 0 CA-C-N 115.209 -0.905 . . . . 0.0 110.122 179.422 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 9.2 mtm180 -62.15 -33.61 74.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.141 -0.481 . . . . 0.0 109.867 178.96 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.9 mp -65.98 -35.52 80.81 Favored 'General case' 0 N--CA 1.454 -0.261 0 CA-C-N 115.868 -0.606 . . . . 0.0 110.098 179.286 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 19.2 mm-40 -68.25 -31.92 71.74 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.102 179.275 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 6.5 mtmp? -70.06 -38.59 75.83 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.003 179.237 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 7.6 tt -66.5 -32.85 74.47 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.163 179.303 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -68.38 -34.26 75.73 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.111 179.289 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 59.0 m -66.19 -32.4 73.81 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.037 179.223 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 3.2 mttm -65.5 -32.19 73.66 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.229 179.328 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 44.2 mt -65.95 -33.17 61.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.415 179.426 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 0.9 OUTLIER -66.64 -32.7 74.19 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.306 179.471 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 29.4 m120 -68.96 -30.19 68.58 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.518 179.558 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 6.7 m95 -76.13 -37.29 58.22 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.766 179.814 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -85.05 -65.19 1.04 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.924 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.35 0 CA-C-N 116.33 -0.395 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.34 0 CA-C-O 120.842 0.353 . . . . 0.0 110.998 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.96 47.81 1.11 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.945 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 8.1 pttt -108.3 37.95 2.35 Favored 'General case' 0 CA--C 1.514 -0.413 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.156 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 7.4 p -65.38 -13.93 16.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 N-CA-C 107.83 -1.174 . . . . 0.0 107.83 176.496 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' PHE . . . . . 0.753 ' HA ' HD12 ' A' ' 8' ' ' LEU . 36.2 t80 -43.0 -29.19 0.32 Allowed 'General case' 0 N--CA 1.451 -0.412 0 CA-C-N 114.128 -1.397 . . . . 0.0 111.77 178.963 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 6.9 ttpp -66.27 -44.25 84.13 Favored 'General case' 0 C--N 1.315 -0.921 0 CA-C-N 115.356 -0.838 . . . . 0.0 110.19 179.502 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.71 -33.95 74.92 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.146 -0.479 . . . . 0.0 109.9 179.087 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.753 HD12 ' HA ' ' A' ' 5' ' ' PHE . 3.8 mt -63.77 -38.81 92.48 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.157 179.435 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -68.76 -31.36 70.33 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.17 -0.468 . . . . 0.0 109.998 179.171 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 1.2 mmtp -70.05 -33.87 72.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.002 -0.544 . . . . 0.0 109.926 179.195 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 7.6 tt -67.07 -35.93 80.91 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.273 179.414 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -68.02 -36.48 80.02 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.075 179.309 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 60.2 p -66.81 -30.41 70.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.068 -0.515 . . . . 0.0 109.97 179.159 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 28.8 ttmt -66.85 -33.25 75.2 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.157 179.361 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 8.0 mm -66.02 -33.71 65.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.52 179.49 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -68.22 -30.31 69.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.387 179.457 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 17.7 t30 -72.49 -31.1 65.1 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.659 179.666 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 46.4 t90 -80.64 -30.07 36.67 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.927 179.85 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 21.7 ttpt -67.5 92.11 0.3 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.919 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.326 -0.397 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.365 0 CA-C-O 120.869 0.366 . . . . 0.0 111.034 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -94.86 47.0 1.14 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.938 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -169.95 36.99 0.02 OUTLIER 'General case' 0 CA--C 1.514 -0.441 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.99 179.924 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 32.8 t -65.46 -13.69 15.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 N-CA-C 107.97 -1.122 . . . . 0.0 107.97 176.556 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 13.8 t80 -42.79 -29.98 0.35 Allowed 'General case' 0 N--CA 1.451 -0.416 0 CA-C-N 114.107 -1.406 . . . . 0.0 111.962 179.205 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.11 -44.91 71.48 Favored 'General case' 0 C--N 1.313 -1.003 0 CA-C-N 115.461 -0.791 . . . . 0.0 109.836 179.367 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 7.5 mtp180 -60.35 -29.54 68.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.96 -0.564 . . . . 0.0 109.786 178.721 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.97 -36.45 83.53 Favored 'General case' 0 N--CA 1.455 -0.212 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.208 179.35 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 10.8 mt-10 -66.17 -36.79 84.02 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.31 179.43 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 7.2 mmtt -67.2 -32.2 73.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.158 -0.474 . . . . 0.0 109.873 179.197 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -65.23 -32.39 74.03 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.089 179.219 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 31.3 t80 -64.69 -33.83 76.87 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.326 179.445 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 31.1 t -65.24 -35.38 80.88 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.297 179.502 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 1.5 mmtt -65.38 -34.85 79.27 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.229 179.463 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 7.9 mm -66.43 -31.61 54.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.481 179.439 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 11.7 t-105 -69.22 -32.36 71.57 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.323 179.491 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 1.5 m120 -72.0 -29.48 64.26 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.597 179.61 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 79.1 t90 -80.19 -30.47 38.75 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.805 179.833 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.01 83.34 4.32 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.858 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.361 0 CA-C-N 116.337 -0.392 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.487 1.383 0 CA-C-O 120.811 0.338 . . . . 0.0 111.035 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 1.6 tttt -94.15 46.8 1.18 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.884 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 11.3 tttt -140.54 38.61 1.86 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.239 179.906 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 7.5 p -64.61 -15.13 17.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 N-CA-C 107.774 -1.195 . . . . 0.0 107.774 176.477 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 57.8 t80 -42.21 -30.05 0.28 Allowed 'General case' 0 N--CA 1.45 -0.458 0 CA-C-N 114.071 -1.422 . . . . 0.0 111.713 178.925 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 2.9 tttm -65.48 -46.13 80.98 Favored 'General case' 0 C--N 1.314 -0.938 0 CA-C-N 115.299 -0.864 . . . . 0.0 110.079 179.506 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 8.9 mtp180 -61.38 -33.11 73.12 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.056 179.156 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -66.27 -36.21 82.41 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.965 -0.562 . . . . 0.0 110.127 179.519 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -68.41 -30.5 69.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.074 179.28 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -69.98 -39.68 75.81 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.087 -0.506 . . . . 0.0 109.964 179.188 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 94.7 mt -65.08 -34.57 78.72 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.159 179.28 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 1.6 t80 -67.22 -31.55 72.0 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.197 -0.456 . . . . 0.0 109.951 179.091 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -65.66 -32.06 73.41 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.122 179.294 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 13.7 mttp -65.01 -36.72 85.31 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.3 179.381 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 47.4 mt -64.38 -30.8 51.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.278 179.187 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 0.6 OUTLIER -66.56 -30.71 71.08 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.366 179.409 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -69.37 -31.3 69.63 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.693 179.706 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -77.32 -31.85 54.88 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.845 179.879 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -76.7 -18.06 58.74 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.253 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.257 0 CA-C-N 116.613 -0.267 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.334 0 CA-C-O 120.824 0.345 . . . . 0.0 111.025 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 3.5 pttp -99.95 53.59 0.91 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.88 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -97.82 38.89 1.25 Allowed 'General case' 0 CA--C 1.514 -0.422 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.179 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 7.4 p -63.83 -15.09 16.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 N-CA-C 107.737 -1.208 . . . . 0.0 107.737 176.398 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 14.3 t80 -45.56 -27.63 0.8 Allowed 'General case' 0 N--CA 1.449 -0.508 0 CA-C-N 114.152 -1.386 . . . . 0.0 111.541 178.718 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 27.1 tttp -66.23 -39.16 89.35 Favored 'General case' 0 C--N 1.316 -0.887 0 CA-C-N 115.289 -0.868 . . . . 0.0 110.092 179.409 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.66 -33.44 72.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.021 179.192 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.52 HD13 ' O ' ' A' ' 8' ' ' LEU . 0.2 OUTLIER -62.29 -41.93 98.91 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.257 179.5 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -66.57 -30.97 71.39 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.071 179.262 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 5.9 tttt -69.89 -33.63 72.46 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.948 -0.569 . . . . 0.0 109.987 179.236 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 1.1 mp -66.66 -33.02 74.72 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.177 179.391 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 3.2 t80 -67.65 -33.77 75.62 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.218 179.402 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 58.7 m -66.46 -32.9 74.55 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.153 179.33 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.99 -32.99 74.79 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.196 179.366 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 8.0 mm -66.53 -31.75 54.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.481 179.46 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 23.1 m95 -68.67 -31.76 71.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.359 179.422 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 22.1 m-20 -71.8 -30.32 65.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.641 179.648 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -81.83 -32.69 31.09 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.838 179.87 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 6.3 mtpm? -85.03 160.59 19.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.906 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.349 0 CA-C-N 116.38 -0.373 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.344 0 CA-C-O 120.895 0.379 . . . . 0.0 111.004 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.03 48.15 0.93 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.909 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 15.8 tttt -169.73 38.28 0.02 OUTLIER 'General case' 0 CA--C 1.515 -0.391 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.178 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 22.0 t -63.22 -16.27 17.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 N-CA-C 107.671 -1.233 . . . . 0.0 107.671 176.416 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 10.7 t80 -44.81 -28.4 0.64 Allowed 'General case' 0 N--CA 1.448 -0.529 0 CA-C-N 114.107 -1.406 . . . . 0.0 111.418 178.557 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 6.9 ttmm -64.38 -42.07 96.35 Favored 'General case' 0 C--N 1.317 -0.837 0 CA-C-N 115.173 -0.922 . . . . 0.0 110.222 179.473 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.62 -38.46 87.74 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.157 179.25 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.5 mt -63.25 -33.6 75.84 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.101 179.412 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -65.47 -33.14 75.24 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.085 179.237 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -67.41 -46.69 72.44 Favored 'General case' 0 N--CA 1.454 -0.24 0 CA-C-N 116.008 -0.542 . . . . 0.0 109.984 179.185 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -65.0 -31.47 72.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.471 . . . . 0.0 109.838 179.063 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -68.37 -31.88 71.57 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.065 -0.516 . . . . 0.0 109.834 179.062 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 15.0 p -64.5 -33.24 75.44 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.136 179.274 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 46.5 tttt -64.41 -32.29 73.85 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.314 179.499 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 37.2 mt -66.24 -33.99 67.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.501 179.517 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 0.4 OUTLIER -67.05 -32.09 73.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.315 179.506 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -70.68 -29.81 66.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.503 179.613 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -77.03 -30.88 55.96 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.809 179.846 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 3.3 ttpp -76.91 136.47 38.82 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.858 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.332 -0.395 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.373 0 CA-C-O 120.918 0.39 . . . . 0.0 111.018 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 4.5 ptmt -94.39 51.13 1.42 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.839 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 16.0 pttt 46.15 37.47 3.95 Favored 'General case' 0 CA--C 1.516 -0.365 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.524 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 44.7 t -65.21 -14.16 16.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 N-CA-C 107.881 -1.155 . . . . 0.0 107.881 176.528 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 55.8 t80 -44.51 -28.2 0.55 Allowed 'General case' 0 N--CA 1.45 -0.463 0 CA-C-N 114.103 -1.408 . . . . 0.0 111.773 178.89 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 3.8 tmtm? -67.16 -41.0 86.74 Favored 'General case' 0 C--N 1.315 -0.929 0 CA-C-N 115.331 -0.85 . . . . 0.0 110.152 179.459 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 1.6 mmm180 -61.8 -33.12 73.55 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.024 179.148 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.8 tp -64.4 -39.22 93.43 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.283 179.511 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -66.0 -30.44 70.99 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.154 179.285 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 24.3 tttt -69.45 -39.43 77.76 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.086 179.349 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 1.7 mp -66.57 -36.18 82.02 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.131 179.342 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -68.62 -29.8 68.38 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.081 -0.509 . . . . 0.0 109.991 179.191 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -68.61 -32.89 73.09 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.183 179.306 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 6.5 tttt -68.26 -41.61 80.82 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.206 179.397 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 39.9 mt -67.55 -30.53 49.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.135 179.149 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -70.17 -30.31 67.42 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.144 179.206 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 -70.64 -31.61 68.62 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.602 179.656 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 7.4 t90 -85.01 -30.47 24.15 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.907 179.816 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 20.1 mttt -59.77 -39.42 84.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.897 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.361 0 CA-C-N 116.308 -0.406 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.34 0 CA-C-O 120.842 0.353 . . . . 0.0 111.042 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -94.33 47.15 1.18 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.758 179.939 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 48.4 tttp -146.37 38.68 1.06 Allowed 'General case' 0 CA--C 1.514 -0.418 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.212 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 20.0 t -62.88 -16.54 17.49 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 N-CA-C 107.802 -1.184 . . . . 0.0 107.802 176.427 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' PHE . . . . . 0.404 ' HA ' HD12 ' A' ' 8' ' ' LEU . 42.0 t80 -44.32 -28.47 0.54 Allowed 'General case' 0 N--CA 1.449 -0.486 0 CA-C-N 114.001 -1.454 . . . . 0.0 111.588 178.705 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -65.53 -42.6 91.79 Favored 'General case' 0 C--N 1.315 -0.892 0 CA-C-N 115.267 -0.879 . . . . 0.0 110.204 179.508 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 6.4 mtp180 -61.17 -34.55 75.21 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.105 179.199 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.404 HD12 ' HA ' ' A' ' 5' ' ' PHE . 0.8 OUTLIER -64.07 -39.48 94.16 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.125 179.45 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -67.14 -30.31 70.26 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.041 179.203 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 10.8 mttp -70.0 -38.06 75.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.059 179.277 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -67.04 -34.87 78.64 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.133 179.408 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -69.05 -32.38 71.82 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.068 179.21 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -67.47 -32.15 72.78 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.046 179.251 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.34 -34.18 77.4 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.275 179.433 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 35.0 mt -66.68 -32.34 57.6 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.404 179.469 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 2.3 t-105 -68.37 -31.32 70.62 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.042 -0.527 . . . . 0.0 110.308 179.434 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 3.2 t-20 -70.75 -31.06 67.75 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.584 179.694 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -77.28 -30.67 54.36 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.802 179.861 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 24.9 tttt -71.36 84.04 0.79 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.925 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.344 0 CA-C-N 116.327 -0.397 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.328 0 CA-C-O 120.844 0.354 . . . . 0.0 111.035 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 9.9 ptmt -100.05 54.01 0.91 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.788 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER 46.37 38.15 4.95 Favored 'General case' 0 CA--C 1.516 -0.362 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.514 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 40.5 t -64.8 -14.33 16.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 N-CA-C 107.832 -1.173 . . . . 0.0 107.832 176.495 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 24.9 t80 -43.61 -28.66 0.41 Allowed 'General case' 0 N--CA 1.45 -0.468 0 CA-C-N 114.144 -1.389 . . . . 0.0 111.808 178.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.413 ' O ' ' CG ' ' A' ' 9' ' ' GLU . 0.0 OUTLIER -67.33 -42.32 83.78 Favored 'General case' 0 C--N 1.315 -0.916 0 CA-C-N 115.332 -0.849 . . . . 0.0 110.247 179.582 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.46 -29.04 70.38 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.234 -0.439 . . . . 0.0 109.932 179.06 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -66.21 -41.16 90.52 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.505 179.657 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.413 ' CG ' ' O ' ' A' ' 6' ' ' LYS . 0.1 OUTLIER -65.97 -27.74 68.38 Favored 'General case' 0 C--N 1.332 -0.186 0 C-N-CA 120.776 -0.369 . . . . 0.0 110.167 179.492 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.409 ' N ' ' HG3' ' A' ' 9' ' ' GLU . 0.0 OUTLIER -70.25 -41.02 74.08 Favored 'General case' 0 N--CA 1.454 -0.231 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.054 179.095 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 74.8 mt -63.09 -31.37 72.5 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.093 179.217 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 71.2 t80 -66.14 -33.28 75.41 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.202 179.398 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 12.9 t -65.27 -35.1 79.98 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.3 179.448 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 22.9 mtpt -65.69 -31.88 73.14 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.378 179.432 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 36.1 mt -67.95 -33.81 63.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.526 179.436 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' TRP . . . . . 0.402 ' CE3' ' HA ' ' A' ' 16' ' ' TRP . 0.0 OUTLIER -68.93 -32.36 71.92 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.303 179.501 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 1.1 t30 -72.16 -28.84 63.49 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.449 179.507 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -78.45 -30.47 47.51 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.754 179.833 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.13 146.32 29.66 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.895 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.332 -0.394 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 46.3 t . . . . . 0 N--CA 1.453 -0.279 0 N-CA-C 107.776 -1.194 . . . . 0.0 107.776 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 54.3 t80 -43.26 -29.05 0.36 Allowed 'General case' 0 N--CA 1.45 -0.426 0 CA-C-N 114.095 -1.411 . . . . 0.0 111.666 178.792 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.08 -44.6 83.96 Favored 'General case' 0 C--N 1.315 -0.928 0 CA-C-N 115.33 -0.85 . . . . 0.0 110.228 179.551 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 2.7 mpp_? -62.05 -32.0 72.47 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.186 -0.461 . . . . 0.0 109.926 179.092 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 4.1 tp -64.58 -33.12 75.18 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.194 179.375 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 11.8 mt-10 -65.3 -34.36 78.15 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.361 179.519 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 15.4 tttt -67.99 -43.18 79.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.243 -0.435 . . . . 0.0 109.925 179.256 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 6.3 mt -63.57 -30.21 71.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.057 -0.519 . . . . 0.0 109.914 179.04 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 1.6 t80 -66.15 -33.16 75.14 Favored 'General case' 0 N--CA 1.455 -0.215 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.094 179.241 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 14.7 t -64.26 -37.23 86.76 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.294 179.517 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.15 -32.59 74.21 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.154 179.464 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 37.0 mt -65.88 -31.53 54.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.305 179.306 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 2.9 m0 -66.94 -31.46 72.06 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.418 179.523 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -70.68 -32.36 69.58 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.706 179.762 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' TRP . . . . . 0.4 ' CE3' ' HA ' ' A' ' 18' ' ' TRP . 0.0 OUTLIER -85.05 -29.88 24.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.822 179.92 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.248 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.871 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 40.1 t . . . . . 0 N--CA 1.454 -0.24 0 N-CA-C 107.863 -1.162 . . . . 0.0 107.863 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 13.2 t80 -45.23 -27.7 0.67 Allowed 'General case' 0 N--CA 1.449 -0.496 0 CA-C-N 114.157 -1.383 . . . . 0.0 111.693 179.025 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.31 -39.63 85.93 Favored 'General case' 0 C--N 1.315 -0.903 0 CA-C-N 115.362 -0.835 . . . . 0.0 110.16 179.452 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 2.2 mtp-105 -61.6 -32.65 72.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.014 179.148 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.96 -41.62 99.58 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.284 179.453 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -64.05 -31.38 72.55 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.064 179.352 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -67.4 -39.21 85.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.084 179.339 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -64.96 -37.88 89.11 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.218 179.34 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -66.8 -30.5 70.71 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.051 179.204 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 3.7 m -67.53 -33.22 74.62 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.169 179.274 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -66.07 -32.35 73.77 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.266 179.46 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 44.5 mt -67.49 -35.67 74.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.491 179.485 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 18.0 m95 -67.23 -29.27 68.86 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.299 179.34 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 3.1 t30 -71.3 -31.56 67.58 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.58 179.666 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -84.98 -30.69 24.03 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.815 179.824 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.33 -0.247 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.921 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 42.4 t . . . . . 0 N--CA 1.455 -0.193 0 N-CA-C 107.794 -1.187 . . . . 0.0 107.794 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 55.6 t80 -44.86 -28.42 0.65 Allowed 'General case' 0 N--CA 1.449 -0.51 0 CA-C-N 114.127 -1.397 . . . . 0.0 111.6 178.76 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.95 -40.47 91.36 Favored 'General case' 0 C--N 1.315 -0.902 0 CA-C-N 115.234 -0.893 . . . . 0.0 110.188 179.501 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 1.5 mmm180 -61.68 -34.56 75.96 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.095 179.2 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -63.38 -36.03 82.37 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.288 179.515 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 30.5 mt-10 -67.01 -33.27 75.19 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.169 179.384 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -67.81 -39.29 83.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.048 -0.524 . . . . 0.0 109.838 179.127 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -62.22 -30.86 71.39 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.022 -0.536 . . . . 0.0 109.921 179.044 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -63.67 -33.16 75.02 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.056 179.25 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -61.78 -36.99 82.69 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.292 179.423 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 13.9 tttt -61.62 -32.01 72.13 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.163 179.299 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 36.4 mt -63.58 -31.51 53.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.198 179.243 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -63.85 -33.14 75.03 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.388 179.46 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 2.4 m120 -66.76 -35.46 80.15 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.689 179.784 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -85.04 -36.3 21.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.822 179.939 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 6.2 tttm . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.839 179.998 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 39.7 t . . . . . 0 N--CA 1.455 -0.189 0 N-CA-C 107.777 -1.194 . . . . 0.0 107.777 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 28.0 t80 -45.35 -28.09 0.79 Allowed 'General case' 0 N--CA 1.448 -0.554 0 CA-C-N 114.104 -1.407 . . . . 0.0 111.425 178.51 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.96 -39.31 93.29 Favored 'General case' 0 C--N 1.316 -0.868 0 CA-C-N 115.184 -0.916 . . . . 0.0 110.158 179.441 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -60.75 -35.17 75.73 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.124 179.235 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.452 HD12 ' HA ' ' A' ' 8' ' ' LEU . 11.2 tp -62.5 -40.94 98.34 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.305 179.519 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -64.16 -31.65 72.93 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.101 179.232 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.1 -40.22 86.87 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.049 179.32 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 80.6 mt -64.79 -36.82 85.55 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.243 179.368 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -67.81 -32.6 73.25 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.138 -0.483 . . . . 0.0 109.967 179.287 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 1.2 t -66.95 -31.3 71.78 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.066 179.222 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.42 -34.24 77.5 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.353 179.445 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 34.1 mt -67.36 -34.79 71.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.537 179.533 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 13.9 t90 -69.14 -31.48 70.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.28 179.391 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 52.8 t-20 -72.16 -29.73 64.31 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.51 179.487 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 0.8 OUTLIER -78.4 -30.16 47.63 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.826 179.775 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 1.5 ttpm? . . . . . 0 C--N 1.33 -0.265 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.874 179.999 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 7.3 p . . . . . 0 N--CA 1.455 -0.209 0 N-CA-C 107.711 -1.218 . . . . 0.0 107.711 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . 0.412 ' HA ' HD12 ' A' ' 8' ' ' LEU . 51.2 t80 -43.31 -29.26 0.4 Allowed 'General case' 0 N--CA 1.45 -0.449 0 CA-C-N 114.111 -1.404 . . . . 0.0 111.758 178.912 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -66.41 -44.37 83.18 Favored 'General case' 0 C--N 1.315 -0.931 0 CA-C-N 115.275 -0.875 . . . . 0.0 110.239 179.621 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 3.4 mpt_? -62.99 -34.24 77.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.127 -0.488 . . . . 0.0 109.967 179.159 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.412 HD12 ' HA ' ' A' ' 5' ' ' PHE . 9.8 mt -65.07 -36.01 82.96 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.158 179.447 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -69.14 -31.95 70.98 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.071 179.273 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.13 -35.93 74.43 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.059 179.293 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -68.38 -35.38 77.62 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.146 179.386 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -69.23 -32.13 71.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 0.0 109.996 179.285 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -68.7 -31.24 70.19 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.1 179.198 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -67.64 -32.81 73.77 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.184 179.376 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 37.5 mt -67.41 -31.25 52.01 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.449 179.453 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -69.62 -33.08 72.14 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.454 179.59 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -73.2 -30.06 63.25 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.589 179.692 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 4.4 m0 -84.96 -30.04 24.6 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.908 179.811 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 74.7 tttt . . . . . 0 C--N 1.33 -0.248 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.864 179.998 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 45.3 t . . . . . 0 N--CA 1.454 -0.23 0 N-CA-C 107.855 -1.165 . . . . 0.0 107.855 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 59.0 t80 -43.87 -28.5 0.45 Allowed 'General case' 0 N--CA 1.45 -0.449 0 CA-C-N 114.129 -1.396 . . . . 0.0 111.931 179.157 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -68.31 -41.48 80.82 Favored 'General case' 0 C--N 1.315 -0.899 0 CA-C-N 115.42 -0.809 . . . . 0.0 110.076 179.548 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 5.7 mtt180 -62.18 -31.45 71.96 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.077 -0.51 . . . . 0.0 109.991 179.024 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -64.24 -38.47 91.15 Favored 'General case' 0 N--CA 1.455 -0.199 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.239 179.468 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 7.9 mt-10 -67.04 -31.77 72.52 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.173 179.373 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 4.1 mtmt -69.62 -37.08 76.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.047 179.265 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 63.2 mt -67.15 -35.61 80.07 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.283 179.347 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -69.43 -31.63 70.08 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.0 179.266 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 28.6 t -68.78 -31.22 70.1 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.065 179.194 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.26 -33.38 75.21 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.21 179.406 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 35.4 mt -67.28 -32.88 59.46 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.465 179.434 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 0.4 OUTLIER -68.33 -31.63 71.19 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.254 179.409 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 2.7 m-80 -70.37 -30.2 67.05 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.552 179.549 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 18.7 t-105 -79.22 -37.64 37.62 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.797 179.83 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.918 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 38.3 t . . . . . 0 N--CA 1.454 -0.269 0 N-CA-C 107.863 -1.162 . . . . 0.0 107.863 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 29.0 t80 -42.91 -28.99 0.29 Allowed 'General case' 0 N--CA 1.45 -0.453 0 CA-C-N 114.154 -1.385 . . . . 0.0 111.915 179.136 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 15.3 tttp -67.04 -44.82 79.22 Favored 'General case' 0 C--N 1.315 -0.894 0 CA-C-N 115.379 -0.828 . . . . 0.0 110.101 179.429 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.86 -31.05 70.52 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.093 -0.503 . . . . 0.0 109.902 178.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -63.64 -37.51 87.62 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.998 -0.547 . . . . 0.0 110.174 179.424 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -67.13 -32.73 74.05 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.261 179.462 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -69.69 -34.38 73.85 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.071 -0.513 . . . . 0.0 109.943 179.218 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -66.25 -33.27 75.38 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.193 179.313 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -67.26 -35.19 79.0 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.236 179.431 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 22.9 p -66.34 -31.03 71.56 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.097 179.286 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 10.7 mmtt -67.23 -31.9 72.58 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.311 179.424 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 34.8 mt -67.51 -36.02 75.02 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.524 179.418 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 44.4 t-105 -67.84 -32.04 72.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.184 179.338 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 45.1 m-80 -70.5 -30.31 67.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.421 179.505 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 6.8 m95 -75.48 -30.58 59.94 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.842 179.884 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 10.7 mptt . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.845 -179.983 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 17.0 t . . . . . 0 N--CA 1.455 -0.223 0 N-CA-C 107.807 -1.182 . . . . 0.0 107.807 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 24.1 t80 -43.39 -28.88 0.38 Allowed 'General case' 0 N--CA 1.45 -0.47 0 CA-C-N 114.095 -1.411 . . . . 0.0 111.689 178.798 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 30.0 tttp -65.5 -44.91 85.59 Favored 'General case' 0 C--N 1.315 -0.897 0 CA-C-N 115.297 -0.865 . . . . 0.0 110.184 179.459 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -60.81 -32.98 72.33 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.178 -0.465 . . . . 0.0 109.865 179.104 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 4.0 tp -62.96 -34.13 76.85 Favored 'General case' 0 N--CA 1.454 -0.229 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.166 179.418 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -65.13 -33.24 75.56 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.328 179.545 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 6.2 ttpp -69.16 -43.39 74.36 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.162 -0.472 . . . . 0.0 109.973 179.338 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -65.88 -31.07 71.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.026 -0.533 . . . . 0.0 109.895 179.117 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 1.3 t80 -68.95 -32.96 72.93 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.093 179.193 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 14.2 t -66.14 -33.64 76.24 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.062 179.27 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 11.1 mttt -64.74 -31.33 72.51 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.119 179.289 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 37.7 mt -65.62 -34.12 68.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.531 179.507 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 0.6 OUTLIER -67.51 -39.12 85.14 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.406 179.549 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 1.4 m-80 -71.72 -27.85 63.29 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.523 179.508 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 2.4 t-105 -85.05 -29.16 25.17 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.863 179.884 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 1.1 mttm . . . . . 0 C--N 1.331 -0.231 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.851 -180.0 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 16.1 t . . . . . 0 N--CA 1.455 -0.181 0 N-CA-C 107.752 -1.203 . . . . 0.0 107.752 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 31.6 t80 -44.75 -28.49 0.63 Allowed 'General case' 0 N--CA 1.449 -0.49 0 CA-C-N 114.183 -1.371 . . . . 0.0 111.452 178.707 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -64.62 -41.03 96.46 Favored 'General case' 0 C--N 1.316 -0.864 0 CA-C-N 115.229 -0.896 . . . . 0.0 110.078 179.374 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 8.7 mtt180 -59.39 -32.95 70.63 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.155 -0.475 . . . . 0.0 109.991 179.033 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -61.29 -36.07 79.05 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.383 179.504 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -64.46 -35.51 81.16 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.328 179.604 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 3.0 tptt -66.56 -39.14 88.37 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.178 -0.464 . . . . 0.0 109.946 179.269 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -62.77 -30.61 71.58 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.967 -0.56 . . . . 0.0 109.999 179.135 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 39.5 t80 -64.42 -36.8 85.32 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.287 179.376 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 51.5 p -62.92 -33.96 76.44 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.201 179.439 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -64.92 -30.37 71.36 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.236 179.345 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 35.8 mt -66.42 -34.32 69.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.541 179.506 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 1.0 OUTLIER -67.8 -30.43 69.86 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.523 179.53 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 83.5 m-20 -73.81 -26.76 60.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.656 179.569 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 6.9 t90 -82.69 -33.26 27.72 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.913 179.9 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.245 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.882 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 7.2 p . . . . . 0 N--CA 1.454 -0.246 0 N-CA-C 107.798 -1.186 . . . . 0.0 107.798 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 12.2 t80 -44.86 -28.04 0.6 Allowed 'General case' 0 N--CA 1.449 -0.502 0 CA-C-N 114.141 -1.391 . . . . 0.0 111.703 178.928 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 2.9 tmtt? -66.98 -40.73 87.48 Favored 'General case' 0 C--N 1.316 -0.885 0 CA-C-N 115.274 -0.875 . . . . 0.0 110.134 179.502 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -61.78 -32.77 73.07 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.067 -0.515 . . . . 0.0 109.989 179.162 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.3 mt -63.63 -39.19 93.72 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.249 179.499 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -66.28 -31.42 72.21 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.237 179.448 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -69.98 -36.23 75.04 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.125 179.346 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -67.47 -34.84 78.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.187 179.279 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -67.72 -33.18 74.38 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.113 -0.494 . . . . 0.0 109.963 179.201 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 6.1 t -65.42 -31.91 73.26 Favored 'General case' 0 N--CA 1.453 -0.282 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.072 179.147 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.98 -34.37 77.83 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.275 179.364 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 8.8 mm -63.63 -33.68 63.14 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.423 179.387 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' TRP . . . . . 0.412 ' CD1' ' HE2' ' A' ' 19' ' ' LYS . 0.6 OUTLIER -67.35 -25.46 66.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.467 179.375 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 2.6 t30 -75.2 -26.3 58.87 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.667 179.606 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' TRP . . . . . 0.421 ' HA ' ' CE3' ' A' ' 18' ' ' TRP . 0.0 OUTLIER -81.74 -31.99 31.74 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.102 -179.919 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.412 ' HE2' ' CD1' ' A' ' 16' ' ' TRP . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.265 0 CA-C-O 120.901 0.381 . . . . 0.0 111.126 -179.818 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 7.3 p . . . . . 0 N--CA 1.455 -0.2 0 N-CA-C 107.834 -1.173 . . . . 0.0 107.834 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 13.0 t80 -44.71 -28.07 0.57 Allowed 'General case' 0 N--CA 1.449 -0.487 0 CA-C-N 114.184 -1.371 . . . . 0.0 111.88 179.055 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 1.9 ttpp -68.11 -39.63 82.76 Favored 'General case' 0 C--N 1.315 -0.924 0 CA-C-N 115.425 -0.807 . . . . 0.0 110.032 179.506 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.71 -31.98 72.17 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.025 179.108 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.1 tt -63.37 -41.73 98.83 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.229 179.376 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 24.1 mt-10 -68.07 -31.4 71.01 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.248 -0.433 . . . . 0.0 109.895 179.188 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 1.7 tttp -69.6 -31.09 69.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.976 -0.556 . . . . 0.0 109.844 179.006 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 6.3 tp -65.53 -34.21 77.72 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.101 179.238 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 89.0 t80 -63.88 -34.49 78.06 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.263 179.442 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -65.1 -35.55 81.5 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.337 179.52 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 40.3 mttp -65.84 -36.14 82.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.177 179.434 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 53.8 mt -65.66 -29.49 47.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.209 179.157 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 2.5 t-105 -67.66 -35.26 78.54 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.424 179.494 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 6.1 m-80 -69.31 -31.25 69.6 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.736 179.803 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 0.4 OUTLIER -82.91 -31.8 27.61 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.779 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.851 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 7.1 p . . . . . 0 N--CA 1.454 -0.26 0 N-CA-C 107.825 -1.176 . . . . 0.0 107.825 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 52.5 t80 -40.64 -30.96 0.13 Allowed 'General case' 0 N--CA 1.45 -0.429 0 CA-C-N 114.163 -1.381 . . . . 0.0 111.798 178.92 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -65.09 -49.56 69.54 Favored 'General case' 0 C--N 1.315 -0.919 0 CA-C-N 115.209 -0.905 . . . . 0.0 110.122 179.422 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 9.2 mtm180 -62.15 -33.61 74.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.141 -0.481 . . . . 0.0 109.867 178.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.9 mp -65.98 -35.52 80.81 Favored 'General case' 0 N--CA 1.454 -0.261 0 CA-C-N 115.868 -0.606 . . . . 0.0 110.098 179.286 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 19.2 mm-40 -68.25 -31.92 71.74 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.102 179.275 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 6.5 mtmp? -70.06 -38.59 75.83 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.003 179.237 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 7.6 tt -66.5 -32.85 74.47 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.163 179.303 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -68.38 -34.26 75.73 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.111 179.289 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 59.0 m -66.19 -32.4 73.81 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.037 179.223 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 3.2 mttm -65.5 -32.19 73.66 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.229 179.328 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 44.2 mt -65.95 -33.17 61.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.415 179.426 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 0.9 OUTLIER -66.64 -32.7 74.19 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.306 179.471 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 29.4 m120 -68.96 -30.19 68.58 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.518 179.558 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 6.7 m95 -76.13 -37.29 58.22 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.766 179.814 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.924 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 7.4 p . . . . . 0 N--CA 1.455 -0.221 0 N-CA-C 107.83 -1.174 . . . . 0.0 107.83 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . 0.753 ' HA ' HD12 ' A' ' 8' ' ' LEU . 36.2 t80 -43.0 -29.19 0.32 Allowed 'General case' 0 N--CA 1.451 -0.412 0 CA-C-N 114.128 -1.397 . . . . 0.0 111.77 178.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 6.9 ttpp -66.27 -44.25 84.13 Favored 'General case' 0 C--N 1.315 -0.921 0 CA-C-N 115.356 -0.838 . . . . 0.0 110.19 179.502 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.71 -33.95 74.92 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.146 -0.479 . . . . 0.0 109.9 179.087 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.753 HD12 ' HA ' ' A' ' 5' ' ' PHE . 3.8 mt -63.77 -38.81 92.48 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.157 179.435 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -68.76 -31.36 70.33 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.17 -0.468 . . . . 0.0 109.998 179.171 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 1.2 mmtp -70.05 -33.87 72.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.002 -0.544 . . . . 0.0 109.926 179.195 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 7.6 tt -67.07 -35.93 80.91 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.273 179.414 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -68.02 -36.48 80.02 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.075 179.309 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 60.2 p -66.81 -30.41 70.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.068 -0.515 . . . . 0.0 109.97 179.159 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 28.8 ttmt -66.85 -33.25 75.2 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.157 179.361 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 8.0 mm -66.02 -33.71 65.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.52 179.49 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -68.22 -30.31 69.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.387 179.457 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 17.7 t30 -72.49 -31.1 65.1 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.659 179.666 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 46.4 t90 -80.64 -30.07 36.67 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.927 179.85 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 21.7 ttpt . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.919 179.978 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 32.8 t . . . . . 0 N--CA 1.454 -0.251 0 N-CA-C 107.97 -1.122 . . . . 0.0 107.97 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 13.8 t80 -42.79 -29.98 0.35 Allowed 'General case' 0 N--CA 1.451 -0.416 0 CA-C-N 114.107 -1.406 . . . . 0.0 111.962 179.205 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.11 -44.91 71.48 Favored 'General case' 0 C--N 1.313 -1.003 0 CA-C-N 115.461 -0.791 . . . . 0.0 109.836 179.367 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 7.5 mtp180 -60.35 -29.54 68.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.96 -0.564 . . . . 0.0 109.786 178.721 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.97 -36.45 83.53 Favored 'General case' 0 N--CA 1.455 -0.212 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.208 179.35 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 10.8 mt-10 -66.17 -36.79 84.02 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.31 179.43 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 7.2 mmtt -67.2 -32.2 73.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.158 -0.474 . . . . 0.0 109.873 179.197 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -65.23 -32.39 74.03 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.089 179.219 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 31.3 t80 -64.69 -33.83 76.87 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.326 179.445 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 31.1 t -65.24 -35.38 80.88 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.297 179.502 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 1.5 mmtt -65.38 -34.85 79.27 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.229 179.463 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 7.9 mm -66.43 -31.61 54.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.481 179.439 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 11.7 t-105 -69.22 -32.36 71.57 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.323 179.491 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 1.5 m120 -72.0 -29.48 64.26 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.597 179.61 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 79.1 t90 -80.19 -30.47 38.75 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.805 179.833 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.251 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.858 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 7.5 p . . . . . 0 N--CA 1.454 -0.236 0 N-CA-C 107.774 -1.195 . . . . 0.0 107.774 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 57.8 t80 -42.21 -30.05 0.28 Allowed 'General case' 0 N--CA 1.45 -0.458 0 CA-C-N 114.071 -1.422 . . . . 0.0 111.713 178.925 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 2.9 tttm -65.48 -46.13 80.98 Favored 'General case' 0 C--N 1.314 -0.938 0 CA-C-N 115.299 -0.864 . . . . 0.0 110.079 179.506 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 8.9 mtp180 -61.38 -33.11 73.12 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.056 179.156 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -66.27 -36.21 82.41 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.965 -0.562 . . . . 0.0 110.127 179.519 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -68.41 -30.5 69.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.074 179.28 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -69.98 -39.68 75.81 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.087 -0.506 . . . . 0.0 109.964 179.188 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 94.7 mt -65.08 -34.57 78.72 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.159 179.28 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 1.6 t80 -67.22 -31.55 72.0 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.197 -0.456 . . . . 0.0 109.951 179.091 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -65.66 -32.06 73.41 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.122 179.294 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 13.7 mttp -65.01 -36.72 85.31 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.3 179.381 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 47.4 mt -64.38 -30.8 51.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.278 179.187 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 0.6 OUTLIER -66.56 -30.71 71.08 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.366 179.409 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -69.37 -31.3 69.63 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.693 179.706 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -77.32 -31.85 54.88 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.845 179.879 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.328 -0.357 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.253 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 7.4 p . . . . . 0 N--CA 1.455 -0.221 0 N-CA-C 107.737 -1.208 . . . . 0.0 107.737 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 14.3 t80 -45.56 -27.63 0.8 Allowed 'General case' 0 N--CA 1.449 -0.508 0 CA-C-N 114.152 -1.386 . . . . 0.0 111.541 178.718 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 27.1 tttp -66.23 -39.16 89.35 Favored 'General case' 0 C--N 1.316 -0.887 0 CA-C-N 115.289 -0.868 . . . . 0.0 110.092 179.409 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.66 -33.44 72.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.021 179.192 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.52 HD13 ' O ' ' A' ' 8' ' ' LEU . 0.2 OUTLIER -62.29 -41.93 98.91 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.257 179.5 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -66.57 -30.97 71.39 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.071 179.262 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 5.9 tttt -69.89 -33.63 72.46 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.948 -0.569 . . . . 0.0 109.987 179.236 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 1.1 mp -66.66 -33.02 74.72 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.177 179.391 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 3.2 t80 -67.65 -33.77 75.62 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.218 179.402 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 58.7 m -66.46 -32.9 74.55 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.153 179.33 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.99 -32.99 74.79 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.196 179.366 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 8.0 mm -66.53 -31.75 54.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.481 179.46 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 23.1 m95 -68.67 -31.76 71.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.359 179.422 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 22.1 m-20 -71.8 -30.32 65.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.641 179.648 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -81.83 -32.69 31.09 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.838 179.87 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 6.3 mtpm? . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.906 179.974 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 22.0 t . . . . . 0 N--CA 1.456 -0.149 0 N-CA-C 107.671 -1.233 . . . . 0.0 107.671 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 10.7 t80 -44.81 -28.4 0.64 Allowed 'General case' 0 N--CA 1.448 -0.529 0 CA-C-N 114.107 -1.406 . . . . 0.0 111.418 178.557 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 6.9 ttmm -64.38 -42.07 96.35 Favored 'General case' 0 C--N 1.317 -0.837 0 CA-C-N 115.173 -0.922 . . . . 0.0 110.222 179.473 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.62 -38.46 87.74 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.157 179.25 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.5 mt -63.25 -33.6 75.84 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.101 179.412 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -65.47 -33.14 75.24 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.085 179.237 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -67.41 -46.69 72.44 Favored 'General case' 0 N--CA 1.454 -0.24 0 CA-C-N 116.008 -0.542 . . . . 0.0 109.984 179.185 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -65.0 -31.47 72.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.471 . . . . 0.0 109.838 179.063 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -68.37 -31.88 71.57 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.065 -0.516 . . . . 0.0 109.834 179.062 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 15.0 p -64.5 -33.24 75.44 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.136 179.274 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 46.5 tttt -64.41 -32.29 73.85 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.314 179.499 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 37.2 mt -66.24 -33.99 67.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.501 179.517 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 0.4 OUTLIER -67.05 -32.09 73.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.315 179.506 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -70.68 -29.81 66.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.503 179.613 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -77.03 -30.88 55.96 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.809 179.846 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 3.3 ttpp . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.858 -179.942 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 44.7 t . . . . . 0 N--CA 1.455 -0.211 0 N-CA-C 107.881 -1.155 . . . . 0.0 107.881 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 55.8 t80 -44.51 -28.2 0.55 Allowed 'General case' 0 N--CA 1.45 -0.463 0 CA-C-N 114.103 -1.408 . . . . 0.0 111.773 178.89 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 3.8 tmtm? -67.16 -41.0 86.74 Favored 'General case' 0 C--N 1.315 -0.929 0 CA-C-N 115.331 -0.85 . . . . 0.0 110.152 179.459 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 1.6 mmm180 -61.8 -33.12 73.55 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.024 179.148 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.8 tp -64.4 -39.22 93.43 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.283 179.511 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -66.0 -30.44 70.99 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.154 179.285 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 24.3 tttt -69.45 -39.43 77.76 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.086 179.349 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 1.7 mp -66.57 -36.18 82.02 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.131 179.342 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -68.62 -29.8 68.38 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.081 -0.509 . . . . 0.0 109.991 179.191 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -68.61 -32.89 73.09 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.183 179.306 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 6.5 tttt -68.26 -41.61 80.82 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.206 179.397 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 39.9 mt -67.55 -30.53 49.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.135 179.149 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -70.17 -30.31 67.42 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.144 179.206 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 -70.64 -31.61 68.62 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.602 179.656 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 7.4 t90 -85.01 -30.47 24.15 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.907 179.816 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 20.1 mttt . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.897 179.931 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 20.0 t . . . . . 0 N--CA 1.455 -0.213 0 N-CA-C 107.802 -1.184 . . . . 0.0 107.802 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . 0.404 ' HA ' HD12 ' A' ' 8' ' ' LEU . 42.0 t80 -44.32 -28.47 0.54 Allowed 'General case' 0 N--CA 1.449 -0.486 0 CA-C-N 114.001 -1.454 . . . . 0.0 111.588 178.705 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -65.53 -42.6 91.79 Favored 'General case' 0 C--N 1.315 -0.892 0 CA-C-N 115.267 -0.879 . . . . 0.0 110.204 179.508 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 6.4 mtp180 -61.17 -34.55 75.21 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.105 179.199 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.404 HD12 ' HA ' ' A' ' 5' ' ' PHE . 0.8 OUTLIER -64.07 -39.48 94.16 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.125 179.45 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -67.14 -30.31 70.26 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.041 179.203 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 10.8 mttp -70.0 -38.06 75.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.059 179.277 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -67.04 -34.87 78.64 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.133 179.408 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -69.05 -32.38 71.82 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.068 179.21 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -67.47 -32.15 72.78 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.046 179.251 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.34 -34.18 77.4 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.275 179.433 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 35.0 mt -66.68 -32.34 57.6 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.404 179.469 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 2.3 t-105 -68.37 -31.32 70.62 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.042 -0.527 . . . . 0.0 110.308 179.434 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 3.2 t-20 -70.75 -31.06 67.75 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.584 179.694 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -77.28 -30.67 54.36 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.802 179.861 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 24.9 tttt . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.925 179.947 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 40.5 t . . . . . 0 N--CA 1.454 -0.229 0 N-CA-C 107.832 -1.173 . . . . 0.0 107.832 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 24.9 t80 -43.61 -28.66 0.41 Allowed 'General case' 0 N--CA 1.45 -0.468 0 CA-C-N 114.144 -1.389 . . . . 0.0 111.808 178.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . 0.413 ' O ' ' CG ' ' A' ' 9' ' ' GLU . 0.0 OUTLIER -67.33 -42.32 83.78 Favored 'General case' 0 C--N 1.315 -0.916 0 CA-C-N 115.332 -0.849 . . . . 0.0 110.247 179.582 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.46 -29.04 70.38 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.234 -0.439 . . . . 0.0 109.932 179.06 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -66.21 -41.16 90.52 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.505 179.657 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . 0.413 ' CG ' ' O ' ' A' ' 6' ' ' LYS . 0.1 OUTLIER -65.97 -27.74 68.38 Favored 'General case' 0 C--N 1.332 -0.186 0 C-N-CA 120.776 -0.369 . . . . 0.0 110.167 179.492 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.409 ' N ' ' HG3' ' A' ' 9' ' ' GLU . 0.0 OUTLIER -70.25 -41.02 74.08 Favored 'General case' 0 N--CA 1.454 -0.231 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.054 179.095 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 74.8 mt -63.09 -31.37 72.5 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.093 179.217 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 71.2 t80 -66.14 -33.28 75.41 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.202 179.398 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 12.9 t -65.27 -35.1 79.98 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.3 179.448 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 22.9 mtpt -65.69 -31.88 73.14 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.378 179.432 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 36.1 mt -67.95 -33.81 63.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.526 179.436 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' TRP . . . . . 0.402 ' CE3' ' HA ' ' A' ' 16' ' ' TRP . 0.0 OUTLIER -68.93 -32.36 71.92 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.303 179.501 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 1.1 t30 -72.16 -28.84 63.49 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.449 179.507 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -78.45 -30.47 47.51 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.754 179.833 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.241 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.895 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . 0.565 ' HB3' ' HE2' ' A' ' 3' ' ' LYS . . . . . . . . 0 N--CA 1.486 1.342 0 CA-C-O 120.797 0.332 . . . . 0.0 110.989 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.81 53.52 0.92 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.904 179.911 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.565 ' HE2' ' HB3' ' A' ' 1' ' ' ALA . 0.0 OUTLIER -97.96 38.33 1.32 Allowed 'General case' 0 CA--C 1.514 -0.418 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.187 -179.943 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 46.3 t -63.35 -16.21 17.53 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 N-CA-C 107.776 -1.194 . . . . 0.0 107.776 176.49 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 54.3 t80 -43.26 -29.05 0.36 Allowed 'General case' 0 N--CA 1.45 -0.426 0 CA-C-N 114.095 -1.411 . . . . 0.0 111.666 178.792 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.08 -44.6 83.96 Favored 'General case' 0 C--N 1.315 -0.928 0 CA-C-N 115.33 -0.85 . . . . 0.0 110.228 179.551 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 2.7 mpp_? -62.05 -32.0 72.47 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.186 -0.461 . . . . 0.0 109.926 179.092 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 4.1 tp -64.58 -33.12 75.18 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.194 179.375 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 11.8 mt-10 -65.3 -34.36 78.15 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.361 179.519 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 15.4 tttt -67.99 -43.18 79.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.243 -0.435 . . . . 0.0 109.925 179.256 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 6.3 mt -63.57 -30.21 71.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.057 -0.519 . . . . 0.0 109.914 179.04 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 1.6 t80 -66.15 -33.16 75.14 Favored 'General case' 0 N--CA 1.455 -0.215 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.094 179.241 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 14.7 t -64.26 -37.23 86.76 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.294 179.517 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.15 -32.59 74.21 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.154 179.464 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 37.0 mt -65.88 -31.53 54.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.305 179.306 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 2.9 m0 -66.94 -31.46 72.06 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.418 179.523 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -70.68 -32.36 69.58 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.706 179.762 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . 0.4 ' CE3' ' HA ' ' A' ' 18' ' ' TRP . 0.0 OUTLIER -85.05 -29.88 24.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.822 179.92 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.54 148.97 26.73 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.871 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.341 0 CA-C-N 116.291 -0.413 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.366 0 CA-C-O 120.812 0.339 . . . . 0.0 110.984 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -99.73 47.09 0.95 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.893 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -143.04 37.49 1.41 Allowed 'General case' 0 CA--C 1.513 -0.449 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.113 179.906 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 40.1 t -66.41 -12.37 14.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 N-CA-C 107.863 -1.162 . . . . 0.0 107.863 176.406 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 13.2 t80 -45.23 -27.7 0.67 Allowed 'General case' 0 N--CA 1.449 -0.496 0 CA-C-N 114.157 -1.383 . . . . 0.0 111.693 179.025 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.31 -39.63 85.93 Favored 'General case' 0 C--N 1.315 -0.903 0 CA-C-N 115.362 -0.835 . . . . 0.0 110.16 179.452 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 2.2 mtp-105 -61.6 -32.65 72.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.014 179.148 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.96 -41.62 99.58 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.284 179.453 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -64.05 -31.38 72.55 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.064 179.352 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -67.4 -39.21 85.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.084 179.339 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -64.96 -37.88 89.11 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.218 179.34 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -66.8 -30.5 70.71 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.051 179.204 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 3.7 m -67.53 -33.22 74.62 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.169 179.274 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -66.07 -32.35 73.77 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.266 179.46 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 44.5 mt -67.49 -35.67 74.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.491 179.485 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 18.0 m95 -67.23 -29.27 68.86 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.299 179.34 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 3.1 t30 -71.3 -31.56 67.58 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.58 179.666 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -84.98 -30.69 24.03 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.815 179.824 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.33 147.77 49.24 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.921 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.37 0 CA-C-N 116.343 -0.389 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.369 0 CA-C-O 120.778 0.323 . . . . 0.0 111.024 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -93.94 47.05 1.19 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.019 0.438 . . . . 0.0 110.789 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -151.32 38.7 0.64 Allowed 'General case' 0 CA--C 1.514 -0.421 0 CA-C-N 116.044 -0.525 . . . . 0.0 111.138 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 42.4 t -63.52 -15.68 16.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 N-CA-C 107.794 -1.187 . . . . 0.0 107.794 176.409 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 55.6 t80 -44.86 -28.42 0.65 Allowed 'General case' 0 N--CA 1.449 -0.51 0 CA-C-N 114.127 -1.397 . . . . 0.0 111.6 178.76 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.95 -40.47 91.36 Favored 'General case' 0 C--N 1.315 -0.902 0 CA-C-N 115.234 -0.893 . . . . 0.0 110.188 179.501 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 1.5 mmm180 -61.68 -34.56 75.96 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.095 179.2 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -63.38 -36.03 82.37 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.288 179.515 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 30.5 mt-10 -67.01 -33.27 75.19 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.169 179.384 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -67.81 -39.29 83.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.048 -0.524 . . . . 0.0 109.838 179.127 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -62.22 -30.86 71.39 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.022 -0.536 . . . . 0.0 109.921 179.044 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -63.67 -33.16 75.02 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.056 179.25 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -61.78 -36.99 82.69 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.292 179.423 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 13.9 tttt -61.62 -32.01 72.13 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.163 179.299 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 36.4 mt -63.58 -31.51 53.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.198 179.243 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -63.85 -33.14 75.03 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.388 179.46 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 2.4 m120 -66.76 -35.46 80.15 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.689 179.784 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -85.04 -36.3 21.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.822 179.939 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 6.2 tttm -76.71 113.22 14.11 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.839 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.303 -0.408 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.314 0 CA-C-O 120.769 0.319 . . . . 0.0 111.064 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -93.58 47.55 1.24 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.889 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 5.9 pttm -98.1 39.74 1.21 Allowed 'General case' 0 CA--C 1.514 -0.404 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.201 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 39.7 t -61.97 -16.59 15.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 N-CA-C 107.777 -1.194 . . . . 0.0 107.777 176.369 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 28.0 t80 -45.35 -28.09 0.79 Allowed 'General case' 0 N--CA 1.448 -0.554 0 CA-C-N 114.104 -1.407 . . . . 0.0 111.425 178.51 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.96 -39.31 93.29 Favored 'General case' 0 C--N 1.316 -0.868 0 CA-C-N 115.184 -0.916 . . . . 0.0 110.158 179.441 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -60.75 -35.17 75.73 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.124 179.235 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.452 HD12 ' HA ' ' A' ' 8' ' ' LEU . 11.2 tp -62.5 -40.94 98.34 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.305 179.519 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -64.16 -31.65 72.93 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.101 179.232 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.1 -40.22 86.87 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.049 179.32 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 80.6 mt -64.79 -36.82 85.55 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.243 179.368 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -67.81 -32.6 73.25 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.138 -0.483 . . . . 0.0 109.967 179.287 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 1.2 t -66.95 -31.3 71.78 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.066 179.222 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.42 -34.24 77.5 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.353 179.445 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 34.1 mt -67.36 -34.79 71.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.537 179.533 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 13.9 t90 -69.14 -31.48 70.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.28 179.391 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 52.8 t-20 -72.16 -29.73 64.31 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.51 179.487 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 0.8 OUTLIER -78.4 -30.16 47.63 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.826 179.775 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 1.5 ttpm? -73.95 -41.08 62.52 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.874 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.357 -0.383 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.374 0 CA-C-O 120.797 0.332 . . . . 0.0 111.037 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 5.8 pttp -99.99 47.69 0.94 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.948 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -144.24 37.34 1.25 Allowed 'General case' 0 CA--C 1.514 -0.407 0 CA-C-O 121.056 0.455 . . . . 0.0 111.212 179.922 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 7.3 p -64.66 -15.46 17.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 N-CA-C 107.711 -1.218 . . . . 0.0 107.711 176.524 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . 0.412 ' HA ' HD12 ' A' ' 8' ' ' LEU . 51.2 t80 -43.31 -29.26 0.4 Allowed 'General case' 0 N--CA 1.45 -0.449 0 CA-C-N 114.111 -1.404 . . . . 0.0 111.758 178.912 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -66.41 -44.37 83.18 Favored 'General case' 0 C--N 1.315 -0.931 0 CA-C-N 115.275 -0.875 . . . . 0.0 110.239 179.621 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 3.4 mpt_? -62.99 -34.24 77.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.127 -0.488 . . . . 0.0 109.967 179.159 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.412 HD12 ' HA ' ' A' ' 5' ' ' PHE . 9.8 mt -65.07 -36.01 82.96 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.158 179.447 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -69.14 -31.95 70.98 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.071 179.273 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.13 -35.93 74.43 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.059 179.293 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -68.38 -35.38 77.62 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.146 179.386 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -69.23 -32.13 71.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 0.0 109.996 179.285 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -68.7 -31.24 70.19 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.1 179.198 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -67.64 -32.81 73.77 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.184 179.376 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 37.5 mt -67.41 -31.25 52.01 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.449 179.453 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -69.62 -33.08 72.14 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.454 179.59 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -73.2 -30.06 63.25 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.589 179.692 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 4.4 m0 -84.96 -30.04 24.6 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.908 179.811 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 74.7 tttt -81.32 130.67 35.13 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.864 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.289 -0.414 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.372 0 CA-C-O 120.817 0.341 . . . . 0.0 111.034 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 21.4 tttm -99.77 47.39 0.95 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.898 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -120.23 37.17 4.32 Favored 'General case' 0 CA--C 1.514 -0.442 0 CA-C-O 121.131 0.491 . . . . 0.0 111.101 179.838 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 45.3 t -66.46 -12.87 15.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 N-CA-C 107.855 -1.165 . . . . 0.0 107.855 176.549 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 59.0 t80 -43.87 -28.5 0.45 Allowed 'General case' 0 N--CA 1.45 -0.449 0 CA-C-N 114.129 -1.396 . . . . 0.0 111.931 179.157 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -68.31 -41.48 80.82 Favored 'General case' 0 C--N 1.315 -0.899 0 CA-C-N 115.42 -0.809 . . . . 0.0 110.076 179.548 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 5.7 mtt180 -62.18 -31.45 71.96 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.077 -0.51 . . . . 0.0 109.991 179.024 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -64.24 -38.47 91.15 Favored 'General case' 0 N--CA 1.455 -0.199 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.239 179.468 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 7.9 mt-10 -67.04 -31.77 72.52 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.173 179.373 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 4.1 mtmt -69.62 -37.08 76.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.047 179.265 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 63.2 mt -67.15 -35.61 80.07 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.283 179.347 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -69.43 -31.63 70.08 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.0 179.266 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 28.6 t -68.78 -31.22 70.1 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.065 179.194 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.26 -33.38 75.21 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.21 179.406 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 35.4 mt -67.28 -32.88 59.46 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.465 179.434 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 0.4 OUTLIER -68.33 -31.63 71.19 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.254 179.409 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 2.7 m-80 -70.37 -30.2 67.05 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.552 179.549 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 18.7 t-105 -79.22 -37.64 37.62 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.797 179.83 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.08 74.99 10.41 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.918 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.367 0 CA-C-N 116.298 -0.41 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.323 0 CA-C-O 120.801 0.334 . . . . 0.0 111.043 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.98 47.12 0.95 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.917 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -147.23 37.29 0.93 Allowed 'General case' 0 CA--C 1.514 -0.408 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.134 179.83 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 38.3 t -66.9 -12.52 15.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 N-CA-C 107.863 -1.162 . . . . 0.0 107.863 176.507 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 29.0 t80 -42.91 -28.99 0.29 Allowed 'General case' 0 N--CA 1.45 -0.453 0 CA-C-N 114.154 -1.385 . . . . 0.0 111.915 179.136 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 15.3 tttp -67.04 -44.82 79.22 Favored 'General case' 0 C--N 1.315 -0.894 0 CA-C-N 115.379 -0.828 . . . . 0.0 110.101 179.429 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.86 -31.05 70.52 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.093 -0.503 . . . . 0.0 109.902 178.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -63.64 -37.51 87.62 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.998 -0.547 . . . . 0.0 110.174 179.424 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -67.13 -32.73 74.05 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.261 179.462 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -69.69 -34.38 73.85 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.071 -0.513 . . . . 0.0 109.943 179.218 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -66.25 -33.27 75.38 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.193 179.313 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -67.26 -35.19 79.0 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.236 179.431 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 22.9 p -66.34 -31.03 71.56 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.097 179.286 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 10.7 mmtt -67.23 -31.9 72.58 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.311 179.424 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 34.8 mt -67.51 -36.02 75.02 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.524 179.418 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 44.4 t-105 -67.84 -32.04 72.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.184 179.338 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 45.1 m-80 -70.5 -30.31 67.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.421 179.505 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 6.8 m95 -75.48 -30.58 59.94 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.842 179.884 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 10.7 mptt -82.11 91.23 6.64 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.845 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.326 -0.397 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.358 0 CA-C-O 120.825 0.345 . . . . 0.0 111.049 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 6.1 ttmt -95.88 47.83 1.11 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.909 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.88 38.13 2.17 Favored 'General case' 0 CA--C 1.514 -0.428 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.185 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 17.0 t -64.15 -15.56 17.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 N-CA-C 107.807 -1.182 . . . . 0.0 107.807 176.437 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 24.1 t80 -43.39 -28.88 0.38 Allowed 'General case' 0 N--CA 1.45 -0.47 0 CA-C-N 114.095 -1.411 . . . . 0.0 111.689 178.798 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 30.0 tttp -65.5 -44.91 85.59 Favored 'General case' 0 C--N 1.315 -0.897 0 CA-C-N 115.297 -0.865 . . . . 0.0 110.184 179.459 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -60.81 -32.98 72.33 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.178 -0.465 . . . . 0.0 109.865 179.104 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 4.0 tp -62.96 -34.13 76.85 Favored 'General case' 0 N--CA 1.454 -0.229 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.166 179.418 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -65.13 -33.24 75.56 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.328 179.545 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 6.2 ttpp -69.16 -43.39 74.36 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.162 -0.472 . . . . 0.0 109.973 179.338 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -65.88 -31.07 71.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.026 -0.533 . . . . 0.0 109.895 179.117 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 1.3 t80 -68.95 -32.96 72.93 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.093 179.193 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 14.2 t -66.14 -33.64 76.24 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.062 179.27 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 11.1 mttt -64.74 -31.33 72.51 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.119 179.289 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 37.7 mt -65.62 -34.12 68.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.531 179.507 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 0.6 OUTLIER -67.51 -39.12 85.14 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.406 179.549 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 1.4 m-80 -71.72 -27.85 63.29 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.523 179.508 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 2.4 t-105 -85.05 -29.16 25.17 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.863 179.884 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 1.1 mttm -71.51 114.18 9.31 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.851 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.354 0 CA-C-N 116.362 -0.381 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.318 0 CA-C-O 120.817 0.341 . . . . 0.0 111.067 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -100.11 54.5 0.91 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.662 179.92 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.35 38.48 3.05 Favored 'General case' 0 CA--C 1.515 -0.388 0 CA-C-N 116.013 -0.54 . . . . 0.0 111.116 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 16.1 t -64.01 -15.0 16.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 N-CA-C 107.752 -1.203 . . . . 0.0 107.752 176.349 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 31.6 t80 -44.75 -28.49 0.63 Allowed 'General case' 0 N--CA 1.449 -0.49 0 CA-C-N 114.183 -1.371 . . . . 0.0 111.452 178.707 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -64.62 -41.03 96.46 Favored 'General case' 0 C--N 1.316 -0.864 0 CA-C-N 115.229 -0.896 . . . . 0.0 110.078 179.374 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 8.7 mtt180 -59.39 -32.95 70.63 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.155 -0.475 . . . . 0.0 109.991 179.033 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -61.29 -36.07 79.05 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.383 179.504 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -64.46 -35.51 81.16 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.328 179.604 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 3.0 tptt -66.56 -39.14 88.37 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.178 -0.464 . . . . 0.0 109.946 179.269 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -62.77 -30.61 71.58 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.967 -0.56 . . . . 0.0 109.999 179.135 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 39.5 t80 -64.42 -36.8 85.32 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.287 179.376 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 51.5 p -62.92 -33.96 76.44 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.201 179.439 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -64.92 -30.37 71.36 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.236 179.345 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 35.8 mt -66.42 -34.32 69.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.541 179.506 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 1.0 OUTLIER -67.8 -30.43 69.86 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.523 179.53 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 83.5 m-20 -73.81 -26.76 60.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.656 179.569 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 6.9 t90 -82.69 -33.26 27.72 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.913 179.9 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.99 -32.61 22.87 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.882 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.372 0 CA-C-N 116.327 -0.397 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.347 0 CA-C-O 120.789 0.328 . . . . 0.0 111.056 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.03 53.55 0.91 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.878 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.28 37.9 1.4 Allowed 'General case' 0 CA--C 1.515 -0.4 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.131 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 7.2 p -65.14 -14.29 16.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 N-CA-C 107.798 -1.186 . . . . 0.0 107.798 176.416 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 12.2 t80 -44.86 -28.04 0.6 Allowed 'General case' 0 N--CA 1.449 -0.502 0 CA-C-N 114.141 -1.391 . . . . 0.0 111.703 178.928 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 2.9 tmtt? -66.98 -40.73 87.48 Favored 'General case' 0 C--N 1.316 -0.885 0 CA-C-N 115.274 -0.875 . . . . 0.0 110.134 179.502 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -61.78 -32.77 73.07 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.067 -0.515 . . . . 0.0 109.989 179.162 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.3 mt -63.63 -39.19 93.72 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.249 179.499 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -66.28 -31.42 72.21 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.237 179.448 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -69.98 -36.23 75.04 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.125 179.346 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -67.47 -34.84 78.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.187 179.279 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -67.72 -33.18 74.38 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.113 -0.494 . . . . 0.0 109.963 179.201 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 6.1 t -65.42 -31.91 73.26 Favored 'General case' 0 N--CA 1.453 -0.282 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.072 179.147 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.98 -34.37 77.83 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.275 179.364 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 8.8 mm -63.63 -33.68 63.14 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.423 179.387 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . 0.412 ' CD1' ' HE2' ' A' ' 19' ' ' LYS . 0.6 OUTLIER -67.35 -25.46 66.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.467 179.375 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 2.6 t30 -75.2 -26.3 58.87 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.667 179.606 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . 0.421 ' HA ' ' CE3' ' A' ' 18' ' ' TRP . 0.0 OUTLIER -81.74 -31.99 31.74 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.102 -179.919 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.412 ' HE2' ' CD1' ' A' ' 16' ' ' TRP . 0.0 OUTLIER -58.75 -28.99 66.4 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.901 0.381 . . . . 0.0 111.126 -179.818 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.474 -0.33 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.373 0 CA-C-O 120.78 0.324 . . . . 0.0 111.036 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -93.97 47.73 1.23 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.895 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 42.2 pttt -140.86 38.2 1.8 Allowed 'General case' 0 CA--C 1.514 -0.43 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.019 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 7.3 p -64.94 -13.71 15.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 N-CA-C 107.834 -1.173 . . . . 0.0 107.834 176.508 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 13.0 t80 -44.71 -28.07 0.57 Allowed 'General case' 0 N--CA 1.449 -0.487 0 CA-C-N 114.184 -1.371 . . . . 0.0 111.88 179.055 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 1.9 ttpp -68.11 -39.63 82.76 Favored 'General case' 0 C--N 1.315 -0.924 0 CA-C-N 115.425 -0.807 . . . . 0.0 110.032 179.506 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.71 -31.98 72.17 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.025 179.108 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.1 tt -63.37 -41.73 98.83 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.229 179.376 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 24.1 mt-10 -68.07 -31.4 71.01 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.248 -0.433 . . . . 0.0 109.895 179.188 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 1.7 tttp -69.6 -31.09 69.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.976 -0.556 . . . . 0.0 109.844 179.006 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 6.3 tp -65.53 -34.21 77.72 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.101 179.238 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 89.0 t80 -63.88 -34.49 78.06 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.263 179.442 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -65.1 -35.55 81.5 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.337 179.52 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 40.3 mttp -65.84 -36.14 82.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.177 179.434 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 53.8 mt -65.66 -29.49 47.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.209 179.157 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 2.5 t-105 -67.66 -35.26 78.54 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.424 179.494 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 6.1 m-80 -69.31 -31.25 69.6 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.736 179.803 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 0.4 OUTLIER -82.91 -31.8 27.61 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.779 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.08 113.92 6.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.851 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.326 -0.397 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.372 0 CA-C-O 120.822 0.344 . . . . 0.0 111.019 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 4.3 tttp -100.01 54.2 0.91 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.747 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 7.1 tptp -95.4 38.61 1.14 Allowed 'General case' 0 CA--C 1.515 -0.366 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.316 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 7.1 p -65.52 -14.13 16.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 N-CA-C 107.825 -1.176 . . . . 0.0 107.825 176.464 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 52.5 t80 -40.64 -30.96 0.13 Allowed 'General case' 0 N--CA 1.45 -0.429 0 CA-C-N 114.163 -1.381 . . . . 0.0 111.798 178.92 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -65.09 -49.56 69.54 Favored 'General case' 0 C--N 1.315 -0.919 0 CA-C-N 115.209 -0.905 . . . . 0.0 110.122 179.422 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 9.2 mtm180 -62.15 -33.61 74.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.141 -0.481 . . . . 0.0 109.867 178.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.9 mp -65.98 -35.52 80.81 Favored 'General case' 0 N--CA 1.454 -0.261 0 CA-C-N 115.868 -0.606 . . . . 0.0 110.098 179.286 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 19.2 mm-40 -68.25 -31.92 71.74 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.102 179.275 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 6.5 mtmp? -70.06 -38.59 75.83 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.003 179.237 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 7.6 tt -66.5 -32.85 74.47 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.163 179.303 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -68.38 -34.26 75.73 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.111 179.289 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 59.0 m -66.19 -32.4 73.81 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.037 179.223 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 3.2 mttm -65.5 -32.19 73.66 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.229 179.328 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 44.2 mt -65.95 -33.17 61.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.415 179.426 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 0.9 OUTLIER -66.64 -32.7 74.19 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.306 179.471 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 29.4 m120 -68.96 -30.19 68.58 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.518 179.558 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 6.7 m95 -76.13 -37.29 58.22 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.766 179.814 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -85.05 -65.19 1.04 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.924 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.35 0 CA-C-N 116.33 -0.395 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.34 0 CA-C-O 120.842 0.353 . . . . 0.0 110.998 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.96 47.81 1.11 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.945 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 8.1 pttt -108.3 37.95 2.35 Favored 'General case' 0 CA--C 1.514 -0.413 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.156 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 7.4 p -65.38 -13.93 16.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 N-CA-C 107.83 -1.174 . . . . 0.0 107.83 176.496 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . 0.753 ' HA ' HD12 ' A' ' 8' ' ' LEU . 36.2 t80 -43.0 -29.19 0.32 Allowed 'General case' 0 N--CA 1.451 -0.412 0 CA-C-N 114.128 -1.397 . . . . 0.0 111.77 178.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 6.9 ttpp -66.27 -44.25 84.13 Favored 'General case' 0 C--N 1.315 -0.921 0 CA-C-N 115.356 -0.838 . . . . 0.0 110.19 179.502 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.71 -33.95 74.92 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.146 -0.479 . . . . 0.0 109.9 179.087 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.753 HD12 ' HA ' ' A' ' 5' ' ' PHE . 3.8 mt -63.77 -38.81 92.48 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.157 179.435 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -68.76 -31.36 70.33 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.17 -0.468 . . . . 0.0 109.998 179.171 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 1.2 mmtp -70.05 -33.87 72.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.002 -0.544 . . . . 0.0 109.926 179.195 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 7.6 tt -67.07 -35.93 80.91 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.273 179.414 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -68.02 -36.48 80.02 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.075 179.309 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 60.2 p -66.81 -30.41 70.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.068 -0.515 . . . . 0.0 109.97 179.159 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 28.8 ttmt -66.85 -33.25 75.2 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.157 179.361 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 8.0 mm -66.02 -33.71 65.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.52 179.49 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -68.22 -30.31 69.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.387 179.457 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 17.7 t30 -72.49 -31.1 65.1 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.659 179.666 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 46.4 t90 -80.64 -30.07 36.67 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.927 179.85 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 21.7 ttpt -67.5 92.11 0.3 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.919 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.326 -0.397 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.365 0 CA-C-O 120.869 0.366 . . . . 0.0 111.034 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -94.86 47.0 1.14 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.938 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -169.95 36.99 0.02 OUTLIER 'General case' 0 CA--C 1.514 -0.441 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.99 179.924 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 32.8 t -65.46 -13.69 15.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 N-CA-C 107.97 -1.122 . . . . 0.0 107.97 176.556 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 13.8 t80 -42.79 -29.98 0.35 Allowed 'General case' 0 N--CA 1.451 -0.416 0 CA-C-N 114.107 -1.406 . . . . 0.0 111.962 179.205 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.11 -44.91 71.48 Favored 'General case' 0 C--N 1.313 -1.003 0 CA-C-N 115.461 -0.791 . . . . 0.0 109.836 179.367 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 7.5 mtp180 -60.35 -29.54 68.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.96 -0.564 . . . . 0.0 109.786 178.721 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.97 -36.45 83.53 Favored 'General case' 0 N--CA 1.455 -0.212 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.208 179.35 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 10.8 mt-10 -66.17 -36.79 84.02 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.31 179.43 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 7.2 mmtt -67.2 -32.2 73.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.158 -0.474 . . . . 0.0 109.873 179.197 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -65.23 -32.39 74.03 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.089 179.219 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 31.3 t80 -64.69 -33.83 76.87 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.326 179.445 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 31.1 t -65.24 -35.38 80.88 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.297 179.502 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 1.5 mmtt -65.38 -34.85 79.27 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.229 179.463 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 7.9 mm -66.43 -31.61 54.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.481 179.439 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 11.7 t-105 -69.22 -32.36 71.57 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.323 179.491 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 1.5 m120 -72.0 -29.48 64.26 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.597 179.61 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 79.1 t90 -80.19 -30.47 38.75 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.805 179.833 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.01 83.34 4.32 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.858 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.361 0 CA-C-N 116.337 -0.392 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.487 1.383 0 CA-C-O 120.811 0.338 . . . . 0.0 111.035 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 1.6 tttt -94.15 46.8 1.18 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.884 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 11.3 tttt -140.54 38.61 1.86 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.239 179.906 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 7.5 p -64.61 -15.13 17.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 N-CA-C 107.774 -1.195 . . . . 0.0 107.774 176.477 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 57.8 t80 -42.21 -30.05 0.28 Allowed 'General case' 0 N--CA 1.45 -0.458 0 CA-C-N 114.071 -1.422 . . . . 0.0 111.713 178.925 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 2.9 tttm -65.48 -46.13 80.98 Favored 'General case' 0 C--N 1.314 -0.938 0 CA-C-N 115.299 -0.864 . . . . 0.0 110.079 179.506 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 8.9 mtp180 -61.38 -33.11 73.12 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.056 179.156 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -66.27 -36.21 82.41 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.965 -0.562 . . . . 0.0 110.127 179.519 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -68.41 -30.5 69.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.074 179.28 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -69.98 -39.68 75.81 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.087 -0.506 . . . . 0.0 109.964 179.188 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 94.7 mt -65.08 -34.57 78.72 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.159 179.28 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 1.6 t80 -67.22 -31.55 72.0 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.197 -0.456 . . . . 0.0 109.951 179.091 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -65.66 -32.06 73.41 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.122 179.294 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 13.7 mttp -65.01 -36.72 85.31 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.3 179.381 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 47.4 mt -64.38 -30.8 51.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.278 179.187 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 0.6 OUTLIER -66.56 -30.71 71.08 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.366 179.409 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -69.37 -31.3 69.63 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.693 179.706 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -77.32 -31.85 54.88 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.845 179.879 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -76.7 -18.06 58.74 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.253 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.257 0 CA-C-N 116.613 -0.267 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.334 0 CA-C-O 120.824 0.345 . . . . 0.0 111.025 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 3.5 pttp -99.95 53.59 0.91 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.88 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -97.82 38.89 1.25 Allowed 'General case' 0 CA--C 1.514 -0.422 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.179 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 7.4 p -63.83 -15.09 16.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 N-CA-C 107.737 -1.208 . . . . 0.0 107.737 176.398 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 14.3 t80 -45.56 -27.63 0.8 Allowed 'General case' 0 N--CA 1.449 -0.508 0 CA-C-N 114.152 -1.386 . . . . 0.0 111.541 178.718 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 27.1 tttp -66.23 -39.16 89.35 Favored 'General case' 0 C--N 1.316 -0.887 0 CA-C-N 115.289 -0.868 . . . . 0.0 110.092 179.409 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.66 -33.44 72.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.021 179.192 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.52 HD13 ' O ' ' A' ' 8' ' ' LEU . 0.2 OUTLIER -62.29 -41.93 98.91 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.257 179.5 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -66.57 -30.97 71.39 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.071 179.262 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 5.9 tttt -69.89 -33.63 72.46 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.948 -0.569 . . . . 0.0 109.987 179.236 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 1.1 mp -66.66 -33.02 74.72 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.177 179.391 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 3.2 t80 -67.65 -33.77 75.62 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.218 179.402 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 58.7 m -66.46 -32.9 74.55 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.153 179.33 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.99 -32.99 74.79 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.196 179.366 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 8.0 mm -66.53 -31.75 54.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.481 179.46 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 23.1 m95 -68.67 -31.76 71.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.359 179.422 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 22.1 m-20 -71.8 -30.32 65.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.641 179.648 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -81.83 -32.69 31.09 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.838 179.87 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 6.3 mtpm? -85.03 160.59 19.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.906 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.349 0 CA-C-N 116.38 -0.373 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.344 0 CA-C-O 120.895 0.379 . . . . 0.0 111.004 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.03 48.15 0.93 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.909 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 15.8 tttt -169.73 38.28 0.02 OUTLIER 'General case' 0 CA--C 1.515 -0.391 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.178 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 22.0 t -63.22 -16.27 17.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 N-CA-C 107.671 -1.233 . . . . 0.0 107.671 176.416 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 10.7 t80 -44.81 -28.4 0.64 Allowed 'General case' 0 N--CA 1.448 -0.529 0 CA-C-N 114.107 -1.406 . . . . 0.0 111.418 178.557 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 6.9 ttmm -64.38 -42.07 96.35 Favored 'General case' 0 C--N 1.317 -0.837 0 CA-C-N 115.173 -0.922 . . . . 0.0 110.222 179.473 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.62 -38.46 87.74 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.157 179.25 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.5 mt -63.25 -33.6 75.84 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.101 179.412 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -65.47 -33.14 75.24 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.085 179.237 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -67.41 -46.69 72.44 Favored 'General case' 0 N--CA 1.454 -0.24 0 CA-C-N 116.008 -0.542 . . . . 0.0 109.984 179.185 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -65.0 -31.47 72.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.471 . . . . 0.0 109.838 179.063 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -68.37 -31.88 71.57 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.065 -0.516 . . . . 0.0 109.834 179.062 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 15.0 p -64.5 -33.24 75.44 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.136 179.274 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 46.5 tttt -64.41 -32.29 73.85 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.314 179.499 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 37.2 mt -66.24 -33.99 67.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.501 179.517 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 0.4 OUTLIER -67.05 -32.09 73.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.315 179.506 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -70.68 -29.81 66.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.503 179.613 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -77.03 -30.88 55.96 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.809 179.846 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 3.3 ttpp -76.91 136.47 38.82 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.858 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.332 -0.395 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.373 0 CA-C-O 120.918 0.39 . . . . 0.0 111.018 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 4.5 ptmt -94.39 51.13 1.42 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.839 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 16.0 pttt 46.15 37.47 3.95 Favored 'General case' 0 CA--C 1.516 -0.365 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.524 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 44.7 t -65.21 -14.16 16.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 N-CA-C 107.881 -1.155 . . . . 0.0 107.881 176.528 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 55.8 t80 -44.51 -28.2 0.55 Allowed 'General case' 0 N--CA 1.45 -0.463 0 CA-C-N 114.103 -1.408 . . . . 0.0 111.773 178.89 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 3.8 tmtm? -67.16 -41.0 86.74 Favored 'General case' 0 C--N 1.315 -0.929 0 CA-C-N 115.331 -0.85 . . . . 0.0 110.152 179.459 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 1.6 mmm180 -61.8 -33.12 73.55 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.024 179.148 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.8 tp -64.4 -39.22 93.43 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.283 179.511 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -66.0 -30.44 70.99 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.154 179.285 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 24.3 tttt -69.45 -39.43 77.76 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.086 179.349 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 1.7 mp -66.57 -36.18 82.02 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.131 179.342 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -68.62 -29.8 68.38 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.081 -0.509 . . . . 0.0 109.991 179.191 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -68.61 -32.89 73.09 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.183 179.306 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 6.5 tttt -68.26 -41.61 80.82 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.206 179.397 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 39.9 mt -67.55 -30.53 49.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.135 179.149 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -70.17 -30.31 67.42 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.144 179.206 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 -70.64 -31.61 68.62 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.602 179.656 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 7.4 t90 -85.01 -30.47 24.15 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.907 179.816 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 20.1 mttt -59.77 -39.42 84.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.897 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.361 0 CA-C-N 116.308 -0.406 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.34 0 CA-C-O 120.842 0.353 . . . . 0.0 111.042 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -94.33 47.15 1.18 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.758 179.939 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 48.4 tttp -146.37 38.68 1.06 Allowed 'General case' 0 CA--C 1.514 -0.418 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.212 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 20.0 t -62.88 -16.54 17.49 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 N-CA-C 107.802 -1.184 . . . . 0.0 107.802 176.427 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . 0.404 ' HA ' HD12 ' A' ' 8' ' ' LEU . 42.0 t80 -44.32 -28.47 0.54 Allowed 'General case' 0 N--CA 1.449 -0.486 0 CA-C-N 114.001 -1.454 . . . . 0.0 111.588 178.705 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -65.53 -42.6 91.79 Favored 'General case' 0 C--N 1.315 -0.892 0 CA-C-N 115.267 -0.879 . . . . 0.0 110.204 179.508 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 6.4 mtp180 -61.17 -34.55 75.21 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.105 179.199 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.404 HD12 ' HA ' ' A' ' 5' ' ' PHE . 0.8 OUTLIER -64.07 -39.48 94.16 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.125 179.45 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -67.14 -30.31 70.26 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.041 179.203 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 10.8 mttp -70.0 -38.06 75.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.059 179.277 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -67.04 -34.87 78.64 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.133 179.408 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -69.05 -32.38 71.82 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.068 179.21 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -67.47 -32.15 72.78 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.046 179.251 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.34 -34.18 77.4 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.275 179.433 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 35.0 mt -66.68 -32.34 57.6 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.404 179.469 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 2.3 t-105 -68.37 -31.32 70.62 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.042 -0.527 . . . . 0.0 110.308 179.434 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 3.2 t-20 -70.75 -31.06 67.75 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.584 179.694 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -77.28 -30.67 54.36 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.802 179.861 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 24.9 tttt -71.36 84.04 0.79 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.925 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.344 0 CA-C-N 116.327 -0.397 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.328 0 CA-C-O 120.844 0.354 . . . . 0.0 111.035 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 9.9 ptmt -100.05 54.01 0.91 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.788 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER 46.37 38.15 4.95 Favored 'General case' 0 CA--C 1.516 -0.362 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.514 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 40.5 t -64.8 -14.33 16.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 N-CA-C 107.832 -1.173 . . . . 0.0 107.832 176.495 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 24.9 t80 -43.61 -28.66 0.41 Allowed 'General case' 0 N--CA 1.45 -0.468 0 CA-C-N 114.144 -1.389 . . . . 0.0 111.808 178.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.413 ' O ' ' CG ' ' A' ' 9' ' ' GLU . 0.0 OUTLIER -67.33 -42.32 83.78 Favored 'General case' 0 C--N 1.315 -0.916 0 CA-C-N 115.332 -0.849 . . . . 0.0 110.247 179.582 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.46 -29.04 70.38 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.234 -0.439 . . . . 0.0 109.932 179.06 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -66.21 -41.16 90.52 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.505 179.657 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.413 ' CG ' ' O ' ' A' ' 6' ' ' LYS . 0.1 OUTLIER -65.97 -27.74 68.38 Favored 'General case' 0 C--N 1.332 -0.186 0 C-N-CA 120.776 -0.369 . . . . 0.0 110.167 179.492 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.409 ' N ' ' HG3' ' A' ' 9' ' ' GLU . 0.0 OUTLIER -70.25 -41.02 74.08 Favored 'General case' 0 N--CA 1.454 -0.231 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.054 179.095 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 74.8 mt -63.09 -31.37 72.5 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.093 179.217 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 71.2 t80 -66.14 -33.28 75.41 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.202 179.398 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 12.9 t -65.27 -35.1 79.98 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.3 179.448 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 22.9 mtpt -65.69 -31.88 73.14 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.378 179.432 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 36.1 mt -67.95 -33.81 63.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.526 179.436 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . 0.402 ' CE3' ' HA ' ' A' ' 16' ' ' TRP . 0.0 OUTLIER -68.93 -32.36 71.92 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.303 179.501 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 1.1 t30 -72.16 -28.84 63.49 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.449 179.507 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -78.45 -30.47 47.51 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.754 179.833 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.13 146.32 29.66 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.895 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.332 -0.394 . . . . 0.0 . . . . . . . . . . 0 0 . 1 stop_ save_