data_2l36_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 2l36 _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 ' 2' ' ' ILE . . . . . . . . . . . . . 2.2 mp . . . . . 0 C--O 1.23 0.071 0 CA-C-O 120.901 0.381 . . . . 72.44 111.182 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -56.79 -17.73 22.4 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.736 -0.745 . . . . 64.32 112.454 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 28.2 pttt -81.26 -36.0 30.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.747 0.308 . . . . 74.44 110.863 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -81.07 -40.29 24.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.258 -0.428 . . . . 74.21 111.127 179.785 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -65.95 -36.08 82.35 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.185 -0.461 . . . . 75.33 110.905 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 13.9 mttt -66.05 -40.21 90.76 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.232 -0.44 . . . . 73.2 110.904 179.804 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 1.5 pttt -80.26 -27.69 38.55 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.238 -0.437 . . . . 74.4 110.894 179.847 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.86 -20.27 56.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.259 -0.428 . . . . 74.43 111.106 179.823 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 10.4 ptmm? -51.91 -33.34 36.6 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.221 -0.445 . . . . 72.45 110.86 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.207 -0.451 . . . . 64.1 110.855 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.436 HG23 ' N ' ' A' ' 14' ' ' GLY . 0.0 OUTLIER . . . . . 0 N--CA 1.458 -0.068 0 CA-C-O 120.866 0.365 . . . . 74.45 111.096 . . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . 0.436 ' N ' HG23 ' A' ' 13' ' ' ILE . . . -55.46 -20.83 24.97 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.794 -0.717 . . . . 70.31 112.48 179.934 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -82.32 -20.59 37.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.807 0.337 . . . . 64.31 111.109 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 21.6 t -68.13 -12.41 15.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.226 -0.443 . . . . 72.14 111.095 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 51.6 tp -117.18 -24.65 7.41 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.189 -0.46 . . . . 74.32 110.929 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 6.2 ttmt -66.03 -45.66 80.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.154 -0.475 . . . . 74.1 110.888 179.848 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 13.1 m -86.89 -30.99 5.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.24 -0.437 . . . . 74.03 111.108 179.876 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -53.85 -22.88 10.74 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.212 -0.449 . . . . 73.22 110.884 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.5 m -72.09 -29.95 64.61 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.191 -0.459 . . . . 63.31 111.134 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 6.5 m -56.39 -24.48 44.92 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.217 -0.447 . . . . 75.0 111.146 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -120.0 -12.67 6.33 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.721 -0.752 . . . . 60.44 112.476 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 2.8 tt . . . . . 0 C--N 1.328 -0.356 0 CA-C-O 120.803 0.335 . . . . 64.22 110.917 -179.941 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 2.3 mp . . . . . 0 N--CA 1.457 -0.095 0 CA-C-O 120.896 0.379 . . . . 71.14 111.134 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -56.73 -17.78 22.17 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.697 -0.763 . . . . 74.41 112.5 179.89 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 9.3 pttp -81.17 -36.08 30.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.799 0.333 . . . . 71.14 110.902 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -81.11 -40.08 24.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.193 -0.458 . . . . 62.12 111.064 179.859 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 10.1 tt -65.65 -37.17 85.79 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.247 -0.433 . . . . 74.24 110.914 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 6.1 ttmm -64.98 -40.34 94.82 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.17 -0.468 . . . . 74.33 110.866 179.853 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 2.1 pttp -80.37 -26.64 38.52 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.233 -0.439 . . . . 73.33 110.936 179.867 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.85 -20.58 57.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.229 -0.441 . . . . 72.44 111.129 179.801 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 1.8 ptmm? -51.81 -32.91 33.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 73.2 110.889 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 10.6 mtmt . . . . . 0 C--N 1.328 -0.326 0 CA-C-N 116.162 -0.472 . . . . 74.22 110.917 179.854 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.437 HG23 ' N ' ' A' ' 14' ' ' GLY . 0.0 OUTLIER . . . . . 0 C--O 1.23 0.072 0 CA-C-O 120.837 0.351 . . . . 71.12 111.118 . . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . 0.437 ' N ' HG23 ' A' ' 13' ' ' ILE . . . -54.56 -21.59 21.66 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.688 -0.767 . . . . 72.11 112.478 179.924 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -77.16 -24.17 51.55 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.843 0.354 . . . . 61.32 111.106 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 73.0 t -60.04 -37.03 71.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.198 -0.455 . . . . 71.01 111.134 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -92.46 -20.58 20.85 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.177 -0.465 . . . . 73.0 110.89 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 13.1 ttpt -66.72 -46.71 74.65 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.189 -0.46 . . . . 75.12 110.891 179.859 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 11.8 m -83.59 -32.75 9.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.261 -0.427 . . . . 75.11 111.14 179.842 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 6.1 mt -53.92 -23.15 11.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.152 -0.476 . . . . 64.1 110.901 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.7 m -73.41 -28.78 62.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.234 -0.439 . . . . 70.32 111.152 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 5.1 m -57.08 -25.98 59.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 71.23 111.161 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -120.07 -10.35 7.54 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.744 -0.741 . . . . 65.31 112.456 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.329 -0.306 0 CA-C-O 120.846 0.355 . . . . 75.53 110.929 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . 0.404 ' O ' HG23 ' A' ' 2' ' ' ILE . 42.0 mm . . . . . 0 N--CA 1.458 -0.069 0 CA-C-O 120.828 0.347 . . . . 74.4 111.092 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -56.57 -17.92 21.62 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.739 -0.744 . . . . 65.33 112.487 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.46 -35.71 30.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.743 0.306 . . . . 75.22 110.869 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -81.19 -40.33 24.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.453 . . . . 51.15 111.106 179.849 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -65.94 -36.01 82.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.168 -0.469 . . . . 74.42 110.934 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 4.5 ttpp -66.07 -40.24 90.7 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.192 -0.458 . . . . 75.12 110.878 179.803 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 8.5 ptmt -80.29 -27.8 38.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.187 -0.461 . . . . 74.31 110.891 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.83 -20.23 55.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.212 -0.449 . . . . 74.44 111.114 179.818 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 20.9 ptmt -51.58 -36.47 45.54 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.187 -0.461 . . . . 74.31 110.896 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.253 -0.43 . . . . 74.41 110.867 179.897 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.438 HG23 ' N ' ' A' ' 14' ' ' GLY . 0.0 OUTLIER . . . . . 0 N--CA 1.457 -0.097 0 CA-C-O 120.896 0.379 . . . . 75.45 111.174 . . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . 0.438 ' N ' HG23 ' A' ' 13' ' ' ILE . . . -55.3 -21.04 24.79 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.709 -0.757 . . . . 65.31 112.471 179.927 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -80.88 -21.48 40.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.836 0.351 . . . . 72.22 111.105 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 57.5 t -64.89 -21.87 30.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.202 -0.454 . . . . 72.13 111.127 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -106.83 -24.65 12.0 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.161 -0.472 . . . . 75.33 110.868 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 14.0 ttpt -64.97 -46.03 83.2 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.244 -0.434 . . . . 74.43 110.882 179.844 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 11.6 m -84.0 -32.6 8.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.247 -0.433 . . . . 74.41 111.167 179.851 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 3.6 mt -53.4 -23.72 10.48 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.181 -0.463 . . . . 75.14 110.896 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.5 m -72.32 -29.76 64.13 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.222 -0.444 . . . . 74.3 111.114 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 17.2 m -56.72 -24.68 51.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.282 -0.417 . . . . 75.34 111.147 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -120.04 -12.1 6.6 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.752 -0.737 . . . . 71.25 112.496 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 4.7 tp . . . . . 0 C--N 1.329 -0.322 0 CA-C-O 120.833 0.349 . . . . 74.3 110.917 -179.923 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 41.3 mm . . . . . 0 N--CA 1.458 -0.061 0 CA-C-O 120.888 0.375 . . . . 74.43 111.139 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -56.56 -18.02 21.87 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.737 -0.744 . . . . 71.5 112.486 179.901 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 14.0 ptmt -81.61 -36.91 28.4 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.8 0.333 . . . . 73.43 110.951 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -81.42 -34.28 31.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.153 -0.476 . . . . 72.43 111.053 179.816 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 6.5 tt -72.62 -40.23 66.63 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.266 -0.424 . . . . 72.01 110.898 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 4.2 mtmp? -73.89 -35.55 64.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.226 -0.443 . . . . 74.45 110.915 179.828 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.56 -23.83 39.65 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.198 -0.455 . . . . 71.2 110.907 179.845 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.9 -23.58 63.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.221 -0.445 . . . . 74.5 111.098 179.807 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 15.2 ptmt -52.04 -32.64 35.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.253 -0.43 . . . . 73.15 110.888 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 6.1 ttpp . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.23 -0.441 . . . . 74.1 110.849 179.894 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.435 HG23 ' N ' ' A' ' 14' ' ' GLY . 0.0 OUTLIER . . . . . 0 N--CA 1.458 -0.07 0 CA-C-O 120.901 0.382 . . . . 75.25 111.168 . . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . 0.435 ' N ' HG23 ' A' ' 13' ' ' ILE . . . -55.28 -20.89 23.94 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.718 -0.753 . . . . 73.23 112.51 179.889 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -77.88 -20.62 52.63 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.83 0.348 . . . . 73.03 111.095 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 22.0 t -67.81 -12.6 15.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.449 . . . . 75.33 111.095 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -117.03 -24.36 7.6 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.217 -0.447 . . . . 75.33 110.912 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 3.9 ttmt -66.22 -45.61 80.11 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.179 -0.464 . . . . 74.52 110.889 179.88 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 12.1 m -87.08 -31.05 5.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.226 -0.443 . . . . 74.4 111.142 179.851 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -52.86 -23.73 7.63 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.175 -0.466 . . . . 73.41 110.956 179.91 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.8 m -66.13 -28.49 68.83 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.2 -0.454 . . . . 74.11 111.152 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 78.5 p -51.59 -35.7 42.5 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.241 -0.436 . . . . 64.35 111.124 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -108.64 -13.94 17.22 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.741 -0.742 . . . . 65.13 112.495 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 8.1 tt . . . . . 0 C--N 1.328 -0.359 0 CA-C-O 120.832 0.349 . . . . 63.43 110.899 -179.906 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 41.4 mm . . . . . 0 C--O 1.23 0.05 0 CA-C-O 120.855 0.36 . . . . 71.11 111.146 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -56.53 -18.17 22.18 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.712 -0.756 . . . . 70.13 112.531 179.886 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 12.9 ptmt -81.93 -35.29 29.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.775 0.321 . . . . 72.02 110.868 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -80.38 -39.95 27.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.237 -0.438 . . . . 75.21 111.115 179.847 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -71.56 -20.33 62.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.224 -0.444 . . . . 71.44 110.932 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -80.13 -30.95 39.11 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 74.42 110.899 179.849 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -59.89 -25.57 65.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 74.31 110.896 179.91 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.04 -21.97 62.07 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.185 -0.461 . . . . 71.24 111.093 179.838 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -53.14 -28.66 27.11 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.272 -0.422 . . . . 74.41 110.862 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 116.218 -0.446 . . . . 73.31 110.836 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.422 HG23 ' N ' ' A' ' 14' ' ' GLY . 0.0 OUTLIER . . . . . 0 N--CA 1.458 -0.055 0 CA-C-O 120.848 0.356 . . . . 74.34 111.164 . . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . 0.422 ' N ' HG23 ' A' ' 13' ' ' ILE . . . -54.46 -21.94 22.12 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.74 -0.743 . . . . 62.0 112.509 179.907 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -74.32 -22.26 59.34 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.795 0.331 . . . . 44.11 111.067 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 22.0 t -66.88 -13.32 16.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.454 . . . . 75.3 111.127 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -114.04 -25.48 8.53 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.183 -0.462 . . . . 73.35 110.905 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 7.2 mmpt? -66.22 -40.57 90.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.195 -0.457 . . . . 63.23 110.895 179.837 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 10.6 m -90.03 -31.37 5.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.261 -0.427 . . . . 65.3 111.16 179.877 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 2.0 mt -53.64 -23.46 11.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.156 -0.474 . . . . 75.54 110.868 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.5 m -71.44 -29.78 65.27 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.214 -0.448 . . . . 73.31 111.135 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 39.8 m -56.37 -24.57 45.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.252 -0.431 . . . . 75.25 111.148 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -119.99 -12.75 6.3 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.712 -0.756 . . . . 65.14 112.484 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.328 -0.355 0 CA-C-O 120.823 0.344 . . . . 74.5 110.912 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . 0.411 ' O ' HG23 ' A' ' 2' ' ' ILE . 44.9 mm . . . . . 0 N--CA 1.458 -0.067 0 CA-C-O 120.883 0.373 . . . . 75.25 111.168 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -56.47 -17.92 20.92 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.731 -0.747 . . . . 74.14 112.478 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.34 -37.29 28.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.813 0.34 . . . . 71.35 110.89 -179.924 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -80.47 -38.95 28.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 71.04 111.12 179.795 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -72.78 -19.89 61.27 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.212 -0.449 . . . . 72.15 110.94 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 37.8 ttmt -80.0 -30.77 39.68 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.183 -0.462 . . . . 71.21 110.916 179.795 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 15.6 pttt -59.97 -25.97 65.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.225 -0.443 . . . . 74.3 110.892 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.01 -24.02 64.14 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.239 -0.437 . . . . 75.31 111.128 179.801 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 9.7 ptmt -55.36 -31.86 62.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.2 -0.454 . . . . 74.31 110.865 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 2.8 tmpt? . . . . . 0 C--N 1.328 -0.348 0 CA-C-N 116.251 -0.431 . . . . 75.14 110.872 179.867 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.424 HG23 ' N ' ' A' ' 14' ' ' GLY . 0.0 OUTLIER . . . . . 0 N--CA 1.458 -0.066 0 CA-C-O 120.877 0.37 . . . . 71.23 111.148 . . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . 0.424 ' N ' HG23 ' A' ' 13' ' ' ILE . . . -55.63 -20.77 25.84 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.696 -0.764 . . . . 73.11 112.474 179.92 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -82.4 -20.42 37.15 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.799 0.333 . . . . 64.34 111.071 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 21.6 t -67.99 -12.41 15.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.451 . . . . 73.44 111.157 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 38.7 tp -117.38 -24.8 7.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.154 -0.475 . . . . 71.44 110.91 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 13.9 ttpt -65.59 -46.05 80.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.148 -0.478 . . . . 71.53 110.906 179.824 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 12.5 m -86.76 -31.09 6.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.227 -0.442 . . . . 75.11 111.142 179.836 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -52.75 -23.75 7.41 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.217 -0.447 . . . . 72.22 110.898 179.932 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.8 m -66.14 -28.63 68.94 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.19 -0.459 . . . . 74.11 111.12 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 77.6 p -51.59 -35.62 42.24 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.23 -0.441 . . . . 72.22 111.176 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -108.49 -14.09 17.07 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.746 -0.74 . . . . 71.21 112.476 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.328 -0.335 0 CA-C-O 120.852 0.358 . . . . 75.1 110.886 -179.871 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 40.6 mt . . . . . 0 N--CA 1.458 -0.063 0 CA-C-O 120.863 0.363 . . . . 74.14 111.111 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -56.67 -17.86 22.04 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.71 -0.757 . . . . 43.32 112.533 179.86 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 1.5 pttp -81.23 -36.14 30.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.763 0.316 . . . . 72.3 110.857 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -80.89 -40.17 25.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.251 -0.431 . . . . 62.54 111.146 179.795 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 4.2 tt -68.71 -27.24 65.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 75.55 110.906 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 11.2 ttpp -70.55 -40.11 73.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.158 -0.474 . . . . 64.54 110.898 179.836 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 1.6 pttp -80.17 -21.55 42.93 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.215 -0.448 . . . . 74.42 110.916 179.88 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.35 -22.2 62.98 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.187 -0.46 . . . . 71.31 111.084 179.872 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.29 -28.48 28.29 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.266 -0.424 . . . . 74.42 110.884 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.251 -0.431 . . . . 75.43 110.892 179.9 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.432 HG23 ' N ' ' A' ' 14' ' ' GLY . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.085 0 CA-C-O 120.812 0.339 . . . . 73.34 111.12 . . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . 0.432 ' N ' HG23 ' A' ' 13' ' ' ILE . . . -54.53 -21.88 22.42 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.699 -0.762 . . . . 70.25 112.53 179.892 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -74.45 -22.22 59.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.77 0.319 . . . . 75.43 111.06 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 22.1 t -66.88 -13.39 16.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.238 -0.437 . . . . 63.54 111.13 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -113.94 -25.47 8.57 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.199 -0.455 . . . . 74.33 110.943 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -66.21 -40.67 90.49 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 71.33 110.903 179.838 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 10.8 m -89.91 -31.43 5.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.203 -0.453 . . . . 54.33 111.169 179.884 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 2.0 mt -53.55 -23.49 10.81 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.123 -0.49 . . . . 73.51 110.929 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.5 m -71.34 -29.8 65.42 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.175 -0.466 . . . . 71.04 111.209 179.912 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 4.4 m -56.28 -24.72 44.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.201 -0.454 . . . . 72.11 111.112 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -120.0 -12.64 6.35 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.746 -0.74 . . . . 53.13 112.493 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 7.8 tp . . . . . 0 C--N 1.328 -0.344 0 CA-C-O 120.823 0.344 . . . . 75.43 110.908 -179.923 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . 0.403 HG23 ' O ' ' A' ' 2' ' ' ILE . 2.6 mp . . . . . 0 C--O 1.23 0.07 0 CA-C-O 120.925 0.393 . . . . 70.54 111.138 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -56.27 -17.96 19.65 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.736 -0.745 . . . . 74.25 112.469 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -81.31 -38.63 26.44 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.766 0.317 . . . . 75.54 110.882 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -81.2 -33.05 33.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.239 -0.437 . . . . 71.32 111.122 179.811 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 6.4 tt -73.29 -40.35 64.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.454 . . . . 74.45 110.904 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 8.0 mmtt -73.77 -35.31 64.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 72.53 110.901 179.824 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.57 -24.46 39.19 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.208 -0.451 . . . . 74.54 110.903 179.882 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.92 -21.4 61.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 74.33 111.117 179.805 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -52.19 -32.47 36.37 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.196 -0.456 . . . . 75.12 110.855 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.262 -0.426 . . . . 72.43 110.877 179.885 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.438 HG23 ' N ' ' A' ' 14' ' ' GLY . 0.0 OUTLIER . . . . . 0 N--CA 1.457 -0.084 0 CA-C-O 120.921 0.391 . . . . 74.41 111.161 . . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . 0.438 ' N ' HG23 ' A' ' 13' ' ' ILE . . . -55.3 -20.98 24.55 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.752 -0.737 . . . . 71.23 112.471 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -80.84 -21.66 40.6 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.849 0.357 . . . . 53.32 111.098 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 25.2 t -67.24 -21.51 28.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.185 -0.461 . . . . 71.31 111.143 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -107.83 -19.44 13.52 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.164 -0.471 . . . . 73.23 110.928 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 3.8 ttpp -71.0 -37.21 72.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.45 . . . . 74.32 110.908 179.818 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 9.9 m -93.64 -31.17 4.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.239 -0.437 . . . . 73.2 111.126 179.858 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 4.2 mt -53.84 -23.2 11.62 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.15 -0.477 . . . . 75.23 110.899 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.5 m -72.79 -29.88 63.64 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.174 -0.466 . . . . 72.13 111.145 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 5.9 m -56.7 -24.65 50.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.26 -0.427 . . . . 75.32 111.169 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -119.95 -12.09 6.66 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.722 -0.751 . . . . 52.14 112.457 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.31 0 CA-C-O 120.86 0.362 . . . . 75.21 110.922 -179.901 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 2.2 mp . . . . . 0 N--CA 1.458 -0.048 0 CA-C-O 120.872 0.368 . . . . 70.01 111.144 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -56.45 -18.21 21.78 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.755 -0.736 . . . . 64.32 112.484 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.0 -35.41 28.92 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.759 0.314 . . . . 74.25 110.867 -179.925 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -80.42 -40.09 27.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.451 . . . . 75.32 111.078 179.809 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -70.89 -21.6 62.37 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.216 -0.447 . . . . 75.22 110.951 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 8.1 mttt -80.14 -28.98 38.79 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.188 -0.46 . . . . 74.11 110.883 179.827 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 1.1 pttp -59.81 -25.46 64.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.244 -0.435 . . . . 73.31 110.916 179.866 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.01 -25.03 64.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.239 -0.437 . . . . 74.11 111.109 179.833 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.84 -33.42 36.09 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.219 -0.446 . . . . 74.44 110.923 179.914 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 5.0 tmmt? . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.21 -0.45 . . . . 74.52 110.887 179.894 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.429 HG23 ' N ' ' A' ' 14' ' ' GLY . 0.0 OUTLIER . . . . . 0 C--O 1.23 0.072 0 CA-C-O 120.879 0.371 . . . . 72.23 111.083 . . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . 0.429 ' N ' HG23 ' A' ' 13' ' ' ILE . . . -55.64 -20.73 25.76 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.728 -0.749 . . . . 73.03 112.49 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -83.4 -19.75 35.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.809 0.338 . . . . 72.4 111.081 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 22.8 t -71.19 -14.36 17.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.212 -0.449 . . . . 74.55 111.173 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -118.02 -15.93 9.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.146 -0.479 . . . . 74.45 110.961 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 3.8 ttpp -74.17 -44.15 54.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 74.4 110.925 179.792 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 11.7 m -89.56 -30.57 5.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.455 . . . . 62.33 111.134 179.865 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -53.62 -23.29 10.61 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.168 -0.469 . . . . 72.12 110.894 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.4 m -69.92 -30.06 67.38 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.22 -0.445 . . . . 72.44 111.175 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 5.0 m -54.61 -26.51 33.2 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.218 -0.446 . . . . 74.43 111.114 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -114.49 -16.23 7.73 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.786 -0.721 . . . . 74.42 112.518 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 1.6 mm? . . . . . 0 C--N 1.328 -0.335 0 CA-C-O 120.86 0.362 . . . . 74.13 110.892 -179.915 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 2.8 mt . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.859 0.361 . . . . 74.51 111.153 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -56.66 -17.96 22.31 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.76 -0.733 . . . . 74.13 112.466 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.31 -35.87 30.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.809 0.338 . . . . 75.54 110.883 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -81.17 -40.24 24.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.175 -0.466 . . . . 73.35 111.062 179.9 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -65.29 -35.22 80.36 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.239 -0.437 . . . . 74.13 110.89 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 1.3 mmtp -64.81 -40.49 95.3 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.213 -0.449 . . . . 65.12 110.898 179.82 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 11.8 pttp -80.51 -28.21 37.49 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.225 -0.443 . . . . 75.03 110.937 179.861 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.86 -28.36 67.46 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.212 -0.449 . . . . 74.12 111.134 179.807 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 18.9 ptmt -51.8 -33.81 37.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 71.31 110.891 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 4.0 ttpt . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.253 -0.43 . . . . 73.55 110.914 179.844 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.437 HG23 ' N ' ' A' ' 14' ' ' GLY . 0.0 OUTLIER . . . . . 0 C--O 1.23 0.078 0 CA-C-O 120.831 0.348 . . . . 73.3 111.126 . . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . 0.437 ' N ' HG23 ' A' ' 13' ' ' ILE . . . -53.17 -22.23 13.44 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.775 -0.726 . . . . 72.54 112.504 179.896 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -70.0 -26.52 64.11 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.828 0.346 . . . . 64.42 111.097 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 4.7 p -57.92 -22.93 19.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.231 -0.441 . . . . 75.5 111.137 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -107.22 -24.4 11.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 75.21 110.87 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.4 mmpt? -66.72 -40.33 88.36 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.234 -0.439 . . . . 74.03 110.88 179.862 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 11.7 m -89.47 -32.12 5.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.215 -0.448 . . . . 74.32 111.09 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 3.8 mt -53.73 -23.2 11.01 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.196 -0.456 . . . . 75.51 110.963 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.6 m -72.55 -29.36 63.49 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.464 . . . . 72.43 111.154 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 10.0 m -56.69 -25.14 53.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 63.32 111.201 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -119.99 -11.69 6.84 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.778 -0.725 . . . . 74.04 112.522 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 20.1 tp . . . . . 0 C--N 1.328 -0.327 0 CA-C-O 120.838 0.351 . . . . 72.11 110.919 -179.936 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 2.5 mp . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.858 0.361 . . . . 73.3 111.102 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -56.51 -18.16 22.03 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.686 -0.769 . . . . 70.2 112.487 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -81.72 -35.37 29.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.752 0.31 . . . . 73.04 110.901 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -80.43 -40.08 27.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.224 -0.444 . . . . 73.11 111.11 179.807 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -71.03 -21.23 62.3 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.252 -0.431 . . . . 74.41 110.959 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 9.6 mttt -80.08 -30.41 39.24 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 74.44 110.928 179.813 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 12.3 pttt -59.84 -23.84 63.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 63.31 110.894 179.851 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -71.24 -33.71 70.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.244 -0.435 . . . . 72.34 111.091 179.8 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 11.9 mttt -59.6 -52.48 65.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.223 -0.444 . . . . 75.33 110.879 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.228 -0.442 . . . . 73.23 110.867 179.905 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.438 HG23 ' N ' ' A' ' 14' ' ' GLY . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.847 0.356 . . . . 74.01 111.141 . . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . 0.438 ' N ' HG23 ' A' ' 13' ' ' ILE . . . -55.54 -20.81 25.45 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.761 -0.733 . . . . 75.01 112.444 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -82.09 -20.71 37.6 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.811 0.338 . . . . 52.33 111.055 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 21.6 t -67.88 -12.51 15.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.242 -0.436 . . . . 74.23 111.119 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -116.75 -25.26 7.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.469 . . . . 72.32 110.939 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 30.7 ttmt -65.18 -45.58 84.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 73.03 110.901 179.829 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 11.9 m -86.43 -31.59 6.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.452 . . . . 75.32 111.119 179.921 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 1.2 mt -51.84 -24.72 6.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 75.14 110.876 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.4 m -64.63 -30.54 71.56 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.226 -0.443 . . . . 71.01 111.159 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 59.9 p -51.51 -36.23 43.86 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.21 -0.45 . . . . 75.24 111.159 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -105.91 -15.2 19.05 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.719 -0.753 . . . . 65.31 112.466 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 7.3 tt . . . . . 0 C--N 1.328 -0.347 0 CA-C-O 120.848 0.356 . . . . 72.33 110.916 -179.916 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . 0.403 ' O ' HG23 ' A' ' 2' ' ' ILE . 45.2 mm . . . . . 0 N--CA 1.457 -0.093 0 CA-C-O 120.861 0.363 . . . . 72.14 111.119 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -56.48 -17.83 20.62 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.746 -0.74 . . . . 72.13 112.509 179.906 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.38 -37.37 28.32 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.804 0.335 . . . . 74.23 110.902 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -80.47 -38.75 29.37 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.222 -0.445 . . . . 72.41 111.094 179.824 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -73.05 -19.83 61.1 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.239 -0.437 . . . . 73.34 110.9 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 30.4 ttpt -79.95 -30.92 39.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.165 -0.471 . . . . 73.35 110.872 179.873 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 5.6 pttt -59.94 -25.8 65.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.254 -0.43 . . . . 75.55 110.885 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.96 -23.04 63.26 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.227 -0.442 . . . . 73.31 111.117 179.81 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.8 -34.13 38.63 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.181 -0.463 . . . . 73.32 110.921 179.933 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 6.1 ttpt . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.186 -0.461 . . . . 74.31 110.865 179.926 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.436 HG23 ' N ' ' A' ' 14' ' ' GLY . 0.0 OUTLIER . . . . . 0 C--O 1.23 0.042 0 CA-C-O 120.904 0.383 . . . . 72.1 111.124 . . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . 0.436 ' N ' HG23 ' A' ' 13' ' ' ILE . . . -53.05 -24.64 21.54 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.768 -0.73 . . . . 72.42 112.516 179.938 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -69.36 -24.1 63.85 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.868 0.366 . . . . 75.43 111.116 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 21.5 t -66.99 -12.03 14.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 73.41 111.122 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 27.2 tp -112.63 -26.0 8.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.137 -0.483 . . . . 73.02 110.906 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.2 mtmt -64.15 -46.11 85.53 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.174 -0.466 . . . . 73.55 110.933 179.802 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 11.7 m -84.81 -32.08 7.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.207 -0.452 . . . . 73.45 111.093 179.891 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -53.83 -23.11 11.26 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.174 -0.466 . . . . 73.24 110.919 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.6 m -71.95 -29.25 64.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.466 . . . . 73.15 111.139 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 61.1 m -56.56 -25.15 51.36 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.171 -0.468 . . . . 75.31 111.149 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -120.04 -11.97 6.67 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.74 -0.743 . . . . 74.45 112.481 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.328 -0.339 0 CA-C-O 120.826 0.346 . . . . 75.21 110.922 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . 0.41 ' O ' HG23 ' A' ' 2' ' ' ILE . 41.2 mm . . . . . 0 N--CA 1.457 -0.093 0 CA-C-O 120.927 0.394 . . . . 75.42 111.145 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -56.59 -17.99 21.93 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.761 -0.733 . . . . 74.1 112.445 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.3 -35.95 30.4 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.798 0.333 . . . . 73.03 110.917 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -81.15 -40.29 24.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.219 -0.446 . . . . 60.4 111.093 179.812 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 9.4 tt -65.75 -36.57 83.93 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.267 -0.424 . . . . 72.01 110.87 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 1.8 tpmt? -65.56 -40.29 92.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.224 -0.443 . . . . 71.14 110.871 179.887 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.3 -26.56 38.8 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.205 -0.452 . . . . 75.42 110.922 179.874 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.94 -20.79 59.45 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.232 -0.44 . . . . 71.31 111.088 179.819 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 17.1 ptmt -51.87 -32.98 34.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.209 -0.451 . . . . 64.12 110.883 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 6.1 ttpp . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.233 -0.44 . . . . 75.33 110.891 179.894 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.439 HG23 ' N ' ' A' ' 14' ' ' GLY . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.805 0.336 . . . . 75.5 111.125 . . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . 0.439 ' N ' HG23 ' A' ' 13' ' ' ILE . . . -55.22 -21.06 24.35 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.749 -0.738 . . . . 73.12 112.475 179.909 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -80.65 -21.69 41.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.886 0.375 . . . . 75.43 111.131 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 26.2 t -67.44 -20.86 27.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.159 -0.473 . . . . 73.24 111.126 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -108.56 -19.31 13.49 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.192 -0.458 . . . . 75.14 110.914 179.933 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 3.7 ttpp -70.9 -37.98 72.99 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.219 -0.446 . . . . 72.41 110.91 179.823 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 8.7 m -93.21 -31.27 4.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.24 -0.436 . . . . 74.35 111.147 179.859 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 3.8 mt -52.99 -23.76 8.01 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.134 -0.485 . . . . 64.04 110.924 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 2.0 m -66.18 -27.69 68.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 75.34 111.136 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 6.1 t -52.54 -32.56 41.29 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.194 -0.457 . . . . 71.3 111.131 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -109.86 -15.07 12.42 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.765 -0.731 . . . . 64.14 112.527 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 2.9 tp . . . . . 0 C--N 1.329 -0.3 0 CA-C-O 120.873 0.368 . . . . 63.44 110.898 -179.925 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . 0.418 HG23 ' O ' ' A' ' 2' ' ' ILE . 45.7 mm . . . . . 0 C--O 1.23 0.066 0 CA-C-O 120.837 0.351 . . . . 73.41 111.136 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -56.54 -17.91 21.35 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.72 -0.752 . . . . 71.23 112.421 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.29 -37.25 28.73 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.79 0.329 . . . . 73.32 110.888 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -80.44 -39.25 28.56 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.225 -0.443 . . . . 64.33 111.114 179.831 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -72.15 -19.98 61.68 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.229 -0.442 . . . . 74.01 110.948 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 3.5 ttmt -80.14 -30.89 39.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.183 -0.462 . . . . 74.14 110.91 179.841 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 15.8 pttt -59.84 -25.68 65.2 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.218 -0.446 . . . . 75.14 110.927 179.825 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.87 -22.43 62.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.214 -0.448 . . . . 44.12 111.131 179.806 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.09 -28.73 26.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.211 -0.45 . . . . 72.22 110.895 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 5.2 mtmt . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.213 -0.449 . . . . 72.2 110.933 179.863 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.426 HG23 ' N ' ' A' ' 14' ' ' GLY . 0.0 OUTLIER . . . . . 0 N--CA 1.457 -0.11 0 CA-C-O 120.891 0.377 . . . . 74.22 111.15 . . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . 0.426 ' N ' HG23 ' A' ' 13' ' ' ILE . . . -55.5 -20.77 24.94 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.708 -0.758 . . . . 74.13 112.474 179.926 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -82.31 -20.7 36.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.811 0.339 . . . . 70.14 111.079 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 21.6 t -68.76 -12.53 16.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.199 -0.455 . . . . 73.31 111.141 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -117.36 -22.69 8.12 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.18 -0.464 . . . . 74.11 110.914 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 15.6 tppt? -68.04 -45.01 75.13 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.224 -0.444 . . . . 73.51 110.882 179.838 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 12.7 m -87.67 -30.79 5.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 71.54 111.09 179.884 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -53.96 -22.97 11.52 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.231 -0.44 . . . . 73.31 110.912 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.5 m -72.09 -29.84 64.5 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.204 -0.453 . . . . 63.35 111.17 179.903 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 15.4 m -56.46 -24.6 46.71 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.216 -0.447 . . . . 64.43 111.134 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -120.01 -12.48 6.43 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.773 -0.727 . . . . 72.45 112.467 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 6.4 tt . . . . . 0 C--N 1.328 -0.335 0 CA-C-O 120.794 0.33 . . . . 72.44 110.969 -179.954 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 41.2 mm . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.842 0.353 . . . . 75.41 111.141 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -56.38 -18.37 21.79 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.712 -0.756 . . . . 71.31 112.494 179.895 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -82.24 -36.21 27.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.762 0.315 . . . . 73.22 110.904 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -80.63 -34.72 34.76 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.257 -0.429 . . . . 61.52 111.076 179.827 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 10.6 tp -74.51 -29.92 61.6 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.215 -0.448 . . . . 72.53 110.946 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -79.27 -19.67 49.97 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.157 -0.474 . . . . 73.22 110.953 179.789 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 27.3 pttt -59.67 -26.07 65.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.454 . . . . 74.34 110.887 179.867 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.95 -21.93 61.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.241 -0.436 . . . . 75.31 111.098 179.824 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 1.5 ptmt -52.87 -29.58 28.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.238 -0.437 . . . . 75.34 110.849 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.248 -0.433 . . . . 72.35 110.87 179.909 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.421 HG23 ' N ' ' A' ' 14' ' ' GLY . 0.0 OUTLIER . . . . . 0 N--CA 1.458 -0.073 0 CA-C-O 120.824 0.345 . . . . 61.32 111.122 . . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . 0.421 ' N ' HG23 ' A' ' 13' ' ' ILE . . . -55.59 -20.73 25.4 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.763 -0.732 . . . . 63.25 112.52 179.9 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -83.16 -19.9 35.73 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.811 0.339 . . . . 75.42 111.086 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 23.6 t -71.08 -14.34 17.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.183 -0.462 . . . . 72.12 111.166 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -117.87 -16.16 9.96 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.132 -0.485 . . . . 73.12 110.93 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 19.8 ttpp -74.12 -44.11 55.03 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.188 -0.46 . . . . 72.43 110.872 179.846 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 11.9 m -89.42 -30.6 5.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.249 -0.432 . . . . 74.53 111.11 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -54.09 -22.84 11.92 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.455 . . . . 72.55 110.916 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.5 m -72.57 -29.69 63.76 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.216 -0.447 . . . . 75.33 111.157 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 9.8 m -56.63 -24.81 50.74 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.212 -0.449 . . . . 74.41 111.133 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -119.99 -12.01 6.68 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.725 -0.75 . . . . 71.25 112.479 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.328 -0.337 0 CA-C-O 120.851 0.357 . . . . 72.52 110.9 -179.922 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 40.2 mt . . . . . 0 N--CA 1.457 -0.096 0 CA-C-O 120.895 0.378 . . . . 75.02 111.164 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -56.6 -18.09 22.42 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.706 -0.759 . . . . 45.03 112.506 179.89 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 13.1 ptmt -81.99 -34.6 29.59 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.812 0.339 . . . . 75.05 110.885 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -80.94 -40.89 23.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.451 . . . . 61.14 111.117 179.851 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -71.21 -25.96 62.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.446 . . . . 71.04 110.926 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 7.6 ttpt -73.25 -37.15 66.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 74.23 110.879 179.834 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 1.6 pttp -80.17 -24.16 40.54 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.248 -0.433 . . . . 72.41 110.91 179.875 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.87 -23.53 63.51 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.221 -0.445 . . . . 63.23 111.116 179.806 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 16.6 ptmt -55.08 -33.17 62.55 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.217 -0.447 . . . . 74.05 110.862 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 2.9 tmpt? . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.254 -0.43 . . . . 73.44 110.908 179.883 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.436 HG23 ' N ' ' A' ' 14' ' ' GLY . 0.0 OUTLIER . . . . . 0 N--CA 1.457 -0.118 0 CA-C-O 120.913 0.387 . . . . 74.13 111.179 . . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . 0.436 ' N ' HG23 ' A' ' 13' ' ' ILE . . . -55.22 -21.09 24.4 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.702 -0.761 . . . . 55.53 112.511 179.882 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -80.6 -21.68 41.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.82 0.343 . . . . 74.42 111.133 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 38.6 t -67.32 -21.18 27.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.207 -0.451 . . . . 62.23 111.113 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -108.01 -19.6 13.45 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.224 -0.444 . . . . 70.03 110.889 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 27.3 ttpt -70.87 -37.24 73.04 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.223 -0.444 . . . . 74.02 110.897 179.842 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 9.7 m -93.72 -31.07 4.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.167 -0.47 . . . . 74.23 111.159 179.877 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 4.1 mt -53.83 -23.23 11.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 74.44 110.876 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.5 m -72.57 -30.01 64.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 54.23 111.133 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 89.4 m -56.48 -24.84 48.61 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.189 -0.46 . . . . 74.14 111.171 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -119.49 -12.44 6.75 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.711 -0.757 . . . . 71.35 112.463 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 33.3 mt . . . . . 0 C--N 1.329 -0.32 0 CA-C-O 120.813 0.34 . . . . 75.2 110.912 -179.936 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 3.4 mp . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.904 0.383 . . . . 75.43 111.092 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -56.68 -17.78 21.84 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.735 -0.745 . . . . 74.52 112.538 179.884 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 1.2 pttp -81.18 -36.13 30.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.852 0.358 . . . . 63.11 110.904 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -80.96 -40.2 24.82 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.202 -0.454 . . . . 70.14 111.119 179.844 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.6 tt -68.6 -27.07 65.72 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.198 -0.456 . . . . 75.33 110.875 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -70.69 -40.17 73.05 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.208 -0.451 . . . . 73.53 110.884 179.845 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 2.1 pttp -80.73 -20.22 43.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.461 . . . . 72.45 110.92 179.865 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -67.92 -19.65 65.01 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.195 -0.457 . . . . 71.14 111.12 179.851 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.42 -31.51 48.18 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.191 -0.458 . . . . 75.45 110.934 179.94 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 2.1 pttt . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.233 -0.44 . . . . 75.0 110.916 179.83 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.434 HG23 ' N ' ' A' ' 14' ' ' GLY . 0.0 OUTLIER . . . . . 0 C--O 1.23 0.065 0 CA-C-O 120.881 0.372 . . . . 73.05 111.112 . . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . 0.434 ' N ' HG23 ' A' ' 13' ' ' ILE . . . -55.18 -21.08 24.12 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.739 -0.743 . . . . 61.04 112.465 179.94 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -80.48 -21.79 41.67 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.801 0.334 . . . . 75.22 111.078 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 38.9 t -67.25 -21.25 27.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 73.2 111.12 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -107.94 -19.53 13.48 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.214 -0.448 . . . . 75.52 110.932 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 3.7 ttpp -70.98 -37.13 72.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.215 -0.448 . . . . 75.03 110.918 179.806 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 9.5 m -93.74 -31.15 4.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.223 -0.444 . . . . 74.12 111.093 179.873 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 4.1 mt -53.87 -23.13 11.58 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.209 -0.451 . . . . 72.35 110.9 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.5 m -72.79 -29.82 63.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 73.41 111.144 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 40.8 m -56.74 -24.64 51.23 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.253 -0.431 . . . . 73.41 111.16 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -119.93 -12.08 6.68 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.683 -0.77 . . . . 75.44 112.462 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 10.2 tt . . . . . 0 C--N 1.328 -0.349 0 CA-C-O 120.834 0.349 . . . . 72.41 110.896 -179.916 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 41.3 mm . . . . . 0 N--CA 1.457 -0.098 0 CA-C-O 120.859 0.362 . . . . 72.54 111.14 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -56.5 -18.2 22.05 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.732 -0.747 . . . . 64.5 112.517 179.914 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 14.3 ptmt -82.15 -35.22 28.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.76 0.314 . . . . 74.35 110.848 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -80.19 -40.1 27.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.281 -0.418 . . . . 74.44 111.064 179.854 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -68.22 -23.59 64.83 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.259 -0.428 . . . . 73.3 110.945 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -80.25 -28.77 38.4 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.13 -0.486 . . . . 71.33 110.873 179.831 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.57 -24.71 63.97 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.253 -0.431 . . . . 71.3 110.909 179.881 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.94 -25.77 67.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.26 -0.427 . . . . 53.43 111.098 179.818 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 3.7 ptmt -53.88 -31.87 51.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.226 -0.443 . . . . 75.42 110.888 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 5.7 mtmt . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.209 -0.45 . . . . 75.33 110.874 179.902 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.422 HG23 ' N ' ' A' ' 14' ' ' GLY . 0.0 OUTLIER . . . . . 0 N--CA 1.457 -0.089 0 CA-C-O 120.836 0.35 . . . . 75.42 111.113 . . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . 0.422 ' N ' HG23 ' A' ' 13' ' ' ILE . . . -54.56 -20.86 19.05 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.681 -0.771 . . . . 70.32 112.476 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -73.76 -22.3 59.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.809 0.337 . . . . 74.42 111.089 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 3.8 p -63.7 -15.41 16.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.246 -0.434 . . . . 65.31 111.103 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -115.39 -24.81 8.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 75.41 110.895 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 25.9 ttmt -65.58 -45.85 81.67 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.198 -0.455 . . . . 75.2 110.905 179.813 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 14.2 m -86.13 -31.7 6.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.177 -0.465 . . . . 60.54 111.119 179.882 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -53.5 -23.14 9.52 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.187 -0.461 . . . . 75.22 110.91 179.936 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.4 m -72.1 -30.08 64.73 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.21 -0.45 . . . . 70.52 111.142 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 7.6 m -56.47 -24.4 45.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.45 . . . . 65.04 111.148 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -120.0 -12.66 6.34 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.74 -0.743 . . . . 61.12 112.473 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 1.4 tp . . . . . 0 C--N 1.328 -0.356 0 CA-C-O 120.83 0.348 . . . . 73.12 110.9 -179.899 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . 0.404 ' O ' HG23 ' A' ' 2' ' ' ILE . 2.3 mp . . . . . 0 N--CA 1.458 -0.072 0 CA-C-O 120.922 0.392 . . . . 73.23 111.138 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -56.49 -18.01 21.33 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.796 -0.716 . . . . 72.15 112.498 179.91 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.29 -35.97 30.41 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.84 0.352 . . . . 65.11 110.908 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -81.14 -40.23 24.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.176 -0.465 . . . . 73.34 111.122 179.828 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -66.1 -34.89 79.08 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.209 -0.45 . . . . 74.04 110.921 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 9.9 mttt -65.98 -40.32 91.12 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.181 -0.463 . . . . 74.05 110.88 179.873 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 4.1 pttp -80.5 -27.81 37.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.196 -0.457 . . . . 74.34 110.924 179.876 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.95 -20.1 55.66 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.209 -0.45 . . . . 71.2 111.081 179.832 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 11.0 ptmt -51.97 -33.33 37.33 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.24 -0.436 . . . . 73.43 110.834 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 6.7 pttp . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.256 -0.429 . . . . 72.4 110.906 179.915 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.438 HG23 ' N ' ' A' ' 14' ' ' GLY . 0.0 OUTLIER . . . . . 0 C--O 1.23 0.065 0 CA-C-O 120.857 0.36 . . . . 71.33 111.139 . . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . 0.438 ' N ' HG23 ' A' ' 13' ' ' ILE . . . -53.39 -22.18 14.95 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.755 -0.735 . . . . 63.12 112.468 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -70.29 -25.84 63.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.766 0.317 . . . . 74.23 111.045 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 4.6 p -58.87 -21.36 18.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.275 -0.421 . . . . 72.0 111.111 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -109.26 -23.77 11.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 75.31 110.918 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 2.6 mmpt? -66.98 -41.03 87.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 75.42 110.92 179.799 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 11.7 m -89.54 -32.03 5.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 73.23 111.138 179.869 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 3.0 mt -52.04 -24.6 6.95 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.193 -0.458 . . . . 74.05 110.938 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 19.8 p -68.74 -33.58 74.16 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.193 -0.458 . . . . 75.21 111.165 179.914 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 94.7 m -51.49 -27.7 11.31 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.18 -0.464 . . . . 73.12 111.123 -179.924 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -119.12 -9.3 8.88 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.79 -0.719 . . . . 54.01 112.513 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 19.4 tp . . . . . 0 C--N 1.329 -0.309 0 CA-C-O 120.759 0.314 . . . . 74.34 110.902 -179.91 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 2' ' ' ILE . . . . . 0.406 HG23 ' O ' ' A' ' 2' ' ' ILE . 2.5 mp . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.847 0.356 . . . . 71.23 111.119 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -56.39 -18.24 21.43 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.709 -0.758 . . . . 73.13 112.498 179.902 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.96 -36.17 28.25 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.806 0.336 . . . . 72.54 110.88 -179.942 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -81.43 -35.27 30.85 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.212 -0.449 . . . . 64.21 111.148 179.792 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -77.16 -19.75 56.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.177 -0.465 . . . . 74.14 110.897 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 10.4 ttpt -80.13 -31.51 39.05 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.231 -0.44 . . . . 74.44 110.926 179.824 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.41 -24.51 39.61 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.444 . . . . 74.52 110.885 179.882 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -67.24 -19.96 65.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.226 -0.443 . . . . 73.45 111.082 179.845 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.82 -59.05 5.4 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.254 -0.43 . . . . 74.14 110.906 179.937 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.231 -0.44 . . . . 73.14 110.912 179.85 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.437 HG23 ' N ' ' A' ' 14' ' ' GLY . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.834 0.35 . . . . 75.53 111.117 . . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . 0.437 ' N ' HG23 ' A' ' 13' ' ' ILE . . . -55.45 -20.87 25.03 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.759 -0.734 . . . . 73.21 112.486 179.918 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -82.26 -20.6 37.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.833 0.349 . . . . 73.05 111.125 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 21.6 t -68.13 -12.38 15.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 74.22 111.119 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -117.18 -24.59 7.43 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.185 -0.461 . . . . 73.31 110.93 179.911 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 30.9 ttmt -66.0 -45.69 80.68 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.207 -0.451 . . . . 75.51 110.939 179.781 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 13.1 m -86.87 -30.95 5.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.229 -0.441 . . . . 74.12 111.156 179.83 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -53.77 -23.0 10.55 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.209 -0.45 . . . . 74.52 110.919 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.4 m -71.83 -30.03 65.05 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.192 -0.458 . . . . 75.43 111.113 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 25.8 m -56.14 -24.75 42.93 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.251 -0.431 . . . . 71.22 111.17 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -119.21 -13.33 6.45 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.713 -0.756 . . . . 74.25 112.427 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.328 -0.334 0 CA-C-O 120.882 0.372 . . . . 75.43 110.908 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.363 0 N-CA-C 112.467 -0.253 . . . . 72.05 112.467 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 2.2 mp -59.77 -25.27 31.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.901 0.381 . . . . 72.44 111.182 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -56.79 -17.73 22.4 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.736 -0.745 . . . . 64.32 112.454 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 28.2 pttt -81.26 -36.0 30.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.747 0.308 . . . . 74.44 110.863 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -81.07 -40.29 24.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.258 -0.428 . . . . 74.21 111.127 179.785 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -65.95 -36.08 82.35 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.185 -0.461 . . . . 75.33 110.905 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 13.9 mttt -66.05 -40.21 90.76 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.232 -0.44 . . . . 73.2 110.904 179.804 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 1.5 pttt -80.26 -27.69 38.55 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.238 -0.437 . . . . 74.4 110.894 179.847 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.86 -20.27 56.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.259 -0.428 . . . . 74.43 111.106 179.823 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 10.4 ptmm? -51.91 -33.34 36.6 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.221 -0.445 . . . . 72.45 110.86 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -75.86 -33.0 59.99 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.207 -0.451 . . . . 64.1 110.855 179.911 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -90.5 16.0 58.83 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.708 -0.758 . . . . 74.14 112.5 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.436 HG23 ' N ' ' A' ' 14' ' ' GLY . 0.0 OUTLIER -52.83 -42.21 42.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.866 0.365 . . . . 74.45 111.096 -179.95 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . 0.436 ' N ' HG23 ' A' ' 13' ' ' ILE . . . -55.46 -20.83 24.97 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.794 -0.717 . . . . 70.31 112.48 179.934 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -82.32 -20.59 37.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.807 0.337 . . . . 64.31 111.109 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 21.6 t -68.13 -12.41 15.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.226 -0.443 . . . . 72.14 111.095 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 51.6 tp -117.18 -24.65 7.41 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.189 -0.46 . . . . 74.32 110.929 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 6.2 ttmt -66.03 -45.66 80.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.154 -0.475 . . . . 74.1 110.888 179.848 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 13.1 m -86.89 -30.99 5.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.24 -0.437 . . . . 74.03 111.108 179.876 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -53.85 -22.88 10.74 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.212 -0.449 . . . . 73.22 110.884 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.5 m -72.09 -29.95 64.61 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.191 -0.459 . . . . 63.31 111.134 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 6.5 m -56.39 -24.48 44.92 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.217 -0.447 . . . . 75.0 111.146 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -120.0 -12.67 6.33 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.721 -0.752 . . . . 60.44 112.476 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 2.8 tt . . . . . 0 C--N 1.328 -0.356 0 CA-C-O 120.803 0.335 . . . . 64.22 110.917 -179.941 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.31 0 N-CA-C 112.466 -0.253 . . . . 70.22 112.466 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 2.3 mp -59.82 -25.29 31.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.896 0.379 . . . . 71.14 111.134 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -56.73 -17.78 22.17 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.697 -0.763 . . . . 74.41 112.5 179.89 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 9.3 pttp -81.17 -36.08 30.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.799 0.333 . . . . 71.14 110.902 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -81.11 -40.08 24.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.193 -0.458 . . . . 62.12 111.064 179.859 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 10.1 tt -65.65 -37.17 85.79 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.247 -0.433 . . . . 74.24 110.914 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 6.1 ttmm -64.98 -40.34 94.82 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.17 -0.468 . . . . 74.33 110.866 179.853 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 2.1 pttp -80.37 -26.64 38.52 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.233 -0.439 . . . . 73.33 110.936 179.867 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.85 -20.58 57.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.229 -0.441 . . . . 72.44 111.129 179.801 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 1.8 ptmm? -51.81 -32.91 33.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 73.2 110.889 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 10.6 mtmt -87.97 -25.57 23.09 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.162 -0.472 . . . . 74.22 110.917 179.854 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -90.73 6.84 81.95 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.725 -0.75 . . . . 63.3 112.472 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.437 HG23 ' N ' ' A' ' 14' ' ' GLY . 0.0 OUTLIER -52.86 -42.28 42.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.837 0.351 . . . . 71.12 111.118 -179.965 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . 0.437 ' N ' HG23 ' A' ' 13' ' ' ILE . . . -54.56 -21.59 21.66 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.688 -0.767 . . . . 72.11 112.478 179.924 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -77.16 -24.17 51.55 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.843 0.354 . . . . 61.32 111.106 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 73.0 t -60.04 -37.03 71.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.198 -0.455 . . . . 71.01 111.134 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -92.46 -20.58 20.85 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.177 -0.465 . . . . 73.0 110.89 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 13.1 ttpt -66.72 -46.71 74.65 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.189 -0.46 . . . . 75.12 110.891 179.859 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 11.8 m -83.59 -32.75 9.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.261 -0.427 . . . . 75.11 111.14 179.842 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 6.1 mt -53.92 -23.15 11.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.152 -0.476 . . . . 64.1 110.901 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.7 m -73.41 -28.78 62.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.234 -0.439 . . . . 70.32 111.152 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 5.1 m -57.08 -25.98 59.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 71.23 111.161 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -120.07 -10.35 7.54 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.744 -0.741 . . . . 65.31 112.456 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.329 -0.306 0 CA-C-O 120.846 0.355 . . . . 75.53 110.929 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 N-CA-C 112.433 -0.267 . . . . 74.02 112.433 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . 0.404 ' O ' HG23 ' A' ' 2' ' ' ILE . 42.0 mm -59.76 -23.52 26.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.828 0.347 . . . . 74.4 111.092 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -56.57 -17.92 21.62 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.739 -0.744 . . . . 65.33 112.487 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.46 -35.71 30.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.743 0.306 . . . . 75.22 110.869 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -81.19 -40.33 24.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.453 . . . . 51.15 111.106 179.849 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -65.94 -36.01 82.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.168 -0.469 . . . . 74.42 110.934 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 4.5 ttpp -66.07 -40.24 90.7 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.192 -0.458 . . . . 75.12 110.878 179.803 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 8.5 ptmt -80.29 -27.8 38.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.187 -0.461 . . . . 74.31 110.891 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.83 -20.23 55.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.212 -0.449 . . . . 74.44 111.114 179.818 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 20.9 ptmt -51.58 -36.47 45.54 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.187 -0.461 . . . . 74.31 110.896 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.11 -32.84 63.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.253 -0.43 . . . . 74.41 110.867 179.897 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -90.71 16.62 57.7 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.729 -0.748 . . . . 73.35 112.485 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.438 HG23 ' N ' ' A' ' 14' ' ' GLY . 0.0 OUTLIER -52.7 -42.23 40.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-O 120.896 0.379 . . . . 75.45 111.174 179.991 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . 0.438 ' N ' HG23 ' A' ' 13' ' ' ILE . . . -55.3 -21.04 24.79 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.709 -0.757 . . . . 65.31 112.471 179.927 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -80.88 -21.48 40.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.836 0.351 . . . . 72.22 111.105 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 57.5 t -64.89 -21.87 30.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.202 -0.454 . . . . 72.13 111.127 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -106.83 -24.65 12.0 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.161 -0.472 . . . . 75.33 110.868 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 14.0 ttpt -64.97 -46.03 83.2 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.244 -0.434 . . . . 74.43 110.882 179.844 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 11.6 m -84.0 -32.6 8.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.247 -0.433 . . . . 74.41 111.167 179.851 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 3.6 mt -53.4 -23.72 10.48 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.181 -0.463 . . . . 75.14 110.896 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.5 m -72.32 -29.76 64.13 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.222 -0.444 . . . . 74.3 111.114 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 17.2 m -56.72 -24.68 51.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.282 -0.417 . . . . 75.34 111.147 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -120.04 -12.1 6.6 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.752 -0.737 . . . . 71.25 112.496 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 4.7 tp . . . . . 0 C--N 1.329 -0.322 0 CA-C-O 120.833 0.349 . . . . 74.3 110.917 -179.923 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.304 0 N-CA-C 112.482 -0.247 . . . . 64.1 112.482 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 41.3 mm -59.83 -24.59 29.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 120.888 0.375 . . . . 74.43 111.139 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -56.56 -18.02 21.87 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.737 -0.744 . . . . 71.5 112.486 179.901 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 14.0 ptmt -81.61 -36.91 28.4 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.8 0.333 . . . . 73.43 110.951 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -81.42 -34.28 31.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.153 -0.476 . . . . 72.43 111.053 179.816 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 6.5 tt -72.62 -40.23 66.63 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.266 -0.424 . . . . 72.01 110.898 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 4.2 mtmp? -73.89 -35.55 64.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.226 -0.443 . . . . 74.45 110.915 179.828 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.56 -23.83 39.65 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.198 -0.455 . . . . 71.2 110.907 179.845 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.9 -23.58 63.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.221 -0.445 . . . . 74.5 111.098 179.807 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 15.2 ptmt -52.04 -32.64 35.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.253 -0.43 . . . . 73.15 110.888 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 6.1 ttpp -85.43 -27.33 25.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.23 -0.441 . . . . 74.1 110.849 179.894 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -86.12 7.84 76.26 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.743 -0.742 . . . . 70.33 112.515 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.435 HG23 ' N ' ' A' ' 14' ' ' GLY . 0.0 OUTLIER -53.03 -42.3 44.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-O 120.901 0.382 . . . . 75.25 111.168 -179.973 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . 0.435 ' N ' HG23 ' A' ' 13' ' ' ILE . . . -55.28 -20.89 23.94 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.718 -0.753 . . . . 73.23 112.51 179.889 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -77.88 -20.62 52.63 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.83 0.348 . . . . 73.03 111.095 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 22.0 t -67.81 -12.6 15.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.449 . . . . 75.33 111.095 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -117.03 -24.36 7.6 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.217 -0.447 . . . . 75.33 110.912 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 3.9 ttmt -66.22 -45.61 80.11 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.179 -0.464 . . . . 74.52 110.889 179.88 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 12.1 m -87.08 -31.05 5.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.226 -0.443 . . . . 74.4 111.142 179.851 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -52.86 -23.73 7.63 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.175 -0.466 . . . . 73.41 110.956 179.91 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.8 m -66.13 -28.49 68.83 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.2 -0.454 . . . . 74.11 111.152 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 78.5 p -51.59 -35.7 42.5 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.241 -0.436 . . . . 64.35 111.124 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -108.64 -13.94 17.22 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.741 -0.742 . . . . 65.13 112.495 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 8.1 tt . . . . . 0 C--N 1.328 -0.359 0 CA-C-O 120.832 0.349 . . . . 63.43 110.899 -179.906 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.272 0 N-CA-C 112.495 -0.242 . . . . 70.33 112.495 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 41.4 mm -59.79 -25.1 31.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.855 0.36 . . . . 71.11 111.146 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -56.53 -18.17 22.18 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.712 -0.756 . . . . 70.13 112.531 179.886 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 12.9 ptmt -81.93 -35.29 29.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.775 0.321 . . . . 72.02 110.868 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -80.38 -39.95 27.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.237 -0.438 . . . . 75.21 111.115 179.847 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -71.56 -20.33 62.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.224 -0.444 . . . . 71.44 110.932 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -80.13 -30.95 39.11 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 74.42 110.899 179.849 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -59.89 -25.57 65.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 74.31 110.896 179.91 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.04 -21.97 62.07 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.185 -0.461 . . . . 71.24 111.093 179.838 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -53.14 -28.66 27.11 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.272 -0.422 . . . . 74.41 110.862 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.49 -32.66 48.35 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.218 -0.446 . . . . 73.31 110.836 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -90.02 15.04 60.42 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.758 -0.734 . . . . 73.43 112.532 179.911 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.422 HG23 ' N ' ' A' ' 14' ' ' GLY . 0.0 OUTLIER -52.94 -42.57 44.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.848 0.356 . . . . 74.34 111.164 -179.979 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . 0.422 ' N ' HG23 ' A' ' 13' ' ' ILE . . . -54.46 -21.94 22.12 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.74 -0.743 . . . . 62.0 112.509 179.907 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -74.32 -22.26 59.34 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.795 0.331 . . . . 44.11 111.067 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 22.0 t -66.88 -13.32 16.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.454 . . . . 75.3 111.127 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -114.04 -25.48 8.53 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.183 -0.462 . . . . 73.35 110.905 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 7.2 mmpt? -66.22 -40.57 90.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.195 -0.457 . . . . 63.23 110.895 179.837 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 10.6 m -90.03 -31.37 5.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.261 -0.427 . . . . 65.3 111.16 179.877 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 2.0 mt -53.64 -23.46 11.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.156 -0.474 . . . . 75.54 110.868 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.5 m -71.44 -29.78 65.27 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.214 -0.448 . . . . 73.31 111.135 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 39.8 m -56.37 -24.57 45.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.252 -0.431 . . . . 75.25 111.148 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -119.99 -12.75 6.3 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.712 -0.756 . . . . 65.14 112.484 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.328 -0.355 0 CA-C-O 120.823 0.344 . . . . 74.5 110.912 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.35 0 N-CA-C 112.475 -0.25 . . . . 74.11 112.475 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . 0.411 ' O ' HG23 ' A' ' 2' ' ' ILE . 44.9 mm -59.69 -20.54 19.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.883 0.373 . . . . 75.25 111.168 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -56.47 -17.92 20.92 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.731 -0.747 . . . . 74.14 112.478 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.34 -37.29 28.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.813 0.34 . . . . 71.35 110.89 -179.924 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -80.47 -38.95 28.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 71.04 111.12 179.795 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -72.78 -19.89 61.27 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.212 -0.449 . . . . 72.15 110.94 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 37.8 ttmt -80.0 -30.77 39.68 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.183 -0.462 . . . . 71.21 110.916 179.795 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 15.6 pttt -59.97 -25.97 65.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.225 -0.443 . . . . 74.3 110.892 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.01 -24.02 64.14 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.239 -0.437 . . . . 75.31 111.128 179.801 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 9.7 ptmt -55.36 -31.86 62.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.2 -0.454 . . . . 74.31 110.865 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 2.8 tmpt? -70.35 -25.55 63.33 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.251 -0.431 . . . . 75.14 110.872 179.867 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -88.85 12.71 64.96 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.742 -0.742 . . . . 74.41 112.539 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.424 HG23 ' N ' ' A' ' 14' ' ' GLY . 0.0 OUTLIER -52.99 -42.09 43.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.877 0.37 . . . . 71.23 111.148 -179.926 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . 0.424 ' N ' HG23 ' A' ' 13' ' ' ILE . . . -55.63 -20.77 25.84 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.696 -0.764 . . . . 73.11 112.474 179.92 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -82.4 -20.42 37.15 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.799 0.333 . . . . 64.34 111.071 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 21.6 t -67.99 -12.41 15.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.451 . . . . 73.44 111.157 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 38.7 tp -117.38 -24.8 7.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.154 -0.475 . . . . 71.44 110.91 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 13.9 ttpt -65.59 -46.05 80.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.148 -0.478 . . . . 71.53 110.906 179.824 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 12.5 m -86.76 -31.09 6.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.227 -0.442 . . . . 75.11 111.142 179.836 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -52.75 -23.75 7.41 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.217 -0.447 . . . . 72.22 110.898 179.932 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.8 m -66.14 -28.63 68.94 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.19 -0.459 . . . . 74.11 111.12 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 77.6 p -51.59 -35.62 42.24 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.23 -0.441 . . . . 72.22 111.176 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -108.49 -14.09 17.07 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.746 -0.74 . . . . 71.21 112.476 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.328 -0.335 0 CA-C-O 120.852 0.358 . . . . 75.1 110.886 -179.871 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.301 0 N-CA-C 112.487 -0.245 . . . . 72.11 112.487 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 40.6 mt -59.92 -25.1 31.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-O 120.863 0.363 . . . . 74.14 111.111 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -56.67 -17.86 22.04 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.71 -0.757 . . . . 43.32 112.533 179.86 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 1.5 pttp -81.23 -36.14 30.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.763 0.316 . . . . 72.3 110.857 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -80.89 -40.17 25.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.251 -0.431 . . . . 62.54 111.146 179.795 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 4.2 tt -68.71 -27.24 65.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 75.55 110.906 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 11.2 ttpp -70.55 -40.11 73.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.158 -0.474 . . . . 64.54 110.898 179.836 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 1.6 pttp -80.17 -21.55 42.93 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.215 -0.448 . . . . 74.42 110.916 179.88 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.35 -22.2 62.98 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.187 -0.46 . . . . 71.31 111.084 179.872 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.29 -28.48 28.29 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.266 -0.424 . . . . 74.42 110.884 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -77.73 -32.65 52.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.251 -0.431 . . . . 75.43 110.892 179.9 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -90.31 15.52 59.7 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.708 -0.758 . . . . 71.3 112.501 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.432 HG23 ' N ' ' A' ' 14' ' ' GLY . 0.0 OUTLIER -52.99 -42.55 44.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-O 120.812 0.339 . . . . 73.34 111.12 -179.988 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . 0.432 ' N ' HG23 ' A' ' 13' ' ' ILE . . . -54.53 -21.88 22.42 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.699 -0.762 . . . . 70.25 112.53 179.892 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -74.45 -22.22 59.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.77 0.319 . . . . 75.43 111.06 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 22.1 t -66.88 -13.39 16.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.238 -0.437 . . . . 63.54 111.13 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -113.94 -25.47 8.57 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.199 -0.455 . . . . 74.33 110.943 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -66.21 -40.67 90.49 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 71.33 110.903 179.838 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 10.8 m -89.91 -31.43 5.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.203 -0.453 . . . . 54.33 111.169 179.884 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 2.0 mt -53.55 -23.49 10.81 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.123 -0.49 . . . . 73.51 110.929 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.5 m -71.34 -29.8 65.42 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.175 -0.466 . . . . 71.04 111.209 179.912 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 4.4 m -56.28 -24.72 44.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.201 -0.454 . . . . 72.11 111.112 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -120.0 -12.64 6.35 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.746 -0.74 . . . . 53.13 112.493 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 7.8 tp . . . . . 0 C--N 1.328 -0.344 0 CA-C-O 120.823 0.344 . . . . 75.43 110.908 -179.923 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.258 0 N-CA-C 112.488 -0.245 . . . . 51.41 112.488 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . 0.403 HG23 ' O ' ' A' ' 2' ' ' ILE . 2.6 mp -59.88 -19.86 18.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 120.925 0.393 . . . . 70.54 111.138 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -56.27 -17.96 19.65 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.736 -0.745 . . . . 74.25 112.469 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -81.31 -38.63 26.44 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.766 0.317 . . . . 75.54 110.882 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -81.2 -33.05 33.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.239 -0.437 . . . . 71.32 111.122 179.811 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 6.4 tt -73.29 -40.35 64.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.454 . . . . 74.45 110.904 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 8.0 mmtt -73.77 -35.31 64.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 72.53 110.901 179.824 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.57 -24.46 39.19 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.208 -0.451 . . . . 74.54 110.903 179.882 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.92 -21.4 61.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 74.33 111.117 179.805 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -52.19 -32.47 36.37 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.196 -0.456 . . . . 75.12 110.855 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -76.7 -32.72 58.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.262 -0.426 . . . . 72.43 110.877 179.885 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -90.3 15.52 59.67 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.748 -0.739 . . . . 72.23 112.47 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.438 HG23 ' N ' ' A' ' 14' ' ' GLY . 0.0 OUTLIER -52.78 -42.27 41.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-O 120.921 0.391 . . . . 74.41 111.161 179.96 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . 0.438 ' N ' HG23 ' A' ' 13' ' ' ILE . . . -55.3 -20.98 24.55 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.752 -0.737 . . . . 71.23 112.471 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -80.84 -21.66 40.6 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.849 0.357 . . . . 53.32 111.098 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 25.2 t -67.24 -21.51 28.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.185 -0.461 . . . . 71.31 111.143 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -107.83 -19.44 13.52 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.164 -0.471 . . . . 73.23 110.928 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 3.8 ttpp -71.0 -37.21 72.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.45 . . . . 74.32 110.908 179.818 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 9.9 m -93.64 -31.17 4.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.239 -0.437 . . . . 73.2 111.126 179.858 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 4.2 mt -53.84 -23.2 11.62 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.15 -0.477 . . . . 75.23 110.899 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.5 m -72.79 -29.88 63.64 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.174 -0.466 . . . . 72.13 111.145 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 5.9 m -56.7 -24.65 50.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.26 -0.427 . . . . 75.32 111.169 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -119.95 -12.09 6.66 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.722 -0.751 . . . . 52.14 112.457 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.31 0 CA-C-O 120.86 0.362 . . . . 75.21 110.922 -179.901 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.271 0 N-CA-C 112.466 -0.254 . . . . 71.1 112.466 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 2.2 mp -59.82 -23.57 26.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.872 0.368 . . . . 70.01 111.144 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -56.45 -18.21 21.78 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.755 -0.736 . . . . 64.32 112.484 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.0 -35.41 28.92 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.759 0.314 . . . . 74.25 110.867 -179.925 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -80.42 -40.09 27.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.451 . . . . 75.32 111.078 179.809 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -70.89 -21.6 62.37 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.216 -0.447 . . . . 75.22 110.951 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 8.1 mttt -80.14 -28.98 38.79 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.188 -0.46 . . . . 74.11 110.883 179.827 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 1.1 pttp -59.81 -25.46 64.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.244 -0.435 . . . . 73.31 110.916 179.866 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.01 -25.03 64.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.239 -0.437 . . . . 74.11 111.109 179.833 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.84 -33.42 36.09 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.219 -0.446 . . . . 74.44 110.923 179.914 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 5.0 tmmt? -60.91 -40.88 94.8 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.21 -0.45 . . . . 74.52 110.887 179.894 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -93.01 24.36 24.99 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.699 -0.762 . . . . 61.4 112.485 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.429 HG23 ' N ' ' A' ' 14' ' ' GLY . 0.0 OUTLIER -52.04 -42.07 33.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.879 0.371 . . . . 72.23 111.083 -179.937 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . 0.429 ' N ' HG23 ' A' ' 13' ' ' ILE . . . -55.64 -20.73 25.76 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.728 -0.749 . . . . 73.03 112.49 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -83.4 -19.75 35.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.809 0.338 . . . . 72.4 111.081 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 22.8 t -71.19 -14.36 17.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.212 -0.449 . . . . 74.55 111.173 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -118.02 -15.93 9.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.146 -0.479 . . . . 74.45 110.961 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 3.8 ttpp -74.17 -44.15 54.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 74.4 110.925 179.792 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 11.7 m -89.56 -30.57 5.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.455 . . . . 62.33 111.134 179.865 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -53.62 -23.29 10.61 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.168 -0.469 . . . . 72.12 110.894 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.4 m -69.92 -30.06 67.38 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.22 -0.445 . . . . 72.44 111.175 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 5.0 m -54.61 -26.51 33.2 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.218 -0.446 . . . . 74.43 111.114 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -114.49 -16.23 7.73 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.786 -0.721 . . . . 74.42 112.518 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 1.6 mm? . . . . . 0 C--N 1.328 -0.335 0 CA-C-O 120.86 0.362 . . . . 74.13 110.892 -179.915 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.345 0 N-CA-C 112.492 -0.243 . . . . 52.34 112.492 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 2.8 mt -59.76 -23.4 26.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 120.859 0.361 . . . . 74.51 111.153 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -56.66 -17.96 22.31 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.76 -0.733 . . . . 74.13 112.466 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.31 -35.87 30.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.809 0.338 . . . . 75.54 110.883 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -81.17 -40.24 24.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.175 -0.466 . . . . 73.35 111.062 179.9 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -65.29 -35.22 80.36 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.239 -0.437 . . . . 74.13 110.89 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 1.3 mmtp -64.81 -40.49 95.3 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.213 -0.449 . . . . 65.12 110.898 179.82 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 11.8 pttp -80.51 -28.21 37.49 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.225 -0.443 . . . . 75.03 110.937 179.861 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.86 -28.36 67.46 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.212 -0.449 . . . . 74.12 111.134 179.807 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 18.9 ptmt -51.8 -33.81 37.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 71.31 110.891 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 4.0 ttpt -84.24 -27.73 27.73 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.253 -0.43 . . . . 73.55 110.914 179.844 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -87.92 7.87 79.83 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.777 -0.725 . . . . 74.53 112.479 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.437 HG23 ' N ' ' A' ' 14' ' ' GLY . 0.0 OUTLIER -52.02 -42.63 34.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.831 0.348 . . . . 73.3 111.126 -179.959 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . 0.437 ' N ' HG23 ' A' ' 13' ' ' ILE . . . -53.17 -22.23 13.44 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.775 -0.726 . . . . 72.54 112.504 179.896 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -70.0 -26.52 64.11 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.828 0.346 . . . . 64.42 111.097 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 4.7 p -57.92 -22.93 19.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.231 -0.441 . . . . 75.5 111.137 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -107.22 -24.4 11.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 75.21 110.87 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.4 mmpt? -66.72 -40.33 88.36 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.234 -0.439 . . . . 74.03 110.88 179.862 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 11.7 m -89.47 -32.12 5.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.215 -0.448 . . . . 74.32 111.09 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 3.8 mt -53.73 -23.2 11.01 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.196 -0.456 . . . . 75.51 110.963 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.6 m -72.55 -29.36 63.49 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.464 . . . . 72.43 111.154 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 10.0 m -56.69 -25.14 53.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 63.32 111.201 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -119.99 -11.69 6.84 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.778 -0.725 . . . . 74.04 112.522 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 20.1 tp . . . . . 0 C--N 1.328 -0.327 0 CA-C-O 120.838 0.351 . . . . 72.11 110.919 -179.936 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 N-CA-C 112.476 -0.249 . . . . 54.35 112.476 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 2.5 mp -59.72 -25.47 32.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-O 120.858 0.361 . . . . 73.3 111.102 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -56.51 -18.16 22.03 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.686 -0.769 . . . . 70.2 112.487 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -81.72 -35.37 29.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.752 0.31 . . . . 73.04 110.901 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -80.43 -40.08 27.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.224 -0.444 . . . . 73.11 111.11 179.807 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -71.03 -21.23 62.3 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.252 -0.431 . . . . 74.41 110.959 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 9.6 mttt -80.08 -30.41 39.24 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 74.44 110.928 179.813 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 12.3 pttt -59.84 -23.84 63.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 63.31 110.894 179.851 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -71.24 -33.71 70.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.244 -0.435 . . . . 72.34 111.091 179.8 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 11.9 mttt -59.6 -52.48 65.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.223 -0.444 . . . . 75.33 110.879 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -70.64 -29.58 65.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.228 -0.442 . . . . 73.23 110.867 179.905 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -90.35 15.76 59.18 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.729 -0.748 . . . . 60.23 112.511 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.438 HG23 ' N ' ' A' ' 14' ' ' GLY . 0.0 OUTLIER -52.87 -42.11 42.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.847 0.356 . . . . 74.01 111.141 -179.965 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . 0.438 ' N ' HG23 ' A' ' 13' ' ' ILE . . . -55.54 -20.81 25.45 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.761 -0.733 . . . . 75.01 112.444 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -82.09 -20.71 37.6 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.811 0.338 . . . . 52.33 111.055 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 21.6 t -67.88 -12.51 15.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.242 -0.436 . . . . 74.23 111.119 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -116.75 -25.26 7.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.469 . . . . 72.32 110.939 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 30.7 ttmt -65.18 -45.58 84.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 73.03 110.901 179.829 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 11.9 m -86.43 -31.59 6.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.452 . . . . 75.32 111.119 179.921 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 1.2 mt -51.84 -24.72 6.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 75.14 110.876 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.4 m -64.63 -30.54 71.56 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.226 -0.443 . . . . 71.01 111.159 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 59.9 p -51.51 -36.23 43.86 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.21 -0.45 . . . . 75.24 111.159 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -105.91 -15.2 19.05 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.719 -0.753 . . . . 65.31 112.466 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 7.3 tt . . . . . 0 C--N 1.328 -0.347 0 CA-C-O 120.848 0.356 . . . . 72.33 110.916 -179.916 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.334 0 N-CA-C 112.436 -0.266 . . . . 73.34 112.436 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . 0.403 ' O ' HG23 ' A' ' 2' ' ' ILE . 45.2 mm -59.86 -20.4 19.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.861 0.363 . . . . 72.14 111.119 -179.912 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -56.48 -17.83 20.62 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.746 -0.74 . . . . 72.13 112.509 179.906 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.38 -37.37 28.32 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.804 0.335 . . . . 74.23 110.902 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -80.47 -38.75 29.37 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.222 -0.445 . . . . 72.41 111.094 179.824 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -73.05 -19.83 61.1 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.239 -0.437 . . . . 73.34 110.9 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 30.4 ttpt -79.95 -30.92 39.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.165 -0.471 . . . . 73.35 110.872 179.873 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 5.6 pttt -59.94 -25.8 65.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.254 -0.43 . . . . 75.55 110.885 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.96 -23.04 63.26 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.227 -0.442 . . . . 73.31 111.117 179.81 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.8 -34.13 38.63 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.181 -0.463 . . . . 73.32 110.921 179.933 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 6.1 ttpt -85.74 -26.47 25.84 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.186 -0.461 . . . . 74.31 110.865 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -85.41 6.67 79.18 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.798 -0.715 . . . . 73.12 112.53 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.436 HG23 ' N ' ' A' ' 14' ' ' GLY . 0.0 OUTLIER -52.99 -42.54 44.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.904 0.383 . . . . 72.1 111.124 -179.956 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . 0.436 ' N ' HG23 ' A' ' 13' ' ' ILE . . . -53.05 -24.64 21.54 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.768 -0.73 . . . . 72.42 112.516 179.938 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -69.36 -24.1 63.85 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.868 0.366 . . . . 75.43 111.116 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 21.5 t -66.99 -12.03 14.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 73.41 111.122 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 27.2 tp -112.63 -26.0 8.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.137 -0.483 . . . . 73.02 110.906 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.2 mtmt -64.15 -46.11 85.53 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.174 -0.466 . . . . 73.55 110.933 179.802 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 11.7 m -84.81 -32.08 7.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.207 -0.452 . . . . 73.45 111.093 179.891 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -53.83 -23.11 11.26 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.174 -0.466 . . . . 73.24 110.919 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.6 m -71.95 -29.25 64.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.466 . . . . 73.15 111.139 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 61.1 m -56.56 -25.15 51.36 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.171 -0.468 . . . . 75.31 111.149 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -120.04 -11.97 6.67 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.74 -0.743 . . . . 74.45 112.481 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.328 -0.339 0 CA-C-O 120.826 0.346 . . . . 75.21 110.922 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.339 0 N-CA-C 112.509 -0.236 . . . . 75.44 112.509 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . 0.41 ' O ' HG23 ' A' ' 2' ' ' ILE . 41.2 mm -59.76 -23.11 25.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 120.927 0.394 . . . . 75.42 111.145 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -56.59 -17.99 21.93 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.761 -0.733 . . . . 74.1 112.445 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.3 -35.95 30.4 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.798 0.333 . . . . 73.03 110.917 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -81.15 -40.29 24.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.219 -0.446 . . . . 60.4 111.093 179.812 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 9.4 tt -65.75 -36.57 83.93 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.267 -0.424 . . . . 72.01 110.87 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 1.8 tpmt? -65.56 -40.29 92.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.224 -0.443 . . . . 71.14 110.871 179.887 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.3 -26.56 38.8 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.205 -0.452 . . . . 75.42 110.922 179.874 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.94 -20.79 59.45 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.232 -0.44 . . . . 71.31 111.088 179.819 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 17.1 ptmt -51.87 -32.98 34.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.209 -0.451 . . . . 64.12 110.883 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 6.1 ttpp -86.71 -26.35 24.3 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.233 -0.44 . . . . 75.33 110.891 179.894 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -89.17 7.49 81.99 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.741 -0.742 . . . . 72.3 112.508 179.864 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.439 HG23 ' N ' ' A' ' 14' ' ' GLY . 0.0 OUTLIER -52.93 -42.14 42.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-O 120.805 0.336 . . . . 75.5 111.125 -179.983 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . 0.439 ' N ' HG23 ' A' ' 13' ' ' ILE . . . -55.22 -21.06 24.35 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.749 -0.738 . . . . 73.12 112.475 179.909 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -80.65 -21.69 41.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.886 0.375 . . . . 75.43 111.131 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 26.2 t -67.44 -20.86 27.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.159 -0.473 . . . . 73.24 111.126 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -108.56 -19.31 13.49 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.192 -0.458 . . . . 75.14 110.914 179.933 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 3.7 ttpp -70.9 -37.98 72.99 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.219 -0.446 . . . . 72.41 110.91 179.823 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 8.7 m -93.21 -31.27 4.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.24 -0.436 . . . . 74.35 111.147 179.859 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 3.8 mt -52.99 -23.76 8.01 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.134 -0.485 . . . . 64.04 110.924 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 2.0 m -66.18 -27.69 68.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 75.34 111.136 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 6.1 t -52.54 -32.56 41.29 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.194 -0.457 . . . . 71.3 111.131 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -109.86 -15.07 12.42 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.765 -0.731 . . . . 64.14 112.527 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 2.9 tp . . . . . 0 C--N 1.329 -0.3 0 CA-C-O 120.873 0.368 . . . . 63.44 110.898 -179.925 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.34 0 N-CA-C 112.45 -0.26 . . . . 71.42 112.45 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . 0.418 HG23 ' O ' ' A' ' 2' ' ' ILE . 45.7 mm -59.79 -20.48 19.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.837 0.351 . . . . 73.41 111.136 -179.933 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -56.54 -17.91 21.35 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.72 -0.752 . . . . 71.23 112.421 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.29 -37.25 28.73 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.79 0.329 . . . . 73.32 110.888 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -80.44 -39.25 28.56 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.225 -0.443 . . . . 64.33 111.114 179.831 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -72.15 -19.98 61.68 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.229 -0.442 . . . . 74.01 110.948 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 3.5 ttmt -80.14 -30.89 39.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.183 -0.462 . . . . 74.14 110.91 179.841 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 15.8 pttt -59.84 -25.68 65.2 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.218 -0.446 . . . . 75.14 110.927 179.825 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.87 -22.43 62.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.214 -0.448 . . . . 44.12 111.131 179.806 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.09 -28.73 26.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.211 -0.45 . . . . 72.22 110.895 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 5.2 mtmt -85.88 -28.61 24.27 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.213 -0.449 . . . . 72.2 110.933 179.863 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -85.23 6.89 77.98 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.769 -0.729 . . . . 41.45 112.49 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.426 HG23 ' N ' ' A' ' 14' ' ' GLY . 0.0 OUTLIER -52.87 -42.1 41.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.891 0.377 . . . . 74.22 111.15 -179.998 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . 0.426 ' N ' HG23 ' A' ' 13' ' ' ILE . . . -55.5 -20.77 24.94 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.708 -0.758 . . . . 74.13 112.474 179.926 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -82.31 -20.7 36.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.811 0.339 . . . . 70.14 111.079 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 21.6 t -68.76 -12.53 16.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.199 -0.455 . . . . 73.31 111.141 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -117.36 -22.69 8.12 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.18 -0.464 . . . . 74.11 110.914 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 15.6 tppt? -68.04 -45.01 75.13 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.224 -0.444 . . . . 73.51 110.882 179.838 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 12.7 m -87.67 -30.79 5.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 71.54 111.09 179.884 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -53.96 -22.97 11.52 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.231 -0.44 . . . . 73.31 110.912 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.5 m -72.09 -29.84 64.5 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.204 -0.453 . . . . 63.35 111.17 179.903 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 15.4 m -56.46 -24.6 46.71 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.216 -0.447 . . . . 64.43 111.134 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -120.01 -12.48 6.43 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.773 -0.727 . . . . 72.45 112.467 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 6.4 tt . . . . . 0 C--N 1.328 -0.335 0 CA-C-O 120.794 0.33 . . . . 72.44 110.969 -179.954 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 N-CA-C 112.477 -0.249 . . . . 74.53 112.477 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 41.2 mm -59.71 -24.69 29.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-O 120.842 0.353 . . . . 75.41 111.141 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -56.38 -18.37 21.79 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.712 -0.756 . . . . 71.31 112.494 179.895 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -82.24 -36.21 27.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.762 0.315 . . . . 73.22 110.904 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -80.63 -34.72 34.76 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.257 -0.429 . . . . 61.52 111.076 179.827 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 10.6 tp -74.51 -29.92 61.6 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.215 -0.448 . . . . 72.53 110.946 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -79.27 -19.67 49.97 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.157 -0.474 . . . . 73.22 110.953 179.789 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 27.3 pttt -59.67 -26.07 65.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.454 . . . . 74.34 110.887 179.867 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.95 -21.93 61.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.241 -0.436 . . . . 75.31 111.098 179.824 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 1.5 ptmt -52.87 -29.58 28.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.238 -0.437 . . . . 75.34 110.849 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -78.19 -32.67 50.17 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.248 -0.433 . . . . 72.35 110.87 179.909 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -89.91 14.73 61.08 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.728 -0.749 . . . . 63.13 112.486 179.918 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.421 HG23 ' N ' ' A' ' 14' ' ' GLY . 0.0 OUTLIER -52.9 -42.2 42.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.824 0.345 . . . . 61.32 111.122 -179.98 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . 0.421 ' N ' HG23 ' A' ' 13' ' ' ILE . . . -55.59 -20.73 25.4 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.763 -0.732 . . . . 63.25 112.52 179.9 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -83.16 -19.9 35.73 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.811 0.339 . . . . 75.42 111.086 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 23.6 t -71.08 -14.34 17.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.183 -0.462 . . . . 72.12 111.166 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -117.87 -16.16 9.96 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.132 -0.485 . . . . 73.12 110.93 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 19.8 ttpp -74.12 -44.11 55.03 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.188 -0.46 . . . . 72.43 110.872 179.846 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 11.9 m -89.42 -30.6 5.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.249 -0.432 . . . . 74.53 111.11 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -54.09 -22.84 11.92 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.455 . . . . 72.55 110.916 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.5 m -72.57 -29.69 63.76 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.216 -0.447 . . . . 75.33 111.157 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 9.8 m -56.63 -24.81 50.74 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.212 -0.449 . . . . 74.41 111.133 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -119.99 -12.01 6.68 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.725 -0.75 . . . . 71.25 112.479 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.328 -0.337 0 CA-C-O 120.851 0.357 . . . . 72.52 110.9 -179.922 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 N-CA-C 112.513 -0.235 . . . . 72.44 112.513 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 40.2 mt -59.91 -26.17 34.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-O 120.895 0.378 . . . . 75.02 111.164 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -56.6 -18.09 22.42 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.706 -0.759 . . . . 45.03 112.506 179.89 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 13.1 ptmt -81.99 -34.6 29.59 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.812 0.339 . . . . 75.05 110.885 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -80.94 -40.89 23.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.451 . . . . 61.14 111.117 179.851 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -71.21 -25.96 62.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.446 . . . . 71.04 110.926 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 7.6 ttpt -73.25 -37.15 66.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 74.23 110.879 179.834 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 1.6 pttp -80.17 -24.16 40.54 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.248 -0.433 . . . . 72.41 110.91 179.875 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.87 -23.53 63.51 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.221 -0.445 . . . . 63.23 111.116 179.806 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 16.6 ptmt -55.08 -33.17 62.55 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.217 -0.447 . . . . 74.05 110.862 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 2.9 tmpt? -67.68 -25.16 65.55 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.254 -0.43 . . . . 73.44 110.908 179.883 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -88.92 12.87 64.6 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.747 -0.739 . . . . 70.35 112.48 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.436 HG23 ' N ' ' A' ' 14' ' ' GLY . 0.0 OUTLIER -52.83 -42.21 41.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.913 0.387 . . . . 74.13 111.179 -179.963 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . 0.436 ' N ' HG23 ' A' ' 13' ' ' ILE . . . -55.22 -21.09 24.4 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.702 -0.761 . . . . 55.53 112.511 179.882 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -80.6 -21.68 41.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.82 0.343 . . . . 74.42 111.133 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 38.6 t -67.32 -21.18 27.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.207 -0.451 . . . . 62.23 111.113 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -108.01 -19.6 13.45 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.224 -0.444 . . . . 70.03 110.889 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 27.3 ttpt -70.87 -37.24 73.04 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.223 -0.444 . . . . 74.02 110.897 179.842 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 9.7 m -93.72 -31.07 4.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.167 -0.47 . . . . 74.23 111.159 179.877 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 4.1 mt -53.83 -23.23 11.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 74.44 110.876 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.5 m -72.57 -30.01 64.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 54.23 111.133 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 89.4 m -56.48 -24.84 48.61 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.189 -0.46 . . . . 74.14 111.171 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -119.49 -12.44 6.75 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.711 -0.757 . . . . 71.35 112.463 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 33.3 mt . . . . . 0 C--N 1.329 -0.32 0 CA-C-O 120.813 0.34 . . . . 75.2 110.912 -179.936 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.357 0 N-CA-C 112.521 -0.232 . . . . 70.02 112.521 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 3.4 mp -59.76 -25.19 31.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-O 120.904 0.383 . . . . 75.43 111.092 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -56.68 -17.78 21.84 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.735 -0.745 . . . . 74.52 112.538 179.884 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 1.2 pttp -81.18 -36.13 30.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.852 0.358 . . . . 63.11 110.904 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -80.96 -40.2 24.82 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.202 -0.454 . . . . 70.14 111.119 179.844 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.6 tt -68.6 -27.07 65.72 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.198 -0.456 . . . . 75.33 110.875 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -70.69 -40.17 73.05 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.208 -0.451 . . . . 73.53 110.884 179.845 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 2.1 pttp -80.73 -20.22 43.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.461 . . . . 72.45 110.92 179.865 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -67.92 -19.65 65.01 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.195 -0.457 . . . . 71.14 111.12 179.851 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.42 -31.51 48.18 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.191 -0.458 . . . . 75.45 110.934 179.94 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 2.1 pttt -89.97 -26.47 20.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.233 -0.44 . . . . 75.0 110.916 179.83 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -95.6 10.83 68.81 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.725 -0.75 . . . . 73.3 112.494 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.434 HG23 ' N ' ' A' ' 14' ' ' GLY . 0.0 OUTLIER -52.98 -42.23 43.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.881 0.372 . . . . 73.05 111.112 -179.929 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . 0.434 ' N ' HG23 ' A' ' 13' ' ' ILE . . . -55.18 -21.08 24.12 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.739 -0.743 . . . . 61.04 112.465 179.94 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -80.48 -21.79 41.67 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.801 0.334 . . . . 75.22 111.078 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 38.9 t -67.25 -21.25 27.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 73.2 111.12 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -107.94 -19.53 13.48 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.214 -0.448 . . . . 75.52 110.932 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 3.7 ttpp -70.98 -37.13 72.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.215 -0.448 . . . . 75.03 110.918 179.806 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 9.5 m -93.74 -31.15 4.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.223 -0.444 . . . . 74.12 111.093 179.873 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 4.1 mt -53.87 -23.13 11.58 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.209 -0.451 . . . . 72.35 110.9 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.5 m -72.79 -29.82 63.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 73.41 111.144 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 40.8 m -56.74 -24.64 51.23 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.253 -0.431 . . . . 73.41 111.16 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -119.93 -12.08 6.68 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.683 -0.77 . . . . 75.44 112.462 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 10.2 tt . . . . . 0 C--N 1.328 -0.349 0 CA-C-O 120.834 0.349 . . . . 72.41 110.896 -179.916 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 N-CA-C 112.475 -0.25 . . . . 63.34 112.475 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 41.3 mm -59.7 -24.82 30.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.859 0.362 . . . . 72.54 111.14 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -56.5 -18.2 22.05 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.732 -0.747 . . . . 64.5 112.517 179.914 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 14.3 ptmt -82.15 -35.22 28.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.76 0.314 . . . . 74.35 110.848 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -80.19 -40.1 27.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.281 -0.418 . . . . 74.44 111.064 179.854 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -68.22 -23.59 64.83 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.259 -0.428 . . . . 73.3 110.945 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -80.25 -28.77 38.4 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.13 -0.486 . . . . 71.33 110.873 179.831 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.57 -24.71 63.97 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.253 -0.431 . . . . 71.3 110.909 179.881 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.94 -25.77 67.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.26 -0.427 . . . . 53.43 111.098 179.818 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 3.7 ptmt -53.88 -31.87 51.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.226 -0.443 . . . . 75.42 110.888 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 5.7 mtmt -89.05 -25.35 21.99 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.209 -0.45 . . . . 75.33 110.874 179.902 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -89.23 6.99 83.06 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.742 -0.742 . . . . 72.04 112.464 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.422 HG23 ' N ' ' A' ' 14' ' ' GLY . 0.0 OUTLIER -52.99 -42.59 44.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.836 0.35 . . . . 75.42 111.113 -179.936 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . 0.422 ' N ' HG23 ' A' ' 13' ' ' ILE . . . -54.56 -20.86 19.05 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.681 -0.771 . . . . 70.32 112.476 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -73.76 -22.3 59.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.809 0.337 . . . . 74.42 111.089 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 3.8 p -63.7 -15.41 16.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.246 -0.434 . . . . 65.31 111.103 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -115.39 -24.81 8.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 75.41 110.895 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 25.9 ttmt -65.58 -45.85 81.67 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.198 -0.455 . . . . 75.2 110.905 179.813 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 14.2 m -86.13 -31.7 6.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.177 -0.465 . . . . 60.54 111.119 179.882 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -53.5 -23.14 9.52 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.187 -0.461 . . . . 75.22 110.91 179.936 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.4 m -72.1 -30.08 64.73 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.21 -0.45 . . . . 70.52 111.142 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 7.6 m -56.47 -24.4 45.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.45 . . . . 65.04 111.148 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -120.0 -12.66 6.34 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.74 -0.743 . . . . 61.12 112.473 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 1.4 tp . . . . . 0 C--N 1.328 -0.356 0 CA-C-O 120.83 0.348 . . . . 73.12 110.9 -179.899 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.37 0 N-CA-C 112.515 -0.234 . . . . 71.42 112.515 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . 0.404 ' O ' HG23 ' A' ' 2' ' ' ILE . 2.3 mp -59.8 -23.24 25.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 120.922 0.392 . . . . 73.23 111.138 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -56.49 -18.01 21.33 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.796 -0.716 . . . . 72.15 112.498 179.91 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.29 -35.97 30.41 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.84 0.352 . . . . 65.11 110.908 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -81.14 -40.23 24.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.176 -0.465 . . . . 73.34 111.122 179.828 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -66.1 -34.89 79.08 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.209 -0.45 . . . . 74.04 110.921 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 9.9 mttt -65.98 -40.32 91.12 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.181 -0.463 . . . . 74.05 110.88 179.873 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 4.1 pttp -80.5 -27.81 37.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.196 -0.457 . . . . 74.34 110.924 179.876 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.95 -20.1 55.66 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.209 -0.45 . . . . 71.2 111.081 179.832 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 11.0 ptmt -51.97 -33.33 37.33 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.24 -0.436 . . . . 73.43 110.834 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 6.7 pttp -76.21 -32.76 59.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.256 -0.429 . . . . 72.4 110.906 179.915 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -90.27 15.8 58.95 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.761 -0.733 . . . . 74.25 112.503 179.885 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.438 HG23 ' N ' ' A' ' 14' ' ' GLY . 0.0 OUTLIER -52.65 -42.75 41.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.857 0.36 . . . . 71.33 111.139 -179.942 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . 0.438 ' N ' HG23 ' A' ' 13' ' ' ILE . . . -53.39 -22.18 14.95 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.755 -0.735 . . . . 63.12 112.468 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -70.29 -25.84 63.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.766 0.317 . . . . 74.23 111.045 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 4.6 p -58.87 -21.36 18.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.275 -0.421 . . . . 72.0 111.111 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -109.26 -23.77 11.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 75.31 110.918 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 2.6 mmpt? -66.98 -41.03 87.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 75.42 110.92 179.799 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 11.7 m -89.54 -32.03 5.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 73.23 111.138 179.869 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 3.0 mt -52.04 -24.6 6.95 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.193 -0.458 . . . . 74.05 110.938 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 19.8 p -68.74 -33.58 74.16 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.193 -0.458 . . . . 75.21 111.165 179.914 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 94.7 m -51.49 -27.7 11.31 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.18 -0.464 . . . . 73.12 111.123 -179.924 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -119.12 -9.3 8.88 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.79 -0.719 . . . . 54.01 112.513 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 19.4 tp . . . . . 0 C--N 1.329 -0.309 0 CA-C-O 120.759 0.314 . . . . 74.34 110.902 -179.91 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.327 0 N-CA-C 112.527 -0.229 . . . . 73.34 112.527 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . 0.406 HG23 ' O ' ' A' ' 2' ' ' ILE . 2.5 mp -59.79 -22.98 25.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.847 0.356 . . . . 71.23 111.119 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -56.39 -18.24 21.43 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.709 -0.758 . . . . 73.13 112.498 179.902 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.96 -36.17 28.25 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.806 0.336 . . . . 72.54 110.88 -179.942 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -81.43 -35.27 30.85 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.212 -0.449 . . . . 64.21 111.148 179.792 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -77.16 -19.75 56.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.177 -0.465 . . . . 74.14 110.897 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 10.4 ttpt -80.13 -31.51 39.05 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.231 -0.44 . . . . 74.44 110.926 179.824 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.41 -24.51 39.61 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.444 . . . . 74.52 110.885 179.882 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -67.24 -19.96 65.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.226 -0.443 . . . . 73.45 111.082 179.845 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.82 -59.05 5.4 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.254 -0.43 . . . . 74.14 110.906 179.937 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -75.84 -23.3 55.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.231 -0.44 . . . . 73.14 110.912 179.85 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -86.31 8.55 73.77 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.764 -0.731 . . . . 64.5 112.529 179.898 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.437 HG23 ' N ' ' A' ' 14' ' ' GLY . 0.0 OUTLIER -52.95 -42.11 42.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.834 0.35 . . . . 75.53 111.117 -179.944 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . 0.437 ' N ' HG23 ' A' ' 13' ' ' ILE . . . -55.45 -20.87 25.03 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.759 -0.734 . . . . 73.21 112.486 179.918 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -82.26 -20.6 37.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.833 0.349 . . . . 73.05 111.125 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 21.6 t -68.13 -12.38 15.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 74.22 111.119 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -117.18 -24.59 7.43 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.185 -0.461 . . . . 73.31 110.93 179.911 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 30.9 ttmt -66.0 -45.69 80.68 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.207 -0.451 . . . . 75.51 110.939 179.781 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 13.1 m -86.87 -30.95 5.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.229 -0.441 . . . . 74.12 111.156 179.83 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -53.77 -23.0 10.55 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.209 -0.45 . . . . 74.52 110.919 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.4 m -71.83 -30.03 65.05 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.192 -0.458 . . . . 75.43 111.113 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 25.8 m -56.14 -24.75 42.93 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.251 -0.431 . . . . 71.22 111.17 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -119.21 -13.33 6.45 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.713 -0.756 . . . . 74.25 112.427 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.328 -0.334 0 CA-C-O 120.882 0.372 . . . . 75.43 110.908 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 2.2 mp . . . . . 0 C--O 1.23 0.071 0 CA-C-O 120.901 0.381 . . . . 53.219999999999999 111.182 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -56.79 -17.73 22.4 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.736 -0.745 . . . . 64.319999999999993 112.454 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 28.2 pttt -81.26 -36.0 30.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.747 0.308 . . . . 74.439999999999998 110.863 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -81.07 -40.29 24.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.258 -0.428 . . . . 74.209999999999994 111.127 179.785 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.562 HD13 ' O ' ' A' ' 6' ' ' LEU . 0.4 OUTLIER -65.95 -36.08 82.35 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.185 -0.461 . . . . 75.329999999999998 110.905 -179.971 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 13.9 mttt -66.05 -40.21 90.76 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.232 -0.44 . . . . 64.109999999999999 110.904 179.804 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 1.5 pttt -80.26 -27.69 38.55 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.238 -0.437 . . . . 71.409999999999997 110.894 179.847 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.86 -20.27 56.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.259 -0.428 . . . . 74.430000000000007 111.106 179.823 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 10.4 ptmm? -51.91 -33.34 36.6 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.221 -0.445 . . . . 72.230000000000004 110.86 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.207 -0.451 . . . . 45.200000000000003 110.855 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.458 -0.068 0 CA-C-O 120.866 0.365 . . . . 63.149999999999999 111.096 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -55.46 -20.83 24.97 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.794 -0.717 . . . . 70.310000000000002 112.48 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.712 ' O ' HG22 ' A' ' 19' ' ' VAL . . . -82.32 -20.59 37.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.807 0.337 . . . . 55.200000000000003 111.109 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.421 ' O ' HD23 ' A' ' 20' ' ' LEU . 21.6 t -68.13 -12.41 15.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.226 -0.443 . . . . 72.140000000000001 111.095 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 51.6 tp -117.18 -24.65 7.41 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.189 -0.46 . . . . 74.319999999999993 110.929 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 6.2 ttmt -66.03 -45.66 80.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.154 -0.475 . . . . 73.510000000000005 110.888 179.848 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.712 HG22 ' O ' ' A' ' 15' ' ' ALA . 13.1 m -86.89 -30.99 5.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.24 -0.437 . . . . 72.239999999999995 111.108 179.876 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.421 HD23 ' O ' ' A' ' 16' ' ' VAL . 0.7 OUTLIER -53.85 -22.88 10.74 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.212 -0.449 . . . . 73.219999999999999 110.884 -179.988 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.5 m -72.09 -29.95 64.61 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.191 -0.459 . . . . 53.32 111.134 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 6.5 m -56.39 -24.48 44.92 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.217 -0.447 . . . . 75.0 111.146 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -120.0 -12.67 6.33 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.721 -0.752 . . . . 21.399999999999999 112.476 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 2.8 tt . . . . . 0 C--N 1.328 -0.356 0 CA-C-O 120.803 0.335 . . . . 64.219999999999999 110.917 -179.941 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 2.3 mp . . . . . 0 N--CA 1.457 -0.095 0 CA-C-O 120.896 0.379 . . . . 63.310000000000002 111.134 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -56.73 -17.78 22.17 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.697 -0.763 . . . . 74.409999999999997 112.5 179.89 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 9.3 pttp -81.17 -36.08 30.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.799 0.333 . . . . 71.140000000000001 110.902 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -81.11 -40.08 24.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.193 -0.458 . . . . 61.5 111.064 179.859 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.44 HD23 ' C ' ' A' ' 6' ' ' LEU . 10.1 tt -65.65 -37.17 85.79 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.247 -0.433 . . . . 74.200000000000003 110.914 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 6.1 ttmm -64.98 -40.34 94.82 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.17 -0.468 . . . . 61.229999999999997 110.866 179.853 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 2.1 pttp -80.37 -26.64 38.52 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.233 -0.439 . . . . 73.329999999999998 110.936 179.867 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.85 -20.58 57.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.229 -0.441 . . . . 72.439999999999998 111.129 179.801 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 1.8 ptmm? -51.81 -32.91 33.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 71.400000000000006 110.889 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 10.6 mtmt . . . . . 0 C--N 1.328 -0.326 0 CA-C-N 116.162 -0.472 . . . . 74.219999999999999 110.917 179.854 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.404 HG23 ' N ' ' A' ' 14' ' ' GLY . 0.0 OUTLIER . . . . . 0 C--O 1.23 0.072 0 CA-C-O 120.837 0.351 . . . . 70.409999999999997 111.118 . . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 14' ' ' GLY . . . . . 0.404 ' N ' HG23 ' A' ' 13' ' ' ILE . . . -54.56 -21.59 21.66 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.688 -0.767 . . . . 72.109999999999999 112.478 179.924 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.639 ' O ' HG22 ' A' ' 19' ' ' VAL . . . -77.16 -24.17 51.55 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.843 0.354 . . . . 61.32 111.106 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 73.0 t -60.04 -37.03 71.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.198 -0.455 . . . . 71.010000000000005 111.134 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -92.46 -20.58 20.85 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.177 -0.465 . . . . 73.0 110.89 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 13.1 ttpt -66.72 -46.71 74.65 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.189 -0.46 . . . . 72.200000000000003 110.891 179.859 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.639 HG22 ' O ' ' A' ' 15' ' ' ALA . 11.8 m -83.59 -32.75 9.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.261 -0.427 . . . . 74.409999999999997 111.14 179.842 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 6.1 mt -53.92 -23.15 11.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.152 -0.476 . . . . 64.099999999999994 110.901 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.7 m -73.41 -28.78 62.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.234 -0.439 . . . . 62.450000000000003 111.152 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 5.1 m -57.08 -25.98 59.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 71.230000000000004 111.161 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -120.07 -10.35 7.54 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.744 -0.741 . . . . 65.310000000000002 112.456 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.329 -0.306 0 CA-C-O 120.846 0.355 . . . . 73.140000000000001 110.929 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 42.0 mm . . . . . 0 N--CA 1.458 -0.069 0 CA-C-O 120.828 0.347 . . . . 63.140000000000001 111.092 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -56.57 -17.92 21.62 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.739 -0.744 . . . . 41.119999999999997 112.487 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.46 -35.71 30.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.743 0.306 . . . . 75.219999999999999 110.869 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -81.19 -40.33 24.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.453 . . . . 33.5 111.106 179.849 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.557 HD13 ' O ' ' A' ' 6' ' ' LEU . 0.4 OUTLIER -65.94 -36.01 82.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.168 -0.469 . . . . 74.420000000000002 110.934 -179.961 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 4.5 ttpp -66.07 -40.24 90.7 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.192 -0.458 . . . . 75.120000000000005 110.878 179.803 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 8.5 ptmt -80.29 -27.8 38.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.187 -0.461 . . . . 72.019999999999996 110.891 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.83 -20.23 55.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.212 -0.449 . . . . 74.439999999999998 111.114 179.818 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 20.9 ptmt -51.58 -36.47 45.54 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.187 -0.461 . . . . 72.209999999999994 110.896 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.253 -0.43 . . . . 74.409999999999997 110.867 179.897 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.457 -0.097 0 CA-C-O 120.896 0.379 . . . . 70.510000000000005 111.174 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -55.3 -21.04 24.79 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.709 -0.757 . . . . 24.41 112.471 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.738 ' O ' HG22 ' A' ' 19' ' ' VAL . . . -80.88 -21.48 40.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.836 0.351 . . . . 72.219999999999999 111.105 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.45 ' O ' HD12 ' A' ' 20' ' ' LEU . 57.5 t -64.89 -21.87 30.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.202 -0.454 . . . . 72.129999999999995 111.127 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -106.83 -24.65 12.0 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.161 -0.472 . . . . 74.010000000000005 110.868 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 14.0 ttpt -64.97 -46.03 83.2 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.244 -0.434 . . . . 74.329999999999998 110.882 179.844 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.738 HG22 ' O ' ' A' ' 15' ' ' ALA . 11.6 m -84.0 -32.6 8.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.247 -0.433 . . . . 74.409999999999997 111.167 179.851 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.45 HD12 ' O ' ' A' ' 16' ' ' VAL . 3.6 mt -53.4 -23.72 10.48 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.181 -0.463 . . . . 75.140000000000001 110.896 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.5 m -72.32 -29.76 64.13 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.222 -0.444 . . . . 74.299999999999997 111.114 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 17.2 m -56.72 -24.68 51.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.282 -0.417 . . . . 75.340000000000003 111.147 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -120.04 -12.1 6.6 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.752 -0.737 . . . . 71.25 112.496 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 4.7 tp . . . . . 0 C--N 1.329 -0.322 0 CA-C-O 120.833 0.349 . . . . 44.140000000000001 110.917 -179.923 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 41.3 mm . . . . . 0 N--CA 1.458 -0.061 0 CA-C-O 120.888 0.375 . . . . 74.099999999999994 111.139 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -56.56 -18.02 21.87 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.737 -0.744 . . . . 71.019999999999996 112.486 179.901 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 14.0 ptmt -81.61 -36.91 28.4 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.8 0.333 . . . . 73.430000000000007 110.951 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 5' ' ' ALA . . . . . 0.456 ' O ' ' HB2' ' A' ' 9' ' ' ALA . . . -81.42 -34.28 31.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.153 -0.476 . . . . 72.430000000000007 111.053 179.816 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.571 HD23 ' O ' ' A' ' 6' ' ' LEU . 6.5 tt -72.62 -40.23 66.63 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.266 -0.424 . . . . 72.010000000000005 110.898 -179.94 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 4.2 mtmp? -73.89 -35.55 64.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.226 -0.443 . . . . 74.450000000000003 110.915 179.828 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.56 -23.83 39.65 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.198 -0.455 . . . . 71.200000000000003 110.907 179.845 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.456 ' HB2' ' O ' ' A' ' 5' ' ' ALA . . . -59.9 -23.58 63.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.221 -0.445 . . . . 43.009999999999998 111.098 179.807 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 15.2 ptmt -52.04 -32.64 35.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.253 -0.43 . . . . 55.25 110.888 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 6.1 ttpp . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.23 -0.441 . . . . 51.100000000000001 110.849 179.894 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.458 -0.07 0 CA-C-O 120.901 0.382 . . . . 75.25 111.168 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -55.28 -20.89 23.94 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.718 -0.753 . . . . 72.530000000000001 112.51 179.889 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.711 ' O ' HG22 ' A' ' 19' ' ' VAL . . . -77.88 -20.62 52.63 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.83 0.348 . . . . 73.030000000000001 111.095 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.425 ' O ' HD23 ' A' ' 20' ' ' LEU . 22.0 t -67.81 -12.6 15.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.449 . . . . 64.519999999999996 111.095 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -117.03 -24.36 7.6 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.217 -0.447 . . . . 75.329999999999998 110.912 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 3.9 ttmt -66.22 -45.61 80.11 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.179 -0.464 . . . . 72.109999999999999 110.889 179.88 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.711 HG22 ' O ' ' A' ' 15' ' ' ALA . 12.1 m -87.08 -31.05 5.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.226 -0.443 . . . . 73.310000000000002 111.142 179.851 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.425 HD23 ' O ' ' A' ' 16' ' ' VAL . 0.6 OUTLIER -52.86 -23.73 7.63 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.175 -0.466 . . . . 73.409999999999997 110.956 179.91 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.8 m -66.13 -28.49 68.83 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.2 -0.454 . . . . 74.109999999999999 111.152 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 78.5 p -51.59 -35.7 42.5 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.241 -0.436 . . . . 64.349999999999994 111.124 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -108.64 -13.94 17.22 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.741 -0.742 . . . . 65.129999999999995 112.495 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 8.1 tt . . . . . 0 C--N 1.328 -0.359 0 CA-C-O 120.832 0.349 . . . . 63.43 110.899 -179.906 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 41.4 mm . . . . . 0 C--O 1.23 0.05 0 CA-C-O 120.855 0.36 . . . . 71.109999999999999 111.146 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -56.53 -18.17 22.18 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.712 -0.756 . . . . 70.129999999999995 112.531 179.886 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 12.9 ptmt -81.93 -35.29 29.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.775 0.321 . . . . 55.200000000000003 110.868 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -80.38 -39.95 27.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.237 -0.438 . . . . 75.209999999999994 111.115 179.847 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -71.56 -20.33 62.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.224 -0.444 . . . . 71.439999999999998 110.932 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -80.13 -30.95 39.11 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 72.040000000000006 110.899 179.849 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -59.89 -25.57 65.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 43.299999999999997 110.896 179.91 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.04 -21.97 62.07 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.185 -0.461 . . . . 64.319999999999993 111.093 179.838 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -53.14 -28.66 27.11 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.272 -0.422 . . . . 74.409999999999997 110.862 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 116.218 -0.446 . . . . 72.310000000000002 110.836 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.458 -0.055 0 CA-C-O 120.848 0.356 . . . . 74.340000000000003 111.164 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -54.46 -21.94 22.12 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.74 -0.743 . . . . 33.140000000000001 112.509 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.721 ' O ' HG22 ' A' ' 19' ' ' VAL . . . -74.32 -22.26 59.34 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.795 0.331 . . . . 44.109999999999999 111.067 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.493 ' O ' HD12 ' A' ' 20' ' ' LEU . 22.0 t -66.88 -13.32 16.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.454 . . . . 74.319999999999993 111.127 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -114.04 -25.48 8.53 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.183 -0.462 . . . . 63.420000000000002 110.905 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 7.2 mmpt? -66.22 -40.57 90.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.195 -0.457 . . . . 63.229999999999997 110.895 179.837 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.721 HG22 ' O ' ' A' ' 15' ' ' ALA . 10.6 m -90.03 -31.37 5.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.261 -0.427 . . . . 53.229999999999997 111.16 179.877 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.493 HD12 ' O ' ' A' ' 16' ' ' VAL . 2.0 mt -53.64 -23.46 11.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.156 -0.474 . . . . 73.120000000000005 110.868 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.5 m -71.44 -29.78 65.27 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.214 -0.448 . . . . 70.299999999999997 111.135 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 39.8 m -56.37 -24.57 45.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.252 -0.431 . . . . 64.109999999999999 111.148 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -119.99 -12.75 6.3 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.712 -0.756 . . . . 65.140000000000001 112.484 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.328 -0.355 0 CA-C-O 120.823 0.344 . . . . 70.409999999999997 110.912 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 44.9 mm . . . . . 0 N--CA 1.458 -0.067 0 CA-C-O 120.883 0.373 . . . . 75.25 111.168 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -56.47 -17.92 20.92 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.731 -0.747 . . . . 74.140000000000001 112.478 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.467 ' CE ' ' HB2' ' A' ' 5' ' ' ALA . 0.0 OUTLIER -81.34 -37.29 28.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.813 0.34 . . . . 54.240000000000002 110.89 -179.924 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 5' ' ' ALA . . . . . 0.467 ' HB2' ' CE ' ' A' ' 4' ' ' LYS . . . -80.47 -38.95 28.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 51.329999999999998 111.12 179.795 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -72.78 -19.89 61.27 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.212 -0.449 . . . . 65.299999999999997 110.94 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 37.8 ttmt -80.0 -30.77 39.68 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.183 -0.462 . . . . 70.430000000000007 110.916 179.795 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 15.6 pttt -59.97 -25.97 65.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.225 -0.443 . . . . 74.299999999999997 110.892 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.01 -24.02 64.14 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.239 -0.437 . . . . 54.549999999999997 111.128 179.801 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 9.7 ptmt -55.36 -31.86 62.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.2 -0.454 . . . . 74.239999999999995 110.865 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 2.8 tmpt? . . . . . 0 C--N 1.328 -0.348 0 CA-C-N 116.251 -0.431 . . . . 71.310000000000002 110.872 179.867 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.458 -0.066 0 CA-C-O 120.877 0.37 . . . . 62.140000000000001 111.148 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -55.63 -20.77 25.84 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.696 -0.764 . . . . 64.430000000000007 112.474 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.709 ' O ' HG22 ' A' ' 19' ' ' VAL . . . -82.4 -20.42 37.15 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.799 0.333 . . . . 64.340000000000003 111.071 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.425 ' O ' HD23 ' A' ' 20' ' ' LEU . 21.6 t -67.99 -12.41 15.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.451 . . . . 55.409999999999997 111.157 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 38.7 tp -117.38 -24.8 7.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.154 -0.475 . . . . 71.439999999999998 110.91 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 13.9 ttpt -65.59 -46.05 80.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.148 -0.478 . . . . 71.530000000000001 110.906 179.824 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.709 HG22 ' O ' ' A' ' 15' ' ' ALA . 12.5 m -86.76 -31.09 6.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.227 -0.442 . . . . 75.109999999999999 111.142 179.836 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.425 HD23 ' O ' ' A' ' 16' ' ' VAL . 0.6 OUTLIER -52.75 -23.75 7.41 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.217 -0.447 . . . . 51.32 110.898 179.932 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.8 m -66.14 -28.63 68.94 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.19 -0.459 . . . . 74.109999999999999 111.12 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 77.6 p -51.59 -35.62 42.24 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.23 -0.441 . . . . 72.219999999999999 111.176 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -108.49 -14.09 17.07 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.746 -0.74 . . . . 71.209999999999994 112.476 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.328 -0.335 0 CA-C-O 120.852 0.358 . . . . 75.099999999999994 110.886 -179.871 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 40.6 mt . . . . . 0 N--CA 1.458 -0.063 0 CA-C-O 120.863 0.363 . . . . 74.140000000000001 111.111 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -56.67 -17.86 22.04 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.71 -0.757 . . . . 41.310000000000002 112.533 179.86 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 1.5 pttp -81.23 -36.14 30.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.763 0.316 . . . . 62.0 110.857 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -80.89 -40.17 25.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.251 -0.431 . . . . 61.399999999999999 111.146 179.795 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.417 HD23 ' C ' ' A' ' 6' ' ' LEU . 4.2 tt -68.71 -27.24 65.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 75.549999999999997 110.906 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 11.2 ttpp -70.55 -40.11 73.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.158 -0.474 . . . . 64.540000000000006 110.898 179.836 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 1.6 pttp -80.17 -21.55 42.93 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.215 -0.448 . . . . 63.450000000000003 110.916 179.88 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.35 -22.2 62.98 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.187 -0.46 . . . . 65.349999999999994 111.084 179.872 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.29 -28.48 28.29 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.266 -0.424 . . . . 64.319999999999993 110.884 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.251 -0.431 . . . . 75.430000000000007 110.892 179.9 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.401 HG23 ' N ' ' A' ' 14' ' ' GLY . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.085 0 CA-C-O 120.812 0.339 . . . . 72.109999999999999 111.12 . . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 14' ' ' GLY . . . . . 0.401 ' N ' HG23 ' A' ' 13' ' ' ILE . . . -54.53 -21.88 22.42 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.699 -0.762 . . . . 43.32 112.53 179.892 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.726 ' O ' HG22 ' A' ' 19' ' ' VAL . . . -74.45 -22.22 59.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.77 0.319 . . . . 52.229999999999997 111.06 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.501 ' O ' HD12 ' A' ' 20' ' ' LEU . 22.1 t -66.88 -13.39 16.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.238 -0.437 . . . . 53.240000000000002 111.13 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -113.94 -25.47 8.57 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.199 -0.455 . . . . 74.329999999999998 110.943 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -66.21 -40.67 90.49 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 71.329999999999998 110.903 179.838 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.726 HG22 ' O ' ' A' ' 15' ' ' ALA . 10.8 m -89.91 -31.43 5.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.203 -0.453 . . . . 41.549999999999997 111.169 179.884 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.501 HD12 ' O ' ' A' ' 16' ' ' VAL . 2.0 mt -53.55 -23.49 10.81 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.123 -0.49 . . . . 62.310000000000002 110.929 179.928 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.5 m -71.34 -29.8 65.42 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.175 -0.466 . . . . 64.239999999999995 111.209 179.912 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 4.4 m -56.28 -24.72 44.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.201 -0.454 . . . . 64.430000000000007 111.112 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -120.0 -12.64 6.35 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.746 -0.74 . . . . 53.130000000000003 112.493 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 7.8 tp . . . . . 0 C--N 1.328 -0.344 0 CA-C-O 120.823 0.344 . . . . 75.430000000000007 110.908 -179.923 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 2.6 mp . . . . . 0 C--O 1.23 0.07 0 CA-C-O 120.925 0.393 . . . . 64.230000000000004 111.138 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -56.27 -17.96 19.65 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.736 -0.745 . . . . 74.25 112.469 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.596 ' HE3' ' HB2' ' A' ' 5' ' ' ALA . 0.4 OUTLIER -81.31 -38.63 26.44 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.766 0.317 . . . . 75.540000000000006 110.882 -179.981 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 5' ' ' ALA . . . . . 0.596 ' HB2' ' HE3' ' A' ' 4' ' ' LYS . . . -81.2 -33.05 33.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.239 -0.437 . . . . 52.130000000000003 111.122 179.811 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.57 HD23 ' O ' ' A' ' 6' ' ' LEU . 6.4 tt -73.29 -40.35 64.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.454 . . . . 60.43 110.904 -179.932 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 8.0 mmtt -73.77 -35.31 64.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 61.329999999999998 110.901 179.824 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.57 -24.46 39.19 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.208 -0.451 . . . . 74.540000000000006 110.903 179.882 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.442 ' HB2' ' O ' ' A' ' 5' ' ' ALA . . . -59.92 -21.4 61.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 74.329999999999998 111.117 179.805 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -52.19 -32.47 36.37 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.196 -0.456 . . . . 70.010000000000005 110.855 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.262 -0.426 . . . . 63.009999999999998 110.877 179.885 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.4 HG23 ' N ' ' A' ' 14' ' ' GLY . 0.0 OUTLIER . . . . . 0 N--CA 1.457 -0.084 0 CA-C-O 120.921 0.391 . . . . 74.409999999999997 111.161 . . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 14' ' ' GLY . . . . . 0.4 ' N ' HG23 ' A' ' 13' ' ' ILE . . . -55.3 -20.98 24.55 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.752 -0.737 . . . . 63.020000000000003 112.471 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.724 ' O ' HG22 ' A' ' 19' ' ' VAL . . . -80.84 -21.66 40.6 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.849 0.357 . . . . 53.32 111.098 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.437 ' O ' HD12 ' A' ' 20' ' ' LEU . 25.2 t -67.24 -21.51 28.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.185 -0.461 . . . . 52.420000000000002 111.143 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -107.83 -19.44 13.52 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.164 -0.471 . . . . 72.129999999999995 110.928 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 3.8 ttpp -71.0 -37.21 72.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.45 . . . . 74.319999999999993 110.908 179.818 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.724 HG22 ' O ' ' A' ' 15' ' ' ALA . 9.9 m -93.64 -31.17 4.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.239 -0.437 . . . . 65.120000000000005 111.126 179.858 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.437 HD12 ' O ' ' A' ' 16' ' ' VAL . 4.2 mt -53.84 -23.2 11.62 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.15 -0.477 . . . . 75.230000000000004 110.899 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.5 m -72.79 -29.88 63.64 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.174 -0.466 . . . . 72.129999999999995 111.145 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 5.9 m -56.7 -24.65 50.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.26 -0.427 . . . . 75.319999999999993 111.169 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -119.95 -12.09 6.66 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.722 -0.751 . . . . 22.41 112.457 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.31 0 CA-C-O 120.86 0.362 . . . . 74.540000000000006 110.922 -179.901 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 2.2 mp . . . . . 0 N--CA 1.458 -0.048 0 CA-C-O 120.872 0.368 . . . . 52.119999999999997 111.144 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -56.45 -18.21 21.78 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.755 -0.736 . . . . 64.319999999999993 112.484 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.0 -35.41 28.92 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.759 0.314 . . . . 74.25 110.867 -179.925 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -80.42 -40.09 27.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.451 . . . . 75.319999999999993 111.078 179.809 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.426 HD13 ' O ' ' A' ' 6' ' ' LEU . 0.2 OUTLIER -70.89 -21.6 62.37 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.216 -0.447 . . . . 43.130000000000003 110.951 -179.977 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 8.1 mttt -80.14 -28.98 38.79 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.188 -0.46 . . . . 70.409999999999997 110.883 179.827 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 1.1 pttp -59.81 -25.46 64.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.244 -0.435 . . . . 71.25 110.916 179.866 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.01 -25.03 64.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.239 -0.437 . . . . 65.099999999999994 111.109 179.833 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.84 -33.42 36.09 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.219 -0.446 . . . . 60.299999999999997 110.923 179.914 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 5.0 tmmt? . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.21 -0.45 . . . . 74.230000000000004 110.887 179.894 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.23 0.072 0 CA-C-O 120.879 0.371 . . . . 70.230000000000004 111.083 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -55.64 -20.73 25.76 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.728 -0.749 . . . . 73.030000000000001 112.49 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.688 ' O ' HG22 ' A' ' 19' ' ' VAL . . . -83.4 -19.75 35.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.809 0.338 . . . . 72.400000000000006 111.081 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.415 ' O ' HD23 ' A' ' 20' ' ' LEU . 22.8 t -71.19 -14.36 17.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.212 -0.449 . . . . 74.549999999999997 111.173 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -118.02 -15.93 9.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.146 -0.479 . . . . 71.140000000000001 110.961 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 3.8 ttpp -74.17 -44.15 54.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 74.400000000000006 110.925 179.792 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.688 HG22 ' O ' ' A' ' 15' ' ' ALA . 11.7 m -89.56 -30.57 5.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.455 . . . . 62.329999999999998 111.134 179.865 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.415 HD23 ' O ' ' A' ' 16' ' ' VAL . 1.0 OUTLIER -53.62 -23.29 10.61 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.168 -0.469 . . . . 72.120000000000005 110.894 -179.996 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.4 m -69.92 -30.06 67.38 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.22 -0.445 . . . . 71.540000000000006 111.175 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 5.0 m -54.61 -26.51 33.2 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.218 -0.446 . . . . 60.409999999999997 111.114 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -114.49 -16.23 7.73 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.786 -0.721 . . . . 74.420000000000002 112.518 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 1.6 mm? . . . . . 0 C--N 1.328 -0.335 0 CA-C-O 120.86 0.362 . . . . 74.129999999999995 110.892 -179.915 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 2.8 mt . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.859 0.361 . . . . 64.230000000000004 111.153 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -56.66 -17.96 22.31 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.76 -0.733 . . . . 60.200000000000003 112.466 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.31 -35.87 30.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.809 0.338 . . . . 65.430000000000007 110.883 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -81.17 -40.24 24.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.175 -0.466 . . . . 71.319999999999993 111.062 179.9 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.541 HD13 ' O ' ' A' ' 6' ' ' LEU . 0.4 OUTLIER -65.29 -35.22 80.36 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.239 -0.437 . . . . 73.209999999999994 110.89 -179.942 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 1.3 mmtp -64.81 -40.49 95.3 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.213 -0.449 . . . . 64.030000000000001 110.898 179.82 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 11.8 pttp -80.51 -28.21 37.49 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.225 -0.443 . . . . 75.030000000000001 110.937 179.861 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.86 -28.36 67.46 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.212 -0.449 . . . . 72.150000000000006 111.134 179.807 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 18.9 ptmt -51.8 -33.81 37.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 60.130000000000003 110.891 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 4.0 ttpt . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.253 -0.43 . . . . 73.549999999999997 110.914 179.844 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.566 ' O ' HG12 ' A' ' 16' ' ' VAL . 0.0 OUTLIER . . . . . 0 C--O 1.23 0.078 0 CA-C-O 120.831 0.348 . . . . 73.299999999999997 111.126 . . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 14' ' ' GLY . . . . . 0.405 ' N ' HG23 ' A' ' 13' ' ' ILE . . . -53.17 -22.23 13.44 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.775 -0.726 . . . . 72.150000000000006 112.504 179.896 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.754 ' O ' HG22 ' A' ' 19' ' ' VAL . . . -70.0 -26.52 64.11 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.828 0.346 . . . . 64.420000000000002 111.097 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.566 HG12 ' O ' ' A' ' 13' ' ' ILE . 4.7 p -57.92 -22.93 19.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.231 -0.441 . . . . 75.5 111.137 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -107.22 -24.4 11.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 71.430000000000007 110.87 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.4 mmpt? -66.72 -40.33 88.36 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.234 -0.439 . . . . 64.400000000000006 110.88 179.862 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.754 HG22 ' O ' ' A' ' 15' ' ' ALA . 11.7 m -89.47 -32.12 5.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.215 -0.448 . . . . 74.319999999999993 111.09 179.924 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.432 HD12 ' O ' ' A' ' 16' ' ' VAL . 3.8 mt -53.73 -23.2 11.01 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.196 -0.456 . . . . 75.510000000000005 110.963 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.6 m -72.55 -29.36 63.49 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.464 . . . . 62.420000000000002 111.154 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 10.0 m -56.69 -25.14 53.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 63.32 111.201 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -119.99 -11.69 6.84 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.778 -0.725 . . . . 74.040000000000006 112.522 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 20.1 tp . . . . . 0 C--N 1.328 -0.327 0 CA-C-O 120.838 0.351 . . . . 72.109999999999999 110.919 -179.936 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 2.5 mp . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.858 0.361 . . . . 55.240000000000002 111.102 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -56.51 -18.16 22.03 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.686 -0.769 . . . . 54.329999999999998 112.487 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -81.72 -35.37 29.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.752 0.31 . . . . 65.209999999999994 110.901 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -80.43 -40.08 27.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.224 -0.444 . . . . 62.039999999999999 111.11 179.807 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -71.03 -21.23 62.3 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.252 -0.431 . . . . 74.409999999999997 110.959 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 9.6 mttt -80.08 -30.41 39.24 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 53.340000000000003 110.928 179.813 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 12.3 pttt -59.84 -23.84 63.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 62.219999999999999 110.894 179.851 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -71.24 -33.71 70.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.244 -0.435 . . . . 72.109999999999999 111.091 179.8 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 11.9 mttt -59.6 -52.48 65.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.223 -0.444 . . . . 65.209999999999994 110.879 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.228 -0.442 . . . . 73.230000000000004 110.867 179.905 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.847 0.356 . . . . 63.520000000000003 111.141 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -55.54 -20.81 25.45 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.761 -0.733 . . . . 65.329999999999998 112.444 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.718 ' O ' HG22 ' A' ' 19' ' ' VAL . . . -82.09 -20.71 37.6 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.811 0.338 . . . . 52.329999999999998 111.055 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.531 ' O ' HD12 ' A' ' 20' ' ' LEU . 21.6 t -67.88 -12.51 15.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.242 -0.436 . . . . 73.450000000000003 111.119 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -116.75 -25.26 7.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.469 . . . . 71.25 110.939 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 30.7 ttmt -65.18 -45.58 84.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 71.439999999999998 110.901 179.829 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.718 HG22 ' O ' ' A' ' 15' ' ' ALA . 11.9 m -86.43 -31.59 6.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.452 . . . . 75.319999999999993 111.119 179.921 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.531 HD12 ' O ' ' A' ' 16' ' ' VAL . 1.2 mt -51.84 -24.72 6.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 74.219999999999999 110.876 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.4 m -64.63 -30.54 71.56 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.226 -0.443 . . . . 64.439999999999998 111.159 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 59.9 p -51.51 -36.23 43.86 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.21 -0.45 . . . . 75.239999999999995 111.159 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -105.91 -15.2 19.05 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.719 -0.753 . . . . 65.310000000000002 112.466 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.488 ' O ' HD23 ' A' ' 24' ' ' LEU . 7.3 tt . . . . . 0 C--N 1.328 -0.347 0 CA-C-O 120.848 0.356 . . . . 62.240000000000002 110.916 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 45.2 mm . . . . . 0 N--CA 1.457 -0.093 0 CA-C-O 120.861 0.363 . . . . 72.140000000000001 111.119 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -56.48 -17.83 20.62 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.746 -0.74 . . . . 72.129999999999995 112.509 179.906 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.52 ' CE ' ' HB2' ' A' ' 5' ' ' ALA . 0.0 OUTLIER -81.38 -37.37 28.32 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.804 0.335 . . . . 71.400000000000006 110.902 -179.997 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 5' ' ' ALA . . . . . 0.52 ' HB2' ' CE ' ' A' ' 4' ' ' LYS . . . -80.47 -38.75 29.37 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.222 -0.445 . . . . 72.409999999999997 111.094 179.824 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -73.05 -19.83 61.1 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.239 -0.437 . . . . 73.340000000000003 110.9 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 30.4 ttpt -79.95 -30.92 39.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.165 -0.471 . . . . 70.120000000000005 110.872 179.873 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 5.6 pttt -59.94 -25.8 65.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.254 -0.43 . . . . 75.549999999999997 110.885 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.96 -23.04 63.26 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.227 -0.442 . . . . 73.310000000000002 111.117 179.81 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.8 -34.13 38.63 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.181 -0.463 . . . . 73.319999999999993 110.921 179.933 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 6.1 ttpt . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.186 -0.461 . . . . 65.349999999999994 110.865 179.926 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.401 HG23 ' N ' ' A' ' 14' ' ' GLY . 0.0 OUTLIER . . . . . 0 C--O 1.23 0.042 0 CA-C-O 120.904 0.383 . . . . 72.099999999999994 111.124 . . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 14' ' ' GLY . . . . . 0.401 ' N ' HG23 ' A' ' 13' ' ' ILE . . . -53.05 -24.64 21.54 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.768 -0.73 . . . . 72.420000000000002 112.516 179.938 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.558 ' O ' HG22 ' A' ' 19' ' ' VAL . . . -69.36 -24.1 63.85 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.868 0.366 . . . . 75.430000000000007 111.116 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.45 ' O ' HD23 ' A' ' 20' ' ' LEU . 21.5 t -66.99 -12.03 14.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 73.409999999999997 111.122 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 27.2 tp -112.63 -26.0 8.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.137 -0.483 . . . . 73.019999999999996 110.906 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.2 mtmt -64.15 -46.11 85.53 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.174 -0.466 . . . . 73.549999999999997 110.933 179.802 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.558 HG22 ' O ' ' A' ' 15' ' ' ALA . 11.7 m -84.81 -32.08 7.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.207 -0.452 . . . . 73.450000000000003 111.093 179.891 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.45 HD23 ' O ' ' A' ' 16' ' ' VAL . 0.7 OUTLIER -53.83 -23.11 11.26 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.174 -0.466 . . . . 73.239999999999995 110.919 -179.983 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.6 m -71.95 -29.25 64.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.466 . . . . 73.150000000000006 111.139 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 61.1 m -56.56 -25.15 51.36 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.171 -0.468 . . . . 73.120000000000005 111.149 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -120.04 -11.97 6.67 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.74 -0.743 . . . . 60.140000000000001 112.481 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.328 -0.339 0 CA-C-O 120.826 0.346 . . . . 75.209999999999994 110.922 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 41.2 mm . . . . . 0 N--CA 1.457 -0.093 0 CA-C-O 120.927 0.394 . . . . 75.420000000000002 111.145 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -56.59 -17.99 21.93 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.761 -0.733 . . . . 73.409999999999997 112.445 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.3 -35.95 30.4 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.798 0.333 . . . . 73.030000000000001 110.917 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -81.15 -40.29 24.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.219 -0.446 . . . . 60.399999999999999 111.093 179.812 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.43 HD23 ' C ' ' A' ' 6' ' ' LEU . 9.4 tt -65.75 -36.57 83.93 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.267 -0.424 . . . . 64.129999999999995 110.87 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 1.8 tpmt? -65.56 -40.29 92.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.224 -0.443 . . . . 63.310000000000002 110.871 179.887 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.3 -26.56 38.8 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.205 -0.452 . . . . 73.25 110.922 179.874 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.94 -20.79 59.45 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.232 -0.44 . . . . 51.039999999999999 111.088 179.819 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 17.1 ptmt -51.87 -32.98 34.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.209 -0.451 . . . . 51.109999999999999 110.883 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 6.1 ttpp . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.233 -0.44 . . . . 73.510000000000005 110.891 179.894 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.404 HG23 ' N ' ' A' ' 14' ' ' GLY . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.805 0.336 . . . . 75.5 111.125 . . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 14' ' ' GLY . . . . . 0.404 ' N ' HG23 ' A' ' 13' ' ' ILE . . . -55.22 -21.06 24.35 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.749 -0.738 . . . . 73.120000000000005 112.475 179.909 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.726 ' O ' HG22 ' A' ' 19' ' ' VAL . . . -80.65 -21.69 41.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.886 0.375 . . . . 75.430000000000007 111.131 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.438 ' O ' HD12 ' A' ' 20' ' ' LEU . 26.2 t -67.44 -20.86 27.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.159 -0.473 . . . . 65.420000000000002 111.126 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -108.56 -19.31 13.49 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.192 -0.458 . . . . 75.140000000000001 110.914 179.933 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 3.7 ttpp -70.9 -37.98 72.99 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.219 -0.446 . . . . 72.409999999999997 110.91 179.823 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.726 HG22 ' O ' ' A' ' 15' ' ' ALA . 8.7 m -93.21 -31.27 4.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.24 -0.436 . . . . 65.349999999999994 111.147 179.859 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.438 HD12 ' O ' ' A' ' 16' ' ' VAL . 3.8 mt -52.99 -23.76 8.01 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.134 -0.485 . . . . 64.040000000000006 110.924 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 2.0 m -66.18 -27.69 68.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 75.340000000000003 111.136 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.501 HG22 ' O ' ' A' ' 19' ' ' VAL . 6.1 t -52.54 -32.56 41.29 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.194 -0.457 . . . . 71.299999999999997 111.131 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -109.86 -15.07 12.42 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.765 -0.731 . . . . 64.140000000000001 112.527 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 2.9 tp . . . . . 0 C--N 1.329 -0.3 0 CA-C-O 120.873 0.368 . . . . 63.439999999999998 110.898 -179.925 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 45.7 mm . . . . . 0 C--O 1.23 0.066 0 CA-C-O 120.837 0.351 . . . . 55.439999999999998 111.136 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -56.54 -17.91 21.35 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.72 -0.752 . . . . 64.109999999999999 112.421 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.473 ' CE ' ' HB2' ' A' ' 5' ' ' ALA . 0.0 OUTLIER -81.29 -37.25 28.73 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.79 0.329 . . . . 73.319999999999993 110.888 -179.969 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 5' ' ' ALA . . . . . 0.473 ' HB2' ' CE ' ' A' ' 4' ' ' LYS . . . -80.44 -39.25 28.56 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.225 -0.443 . . . . 54.149999999999999 111.114 179.831 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -72.15 -19.98 61.68 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.229 -0.442 . . . . 74.010000000000005 110.948 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 3.5 ttmt -80.14 -30.89 39.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.183 -0.462 . . . . 71.150000000000006 110.91 179.841 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 15.8 pttt -59.84 -25.68 65.2 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.218 -0.446 . . . . 73.540000000000006 110.927 179.825 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.87 -22.43 62.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.214 -0.448 . . . . 44.119999999999997 111.131 179.806 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.09 -28.73 26.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.211 -0.45 . . . . 54.32 110.895 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 5.2 mtmt . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.213 -0.449 . . . . 62.420000000000002 110.933 179.863 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.457 -0.11 0 CA-C-O 120.891 0.377 . . . . 72.140000000000001 111.15 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -55.5 -20.77 24.94 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.708 -0.758 . . . . 74.129999999999995 112.474 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.711 ' O ' HG22 ' A' ' 19' ' ' VAL . . . -82.31 -20.7 36.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.811 0.339 . . . . 70.140000000000001 111.079 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.409 ' O ' HD23 ' A' ' 20' ' ' LEU . 21.6 t -68.76 -12.53 16.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.199 -0.455 . . . . 64.299999999999997 111.141 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -117.36 -22.69 8.12 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.18 -0.464 . . . . 74.109999999999999 110.914 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 15.6 tppt? -68.04 -45.01 75.13 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.224 -0.444 . . . . 54.549999999999997 110.882 179.838 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.711 HG22 ' O ' ' A' ' 15' ' ' ALA . 12.7 m -87.67 -30.79 5.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 63.240000000000002 111.09 179.884 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.409 HD23 ' O ' ' A' ' 16' ' ' VAL . 0.8 OUTLIER -53.96 -22.97 11.52 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.231 -0.44 . . . . 73.230000000000004 110.912 179.993 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.5 m -72.09 -29.84 64.5 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.204 -0.453 . . . . 63.350000000000001 111.17 179.903 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 15.4 m -56.46 -24.6 46.71 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.216 -0.447 . . . . 53.420000000000002 111.134 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -120.01 -12.48 6.43 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.773 -0.727 . . . . 72.450000000000003 112.467 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 6.4 tt . . . . . 0 C--N 1.328 -0.335 0 CA-C-O 120.794 0.33 . . . . 71.040000000000006 110.969 -179.954 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 41.2 mm . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.842 0.353 . . . . 75.409999999999997 111.141 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -56.38 -18.37 21.79 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.712 -0.756 . . . . 52.310000000000002 112.494 179.895 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -82.24 -36.21 27.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.762 0.315 . . . . 72.140000000000001 110.904 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -80.63 -34.72 34.76 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.257 -0.429 . . . . 61.520000000000003 111.076 179.827 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.559 HD12 ' O ' ' A' ' 6' ' ' LEU . 10.6 tp -74.51 -29.92 61.6 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.215 -0.448 . . . . 70.319999999999993 110.946 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -79.27 -19.67 49.97 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.157 -0.474 . . . . 71.430000000000007 110.953 179.789 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 27.3 pttt -59.67 -26.07 65.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.454 . . . . 72.019999999999996 110.887 179.867 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.95 -21.93 61.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.241 -0.436 . . . . 72.439999999999998 111.098 179.824 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 1.5 ptmt -52.87 -29.58 28.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.238 -0.437 . . . . 70.230000000000004 110.849 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.248 -0.433 . . . . 72.349999999999994 110.87 179.909 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.458 -0.073 0 CA-C-O 120.824 0.345 . . . . 61.32 111.122 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -55.59 -20.73 25.4 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.763 -0.732 . . . . 63.25 112.52 179.9 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.689 ' O ' HG22 ' A' ' 19' ' ' VAL . . . -83.16 -19.9 35.73 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.811 0.339 . . . . 72.209999999999994 111.086 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 23.6 t -71.08 -14.34 17.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.183 -0.462 . . . . 53.030000000000001 111.166 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -117.87 -16.16 9.96 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.132 -0.485 . . . . 73.010000000000005 110.93 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 19.8 ttpp -74.12 -44.11 55.03 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.188 -0.46 . . . . 72.430000000000007 110.872 179.846 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.689 HG22 ' O ' ' A' ' 15' ' ' ALA . 11.9 m -89.42 -30.6 5.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.249 -0.432 . . . . 74.530000000000001 111.11 179.917 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -54.09 -22.84 11.92 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.455 . . . . 33.039999999999999 110.916 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.5 m -72.57 -29.69 63.76 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.216 -0.447 . . . . 75.329999999999998 111.157 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 9.8 m -56.63 -24.81 50.74 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.212 -0.449 . . . . 74.409999999999997 111.133 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -119.99 -12.01 6.68 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.725 -0.75 . . . . 63.149999999999999 112.479 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.328 -0.337 0 CA-C-O 120.851 0.357 . . . . 72.519999999999996 110.9 -179.922 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 40.2 mt . . . . . 0 N--CA 1.457 -0.096 0 CA-C-O 120.895 0.378 . . . . 72.439999999999998 111.164 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 3' ' ' GLY . . . . . 0.511 ' HA2' HD23 ' A' ' 6' ' ' LEU . . . -56.6 -18.09 22.42 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.706 -0.759 . . . . 45.030000000000001 112.506 179.89 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 13.1 ptmt -81.99 -34.6 29.59 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.812 0.339 . . . . 72.239999999999995 110.885 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -80.94 -40.89 23.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.451 . . . . 61.140000000000001 111.117 179.851 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.528 HD12 ' O ' ' A' ' 6' ' ' LEU . 0.3 OUTLIER -71.21 -25.96 62.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.446 . . . . 52.100000000000001 110.926 -179.971 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 7.6 ttpt -73.25 -37.15 66.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 74.230000000000004 110.879 179.834 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 1.6 pttp -80.17 -24.16 40.54 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.248 -0.433 . . . . 70.120000000000005 110.91 179.875 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.87 -23.53 63.51 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.221 -0.445 . . . . 63.229999999999997 111.116 179.806 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 16.6 ptmt -55.08 -33.17 62.55 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.217 -0.447 . . . . 71.409999999999997 110.862 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 2.9 tmpt? . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.254 -0.43 . . . . 70.109999999999999 110.908 179.883 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.401 HG23 ' N ' ' A' ' 14' ' ' GLY . 0.0 OUTLIER . . . . . 0 N--CA 1.457 -0.118 0 CA-C-O 120.913 0.387 . . . . 74.129999999999995 111.179 . . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 14' ' ' GLY . . . . . 0.401 ' N ' HG23 ' A' ' 13' ' ' ILE . . . -55.22 -21.09 24.4 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.702 -0.761 . . . . 55.530000000000001 112.511 179.882 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.74 ' O ' HG22 ' A' ' 19' ' ' VAL . . . -80.6 -21.68 41.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.82 0.343 . . . . 64.109999999999999 111.133 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.433 ' O ' HD12 ' A' ' 20' ' ' LEU . 38.6 t -67.32 -21.18 27.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.207 -0.451 . . . . 62.229999999999997 111.113 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -108.01 -19.6 13.45 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.224 -0.444 . . . . 61.409999999999997 110.889 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 27.3 ttpt -70.87 -37.24 73.04 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.223 -0.444 . . . . 74.019999999999996 110.897 179.842 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.74 HG22 ' O ' ' A' ' 15' ' ' ALA . 9.7 m -93.72 -31.07 4.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.167 -0.47 . . . . 74.230000000000004 111.159 179.877 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.529 ' HB3' HD12 ' A' ' 24' ' ' LEU . 4.1 mt -53.83 -23.23 11.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 74.439999999999998 110.876 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.5 m -72.57 -30.01 64.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 41.509999999999998 111.133 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 89.4 m -56.48 -24.84 48.61 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.189 -0.46 . . . . 55.109999999999999 111.171 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -119.49 -12.44 6.75 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.711 -0.757 . . . . 71.349999999999994 112.463 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.529 HD12 ' HB3' ' A' ' 20' ' ' LEU . 33.3 mt . . . . . 0 C--N 1.329 -0.32 0 CA-C-O 120.813 0.34 . . . . 75.200000000000003 110.912 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 3.4 mp . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.904 0.383 . . . . 50.119999999999997 111.092 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -56.68 -17.78 21.84 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.735 -0.745 . . . . 74.519999999999996 112.538 179.884 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 1.2 pttp -81.18 -36.13 30.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.852 0.358 . . . . 42.130000000000003 110.904 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -80.96 -40.2 24.82 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.202 -0.454 . . . . 62.25 111.119 179.844 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.406 HD23 ' C ' ' A' ' 6' ' ' LEU . 3.6 tt -68.6 -27.07 65.72 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.198 -0.456 . . . . 74.510000000000005 110.875 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -70.69 -40.17 73.05 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.208 -0.451 . . . . 71.200000000000003 110.884 179.845 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 2.1 pttp -80.73 -20.22 43.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.461 . . . . 63.219999999999999 110.92 179.865 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -67.92 -19.65 65.01 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.195 -0.457 . . . . 53.439999999999998 111.12 179.851 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.42 -31.51 48.18 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.191 -0.458 . . . . 75.450000000000003 110.934 179.94 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 2.1 pttt . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.233 -0.44 . . . . 75.0 110.916 179.83 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.23 0.065 0 CA-C-O 120.881 0.372 . . . . 43.329999999999998 111.112 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -55.18 -21.08 24.12 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.739 -0.743 . . . . 61.039999999999999 112.465 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.738 ' O ' HG22 ' A' ' 19' ' ' VAL . . . -80.48 -21.79 41.67 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.801 0.334 . . . . 42.229999999999997 111.078 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.43 ' O ' HD12 ' A' ' 20' ' ' LEU . 38.9 t -67.25 -21.25 27.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 61.229999999999997 111.12 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -107.94 -19.53 13.48 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.214 -0.448 . . . . 75.519999999999996 110.932 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 3.7 ttpp -70.98 -37.13 72.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.215 -0.448 . . . . 75.030000000000001 110.918 179.806 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.738 HG22 ' O ' ' A' ' 15' ' ' ALA . 9.5 m -93.74 -31.15 4.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.223 -0.444 . . . . 33.539999999999999 111.093 179.873 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.43 HD12 ' O ' ' A' ' 16' ' ' VAL . 4.1 mt -53.87 -23.13 11.58 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.209 -0.451 . . . . 72.349999999999994 110.9 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.5 m -72.79 -29.82 63.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 61.030000000000001 111.144 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 40.8 m -56.74 -24.64 51.23 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.253 -0.431 . . . . 65.239999999999995 111.16 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -119.93 -12.08 6.68 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.683 -0.77 . . . . 75.439999999999998 112.462 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 10.2 tt . . . . . 0 C--N 1.328 -0.349 0 CA-C-O 120.834 0.349 . . . . 72.409999999999997 110.896 -179.916 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 41.3 mm . . . . . 0 N--CA 1.457 -0.098 0 CA-C-O 120.859 0.362 . . . . 72.540000000000006 111.14 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -56.5 -18.2 22.05 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.732 -0.747 . . . . 64.5 112.517 179.914 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 14.3 ptmt -82.15 -35.22 28.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.76 0.314 . . . . 72.400000000000006 110.848 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -80.19 -40.1 27.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.281 -0.418 . . . . 74.439999999999998 111.064 179.854 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.435 HD13 ' O ' ' A' ' 6' ' ' LEU . 0.2 OUTLIER -68.22 -23.59 64.83 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.259 -0.428 . . . . 73.25 110.945 -179.97 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -80.25 -28.77 38.4 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.13 -0.486 . . . . 71.239999999999995 110.873 179.831 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.57 -24.71 63.97 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.253 -0.431 . . . . 71.299999999999997 110.909 179.881 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.94 -25.77 67.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.26 -0.427 . . . . 43.200000000000003 111.098 179.818 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 3.7 ptmt -53.88 -31.87 51.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.226 -0.443 . . . . 75.420000000000002 110.888 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 5.7 mtmt . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.209 -0.45 . . . . 71.200000000000003 110.874 179.902 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.574 ' O ' HG12 ' A' ' 16' ' ' VAL . 0.0 OUTLIER . . . . . 0 N--CA 1.457 -0.089 0 CA-C-O 120.836 0.35 . . . . 75.420000000000002 111.113 . . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -54.56 -20.86 19.05 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.681 -0.771 . . . . 25.510000000000002 112.476 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.726 ' O ' HG22 ' A' ' 19' ' ' VAL . . . -73.76 -22.3 59.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.809 0.337 . . . . 42.100000000000001 111.089 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.574 HG12 ' O ' ' A' ' 13' ' ' ILE . 3.8 p -63.7 -15.41 16.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.246 -0.434 . . . . 65.310000000000002 111.103 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -115.39 -24.81 8.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 74.430000000000007 110.895 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 25.9 ttmt -65.58 -45.85 81.67 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.198 -0.455 . . . . 75.200000000000003 110.905 179.813 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.726 HG22 ' O ' ' A' ' 15' ' ' ALA . 14.2 m -86.13 -31.7 6.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.177 -0.465 . . . . 60.539999999999999 111.119 179.882 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.436 HD23 ' O ' ' A' ' 16' ' ' VAL . 0.8 OUTLIER -53.5 -23.14 9.52 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.187 -0.461 . . . . 73.409999999999997 110.91 179.936 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.4 m -72.1 -30.08 64.73 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.21 -0.45 . . . . 70.519999999999996 111.142 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 7.6 m -56.47 -24.4 45.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.45 . . . . 41.439999999999998 111.148 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -120.0 -12.66 6.34 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.74 -0.743 . . . . 61.119999999999997 112.473 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 1.4 tp . . . . . 0 C--N 1.328 -0.356 0 CA-C-O 120.83 0.348 . . . . 73.120000000000005 110.9 -179.899 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 2.3 mp . . . . . 0 N--CA 1.458 -0.072 0 CA-C-O 120.922 0.392 . . . . 64.450000000000003 111.138 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -56.49 -18.01 21.33 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.796 -0.716 . . . . 71.049999999999997 112.498 179.91 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.29 -35.97 30.41 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.84 0.352 . . . . 44.439999999999998 110.908 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -81.14 -40.23 24.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.176 -0.465 . . . . 40.100000000000001 111.122 179.828 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.563 HD13 ' O ' ' A' ' 6' ' ' LEU . 0.4 OUTLIER -66.1 -34.89 79.08 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.209 -0.45 . . . . 73.239999999999995 110.921 -179.982 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 9.9 mttt -65.98 -40.32 91.12 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.181 -0.463 . . . . 74.049999999999997 110.88 179.873 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 4.1 pttp -80.5 -27.81 37.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.196 -0.457 . . . . 74.340000000000003 110.924 179.876 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.95 -20.1 55.66 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.209 -0.45 . . . . 52.109999999999999 111.081 179.832 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 11.0 ptmt -51.97 -33.33 37.33 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.24 -0.436 . . . . 73.430000000000007 110.834 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 6.7 pttp . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.256 -0.429 . . . . 64.540000000000006 110.906 179.915 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.571 ' O ' HG12 ' A' ' 16' ' ' VAL . 0.0 OUTLIER . . . . . 0 C--O 1.23 0.065 0 CA-C-O 120.857 0.36 . . . . 71.329999999999998 111.139 . . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 14' ' ' GLY . . . . . 0.408 ' N ' HG23 ' A' ' 13' ' ' ILE . . . -53.39 -22.18 14.95 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.755 -0.735 . . . . 63.119999999999997 112.468 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.73 ' O ' HG22 ' A' ' 19' ' ' VAL . . . -70.29 -25.84 63.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.766 0.317 . . . . 74.230000000000004 111.045 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.571 HG12 ' O ' ' A' ' 13' ' ' ILE . 4.6 p -58.87 -21.36 18.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.275 -0.421 . . . . 72.0 111.111 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -109.26 -23.77 11.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 75.310000000000002 110.918 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 2.6 mmpt? -66.98 -41.03 87.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 72.010000000000005 110.92 179.799 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.73 HG22 ' O ' ' A' ' 15' ' ' ALA . 11.7 m -89.54 -32.03 5.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 73.230000000000004 111.138 179.869 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.44 HD12 ' O ' ' A' ' 16' ' ' VAL . 3.0 mt -52.04 -24.6 6.95 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.193 -0.458 . . . . 74.049999999999997 110.938 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 19.8 p -68.74 -33.58 74.16 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.193 -0.458 . . . . 75.209999999999994 111.165 179.914 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 94.7 m -51.49 -27.7 11.31 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.18 -0.464 . . . . 73.120000000000005 111.123 -179.924 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -119.12 -9.3 8.88 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.79 -0.719 . . . . 52.409999999999997 112.513 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 19.4 tp . . . . . 0 C--N 1.329 -0.309 0 CA-C-O 120.759 0.314 . . . . 74.340000000000003 110.902 -179.91 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 2.5 mp . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.847 0.356 . . . . 54.130000000000003 111.119 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -56.39 -18.24 21.43 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.709 -0.758 . . . . 73.129999999999995 112.498 179.902 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.96 -36.17 28.25 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.806 0.336 . . . . 64.450000000000003 110.88 -179.942 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -81.43 -35.27 30.85 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.212 -0.449 . . . . 51.229999999999997 111.148 179.792 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -77.16 -19.75 56.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.177 -0.465 . . . . 65.420000000000002 110.897 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 10.4 ttpt -80.13 -31.51 39.05 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.231 -0.44 . . . . 73.209999999999994 110.926 179.824 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.41 -24.51 39.61 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.444 . . . . 71.219999999999999 110.885 179.882 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -67.24 -19.96 65.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.226 -0.443 . . . . 53.130000000000003 111.082 179.845 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.82 -59.05 5.4 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.254 -0.43 . . . . 51.119999999999997 110.906 179.937 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.231 -0.44 . . . . 71.439999999999998 110.912 179.85 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.834 0.35 . . . . 75.530000000000001 111.117 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -55.45 -20.87 25.03 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.759 -0.734 . . . . 70.109999999999999 112.486 179.918 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.718 ' O ' HG22 ' A' ' 19' ' ' VAL . . . -82.26 -20.6 37.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.833 0.349 . . . . 73.049999999999997 111.125 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.425 ' O ' HD23 ' A' ' 20' ' ' LEU . 21.6 t -68.13 -12.38 15.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 74.109999999999999 111.119 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -117.18 -24.59 7.43 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.185 -0.461 . . . . 70.010000000000005 110.93 179.911 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 30.9 ttmt -66.0 -45.69 80.68 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.207 -0.451 . . . . 63.32 110.939 179.781 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.718 HG22 ' O ' ' A' ' 15' ' ' ALA . 13.1 m -86.87 -30.95 5.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.229 -0.441 . . . . 65.329999999999998 111.156 179.83 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.425 HD23 ' O ' ' A' ' 16' ' ' VAL . 0.7 OUTLIER -53.77 -23.0 10.55 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.209 -0.45 . . . . 74.099999999999994 110.919 179.983 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.4 m -71.83 -30.03 65.05 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.192 -0.458 . . . . 65.450000000000003 111.113 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 25.8 m -56.14 -24.75 42.93 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.251 -0.431 . . . . 65.150000000000006 111.17 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -119.21 -13.33 6.45 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.713 -0.756 . . . . 72.230000000000004 112.427 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.328 -0.334 0 CA-C-O 120.882 0.372 . . . . 75.430000000000007 110.908 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.363 0 N-CA-C 112.467 -0.253 . . . . 72.049999999999997 112.467 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 2.2 mp -59.77 -25.27 31.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.901 0.381 . . . . 53.219999999999999 111.182 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -56.79 -17.73 22.4 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.736 -0.745 . . . . 64.319999999999993 112.454 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 28.2 pttt -81.26 -36.0 30.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.747 0.308 . . . . 74.439999999999998 110.863 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -81.07 -40.29 24.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.258 -0.428 . . . . 74.209999999999994 111.127 179.785 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.562 HD13 ' O ' ' A' ' 6' ' ' LEU . 0.4 OUTLIER -65.95 -36.08 82.35 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.185 -0.461 . . . . 75.329999999999998 110.905 -179.971 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 13.9 mttt -66.05 -40.21 90.76 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.232 -0.44 . . . . 64.109999999999999 110.904 179.804 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 1.5 pttt -80.26 -27.69 38.55 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.238 -0.437 . . . . 71.409999999999997 110.894 179.847 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.86 -20.27 56.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.259 -0.428 . . . . 74.430000000000007 111.106 179.823 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 10.4 ptmm? -51.91 -33.34 36.6 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.221 -0.445 . . . . 72.230000000000004 110.86 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -75.86 -33.0 59.99 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.207 -0.451 . . . . 45.200000000000003 110.855 179.911 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -90.5 16.0 58.83 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.708 -0.758 . . . . 74.140000000000001 112.5 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -52.83 -42.21 42.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.866 0.365 . . . . 63.149999999999999 111.096 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -55.46 -20.83 24.97 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.794 -0.717 . . . . 70.310000000000002 112.48 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.712 ' O ' HG22 ' A' ' 19' ' ' VAL . . . -82.32 -20.59 37.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.807 0.337 . . . . 55.200000000000003 111.109 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.421 ' O ' HD23 ' A' ' 20' ' ' LEU . 21.6 t -68.13 -12.41 15.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.226 -0.443 . . . . 72.140000000000001 111.095 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 51.6 tp -117.18 -24.65 7.41 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.189 -0.46 . . . . 74.319999999999993 110.929 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 6.2 ttmt -66.03 -45.66 80.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.154 -0.475 . . . . 73.510000000000005 110.888 179.848 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.712 HG22 ' O ' ' A' ' 15' ' ' ALA . 13.1 m -86.89 -30.99 5.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.24 -0.437 . . . . 72.239999999999995 111.108 179.876 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.421 HD23 ' O ' ' A' ' 16' ' ' VAL . 0.7 OUTLIER -53.85 -22.88 10.74 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.212 -0.449 . . . . 73.219999999999999 110.884 -179.988 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.5 m -72.09 -29.95 64.61 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.191 -0.459 . . . . 53.32 111.134 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 6.5 m -56.39 -24.48 44.92 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.217 -0.447 . . . . 75.0 111.146 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -120.0 -12.67 6.33 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.721 -0.752 . . . . 21.399999999999999 112.476 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 2.8 tt . . . . . 0 C--N 1.328 -0.356 0 CA-C-O 120.803 0.335 . . . . 64.219999999999999 110.917 -179.941 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.31 0 N-CA-C 112.466 -0.253 . . . . 70.219999999999999 112.466 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 2.3 mp -59.82 -25.29 31.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.896 0.379 . . . . 63.310000000000002 111.134 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -56.73 -17.78 22.17 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.697 -0.763 . . . . 74.409999999999997 112.5 179.89 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 9.3 pttp -81.17 -36.08 30.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.799 0.333 . . . . 71.140000000000001 110.902 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -81.11 -40.08 24.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.193 -0.458 . . . . 61.5 111.064 179.859 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.44 HD23 ' C ' ' A' ' 6' ' ' LEU . 10.1 tt -65.65 -37.17 85.79 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.247 -0.433 . . . . 74.200000000000003 110.914 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 6.1 ttmm -64.98 -40.34 94.82 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.17 -0.468 . . . . 61.229999999999997 110.866 179.853 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 2.1 pttp -80.37 -26.64 38.52 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.233 -0.439 . . . . 73.329999999999998 110.936 179.867 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.85 -20.58 57.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.229 -0.441 . . . . 72.439999999999998 111.129 179.801 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 1.8 ptmm? -51.81 -32.91 33.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 71.400000000000006 110.889 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 10.6 mtmt -87.97 -25.57 23.09 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.162 -0.472 . . . . 74.219999999999999 110.917 179.854 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -90.73 6.84 81.95 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.725 -0.75 . . . . 63.299999999999997 112.472 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.404 HG23 ' N ' ' A' ' 14' ' ' GLY . 0.0 OUTLIER -52.86 -42.28 42.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.837 0.351 . . . . 70.409999999999997 111.118 -179.965 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 14' ' ' GLY . . . . . 0.404 ' N ' HG23 ' A' ' 13' ' ' ILE . . . -54.56 -21.59 21.66 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.688 -0.767 . . . . 72.109999999999999 112.478 179.924 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.639 ' O ' HG22 ' A' ' 19' ' ' VAL . . . -77.16 -24.17 51.55 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.843 0.354 . . . . 61.32 111.106 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 73.0 t -60.04 -37.03 71.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.198 -0.455 . . . . 71.010000000000005 111.134 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -92.46 -20.58 20.85 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.177 -0.465 . . . . 73.0 110.89 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 13.1 ttpt -66.72 -46.71 74.65 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.189 -0.46 . . . . 72.200000000000003 110.891 179.859 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.639 HG22 ' O ' ' A' ' 15' ' ' ALA . 11.8 m -83.59 -32.75 9.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.261 -0.427 . . . . 74.409999999999997 111.14 179.842 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 6.1 mt -53.92 -23.15 11.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.152 -0.476 . . . . 64.099999999999994 110.901 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.7 m -73.41 -28.78 62.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.234 -0.439 . . . . 62.450000000000003 111.152 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 5.1 m -57.08 -25.98 59.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 71.230000000000004 111.161 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -120.07 -10.35 7.54 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.744 -0.741 . . . . 65.310000000000002 112.456 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.329 -0.306 0 CA-C-O 120.846 0.355 . . . . 73.140000000000001 110.929 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 N-CA-C 112.433 -0.267 . . . . 35.140000000000001 112.433 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 42.0 mm -59.76 -23.52 26.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.828 0.347 . . . . 63.140000000000001 111.092 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -56.57 -17.92 21.62 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.739 -0.744 . . . . 41.119999999999997 112.487 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.46 -35.71 30.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.743 0.306 . . . . 75.219999999999999 110.869 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -81.19 -40.33 24.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.453 . . . . 33.5 111.106 179.849 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.557 HD13 ' O ' ' A' ' 6' ' ' LEU . 0.4 OUTLIER -65.94 -36.01 82.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.168 -0.469 . . . . 74.420000000000002 110.934 -179.961 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 4.5 ttpp -66.07 -40.24 90.7 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.192 -0.458 . . . . 75.120000000000005 110.878 179.803 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 8.5 ptmt -80.29 -27.8 38.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.187 -0.461 . . . . 72.019999999999996 110.891 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.83 -20.23 55.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.212 -0.449 . . . . 74.439999999999998 111.114 179.818 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 20.9 ptmt -51.58 -36.47 45.54 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.187 -0.461 . . . . 72.209999999999994 110.896 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.11 -32.84 63.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.253 -0.43 . . . . 74.409999999999997 110.867 179.897 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -90.71 16.62 57.7 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.729 -0.748 . . . . 62.219999999999999 112.485 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -52.7 -42.23 40.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-O 120.896 0.379 . . . . 70.510000000000005 111.174 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -55.3 -21.04 24.79 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.709 -0.757 . . . . 24.41 112.471 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.738 ' O ' HG22 ' A' ' 19' ' ' VAL . . . -80.88 -21.48 40.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.836 0.351 . . . . 72.219999999999999 111.105 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.45 ' O ' HD12 ' A' ' 20' ' ' LEU . 57.5 t -64.89 -21.87 30.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.202 -0.454 . . . . 72.129999999999995 111.127 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -106.83 -24.65 12.0 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.161 -0.472 . . . . 74.010000000000005 110.868 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 14.0 ttpt -64.97 -46.03 83.2 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.244 -0.434 . . . . 74.329999999999998 110.882 179.844 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.738 HG22 ' O ' ' A' ' 15' ' ' ALA . 11.6 m -84.0 -32.6 8.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.247 -0.433 . . . . 74.409999999999997 111.167 179.851 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.45 HD12 ' O ' ' A' ' 16' ' ' VAL . 3.6 mt -53.4 -23.72 10.48 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.181 -0.463 . . . . 75.140000000000001 110.896 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.5 m -72.32 -29.76 64.13 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.222 -0.444 . . . . 74.299999999999997 111.114 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 17.2 m -56.72 -24.68 51.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.282 -0.417 . . . . 75.340000000000003 111.147 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -120.04 -12.1 6.6 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.752 -0.737 . . . . 71.25 112.496 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 4.7 tp . . . . . 0 C--N 1.329 -0.322 0 CA-C-O 120.833 0.349 . . . . 44.140000000000001 110.917 -179.923 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.304 0 N-CA-C 112.482 -0.247 . . . . 64.099999999999994 112.482 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 41.3 mm -59.83 -24.59 29.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 120.888 0.375 . . . . 74.099999999999994 111.139 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -56.56 -18.02 21.87 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.737 -0.744 . . . . 71.019999999999996 112.486 179.901 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 14.0 ptmt -81.61 -36.91 28.4 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.8 0.333 . . . . 73.430000000000007 110.951 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' ALA . . . . . 0.456 ' O ' ' HB2' ' A' ' 9' ' ' ALA . . . -81.42 -34.28 31.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.153 -0.476 . . . . 72.430000000000007 111.053 179.816 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.571 HD23 ' O ' ' A' ' 6' ' ' LEU . 6.5 tt -72.62 -40.23 66.63 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.266 -0.424 . . . . 72.010000000000005 110.898 -179.94 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 4.2 mtmp? -73.89 -35.55 64.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.226 -0.443 . . . . 74.450000000000003 110.915 179.828 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.56 -23.83 39.65 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.198 -0.455 . . . . 71.200000000000003 110.907 179.845 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.456 ' HB2' ' O ' ' A' ' 5' ' ' ALA . . . -59.9 -23.58 63.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.221 -0.445 . . . . 43.009999999999998 111.098 179.807 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 15.2 ptmt -52.04 -32.64 35.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.253 -0.43 . . . . 55.25 110.888 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 6.1 ttpp -85.43 -27.33 25.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.23 -0.441 . . . . 51.100000000000001 110.849 179.894 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -86.12 7.84 76.26 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.743 -0.742 . . . . 33.020000000000003 112.515 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -53.03 -42.3 44.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-O 120.901 0.382 . . . . 75.25 111.168 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -55.28 -20.89 23.94 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.718 -0.753 . . . . 72.530000000000001 112.51 179.889 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.711 ' O ' HG22 ' A' ' 19' ' ' VAL . . . -77.88 -20.62 52.63 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.83 0.348 . . . . 73.030000000000001 111.095 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.425 ' O ' HD23 ' A' ' 20' ' ' LEU . 22.0 t -67.81 -12.6 15.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.449 . . . . 64.519999999999996 111.095 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -117.03 -24.36 7.6 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.217 -0.447 . . . . 75.329999999999998 110.912 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 3.9 ttmt -66.22 -45.61 80.11 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.179 -0.464 . . . . 72.109999999999999 110.889 179.88 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.711 HG22 ' O ' ' A' ' 15' ' ' ALA . 12.1 m -87.08 -31.05 5.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.226 -0.443 . . . . 73.310000000000002 111.142 179.851 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.425 HD23 ' O ' ' A' ' 16' ' ' VAL . 0.6 OUTLIER -52.86 -23.73 7.63 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.175 -0.466 . . . . 73.409999999999997 110.956 179.91 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.8 m -66.13 -28.49 68.83 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.2 -0.454 . . . . 74.109999999999999 111.152 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 78.5 p -51.59 -35.7 42.5 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.241 -0.436 . . . . 64.349999999999994 111.124 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -108.64 -13.94 17.22 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.741 -0.742 . . . . 65.129999999999995 112.495 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 8.1 tt . . . . . 0 C--N 1.328 -0.359 0 CA-C-O 120.832 0.349 . . . . 63.43 110.899 -179.906 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.272 0 N-CA-C 112.495 -0.242 . . . . 54.149999999999999 112.495 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 41.4 mm -59.79 -25.1 31.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.855 0.36 . . . . 71.109999999999999 111.146 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -56.53 -18.17 22.18 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.712 -0.756 . . . . 70.129999999999995 112.531 179.886 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 12.9 ptmt -81.93 -35.29 29.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.775 0.321 . . . . 55.200000000000003 110.868 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -80.38 -39.95 27.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.237 -0.438 . . . . 75.209999999999994 111.115 179.847 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -71.56 -20.33 62.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.224 -0.444 . . . . 71.439999999999998 110.932 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -80.13 -30.95 39.11 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 72.040000000000006 110.899 179.849 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -59.89 -25.57 65.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 43.299999999999997 110.896 179.91 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.04 -21.97 62.07 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.185 -0.461 . . . . 64.319999999999993 111.093 179.838 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -53.14 -28.66 27.11 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.272 -0.422 . . . . 74.409999999999997 110.862 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.49 -32.66 48.35 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.218 -0.446 . . . . 72.310000000000002 110.836 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -90.02 15.04 60.42 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.758 -0.734 . . . . 54.240000000000002 112.532 179.911 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -52.94 -42.57 44.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.848 0.356 . . . . 74.340000000000003 111.164 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -54.46 -21.94 22.12 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.74 -0.743 . . . . 33.140000000000001 112.509 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.721 ' O ' HG22 ' A' ' 19' ' ' VAL . . . -74.32 -22.26 59.34 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.795 0.331 . . . . 44.109999999999999 111.067 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.493 ' O ' HD12 ' A' ' 20' ' ' LEU . 22.0 t -66.88 -13.32 16.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.454 . . . . 74.319999999999993 111.127 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -114.04 -25.48 8.53 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.183 -0.462 . . . . 63.420000000000002 110.905 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 7.2 mmpt? -66.22 -40.57 90.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.195 -0.457 . . . . 63.229999999999997 110.895 179.837 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.721 HG22 ' O ' ' A' ' 15' ' ' ALA . 10.6 m -90.03 -31.37 5.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.261 -0.427 . . . . 53.229999999999997 111.16 179.877 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.493 HD12 ' O ' ' A' ' 16' ' ' VAL . 2.0 mt -53.64 -23.46 11.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.156 -0.474 . . . . 73.120000000000005 110.868 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.5 m -71.44 -29.78 65.27 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.214 -0.448 . . . . 70.299999999999997 111.135 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 39.8 m -56.37 -24.57 45.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.252 -0.431 . . . . 64.109999999999999 111.148 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -119.99 -12.75 6.3 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.712 -0.756 . . . . 65.140000000000001 112.484 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.328 -0.355 0 CA-C-O 120.823 0.344 . . . . 70.409999999999997 110.912 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.35 0 N-CA-C 112.475 -0.25 . . . . 74.109999999999999 112.475 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 44.9 mm -59.69 -20.54 19.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.883 0.373 . . . . 75.25 111.168 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -56.47 -17.92 20.92 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.731 -0.747 . . . . 74.140000000000001 112.478 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.467 ' CE ' ' HB2' ' A' ' 5' ' ' ALA . 0.0 OUTLIER -81.34 -37.29 28.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.813 0.34 . . . . 54.240000000000002 110.89 -179.924 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 5' ' ' ALA . . . . . 0.467 ' HB2' ' CE ' ' A' ' 4' ' ' LYS . . . -80.47 -38.95 28.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 51.329999999999998 111.12 179.795 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -72.78 -19.89 61.27 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.212 -0.449 . . . . 65.299999999999997 110.94 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 37.8 ttmt -80.0 -30.77 39.68 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.183 -0.462 . . . . 70.430000000000007 110.916 179.795 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 15.6 pttt -59.97 -25.97 65.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.225 -0.443 . . . . 74.299999999999997 110.892 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.01 -24.02 64.14 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.239 -0.437 . . . . 54.549999999999997 111.128 179.801 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 9.7 ptmt -55.36 -31.86 62.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.2 -0.454 . . . . 74.239999999999995 110.865 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 2.8 tmpt? -70.35 -25.55 63.33 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.251 -0.431 . . . . 71.310000000000002 110.872 179.867 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -88.85 12.71 64.96 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.742 -0.742 . . . . 74.409999999999997 112.539 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -52.99 -42.09 43.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.877 0.37 . . . . 62.140000000000001 111.148 -179.926 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -55.63 -20.77 25.84 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.696 -0.764 . . . . 64.430000000000007 112.474 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.709 ' O ' HG22 ' A' ' 19' ' ' VAL . . . -82.4 -20.42 37.15 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.799 0.333 . . . . 64.340000000000003 111.071 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.425 ' O ' HD23 ' A' ' 20' ' ' LEU . 21.6 t -67.99 -12.41 15.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.451 . . . . 55.409999999999997 111.157 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 38.7 tp -117.38 -24.8 7.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.154 -0.475 . . . . 71.439999999999998 110.91 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 13.9 ttpt -65.59 -46.05 80.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.148 -0.478 . . . . 71.530000000000001 110.906 179.824 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.709 HG22 ' O ' ' A' ' 15' ' ' ALA . 12.5 m -86.76 -31.09 6.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.227 -0.442 . . . . 75.109999999999999 111.142 179.836 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.425 HD23 ' O ' ' A' ' 16' ' ' VAL . 0.6 OUTLIER -52.75 -23.75 7.41 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.217 -0.447 . . . . 51.32 110.898 179.932 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.8 m -66.14 -28.63 68.94 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.19 -0.459 . . . . 74.109999999999999 111.12 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 77.6 p -51.59 -35.62 42.24 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.23 -0.441 . . . . 72.219999999999999 111.176 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -108.49 -14.09 17.07 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.746 -0.74 . . . . 71.209999999999994 112.476 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.328 -0.335 0 CA-C-O 120.852 0.358 . . . . 75.099999999999994 110.886 -179.871 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.301 0 N-CA-C 112.487 -0.245 . . . . 72.109999999999999 112.487 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 40.6 mt -59.92 -25.1 31.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-O 120.863 0.363 . . . . 74.140000000000001 111.111 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -56.67 -17.86 22.04 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.71 -0.757 . . . . 41.310000000000002 112.533 179.86 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 1.5 pttp -81.23 -36.14 30.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.763 0.316 . . . . 62.0 110.857 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -80.89 -40.17 25.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.251 -0.431 . . . . 61.399999999999999 111.146 179.795 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.417 HD23 ' C ' ' A' ' 6' ' ' LEU . 4.2 tt -68.71 -27.24 65.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 75.549999999999997 110.906 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 11.2 ttpp -70.55 -40.11 73.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.158 -0.474 . . . . 64.540000000000006 110.898 179.836 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 1.6 pttp -80.17 -21.55 42.93 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.215 -0.448 . . . . 63.450000000000003 110.916 179.88 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.35 -22.2 62.98 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.187 -0.46 . . . . 65.349999999999994 111.084 179.872 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.29 -28.48 28.29 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.266 -0.424 . . . . 64.319999999999993 110.884 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -77.73 -32.65 52.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.251 -0.431 . . . . 75.430000000000007 110.892 179.9 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -90.31 15.52 59.7 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.708 -0.758 . . . . 64.0 112.501 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.401 HG23 ' N ' ' A' ' 14' ' ' GLY . 0.0 OUTLIER -52.99 -42.55 44.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-O 120.812 0.339 . . . . 72.109999999999999 111.12 -179.988 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 14' ' ' GLY . . . . . 0.401 ' N ' HG23 ' A' ' 13' ' ' ILE . . . -54.53 -21.88 22.42 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.699 -0.762 . . . . 43.32 112.53 179.892 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.726 ' O ' HG22 ' A' ' 19' ' ' VAL . . . -74.45 -22.22 59.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.77 0.319 . . . . 52.229999999999997 111.06 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.501 ' O ' HD12 ' A' ' 20' ' ' LEU . 22.1 t -66.88 -13.39 16.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.238 -0.437 . . . . 53.240000000000002 111.13 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -113.94 -25.47 8.57 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.199 -0.455 . . . . 74.329999999999998 110.943 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -66.21 -40.67 90.49 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 71.329999999999998 110.903 179.838 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.726 HG22 ' O ' ' A' ' 15' ' ' ALA . 10.8 m -89.91 -31.43 5.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.203 -0.453 . . . . 41.549999999999997 111.169 179.884 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.501 HD12 ' O ' ' A' ' 16' ' ' VAL . 2.0 mt -53.55 -23.49 10.81 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.123 -0.49 . . . . 62.310000000000002 110.929 179.928 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.5 m -71.34 -29.8 65.42 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.175 -0.466 . . . . 64.239999999999995 111.209 179.912 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 4.4 m -56.28 -24.72 44.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.201 -0.454 . . . . 64.430000000000007 111.112 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -120.0 -12.64 6.35 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.746 -0.74 . . . . 53.130000000000003 112.493 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 7.8 tp . . . . . 0 C--N 1.328 -0.344 0 CA-C-O 120.823 0.344 . . . . 75.430000000000007 110.908 -179.923 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.258 0 N-CA-C 112.488 -0.245 . . . . 44.25 112.488 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 2.6 mp -59.88 -19.86 18.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 120.925 0.393 . . . . 64.230000000000004 111.138 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -56.27 -17.96 19.65 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.736 -0.745 . . . . 74.25 112.469 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.596 ' HE3' ' HB2' ' A' ' 5' ' ' ALA . 0.4 OUTLIER -81.31 -38.63 26.44 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.766 0.317 . . . . 75.540000000000006 110.882 -179.981 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 5' ' ' ALA . . . . . 0.596 ' HB2' ' HE3' ' A' ' 4' ' ' LYS . . . -81.2 -33.05 33.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.239 -0.437 . . . . 52.130000000000003 111.122 179.811 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.57 HD23 ' O ' ' A' ' 6' ' ' LEU . 6.4 tt -73.29 -40.35 64.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.454 . . . . 60.43 110.904 -179.932 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 8.0 mmtt -73.77 -35.31 64.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 61.329999999999998 110.901 179.824 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.57 -24.46 39.19 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.208 -0.451 . . . . 74.540000000000006 110.903 179.882 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.442 ' HB2' ' O ' ' A' ' 5' ' ' ALA . . . -59.92 -21.4 61.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 74.329999999999998 111.117 179.805 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -52.19 -32.47 36.37 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.196 -0.456 . . . . 70.010000000000005 110.855 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -76.7 -32.72 58.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.262 -0.426 . . . . 63.009999999999998 110.877 179.885 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -90.3 15.52 59.67 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.748 -0.739 . . . . 52.409999999999997 112.47 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.4 HG23 ' N ' ' A' ' 14' ' ' GLY . 0.0 OUTLIER -52.78 -42.27 41.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-O 120.921 0.391 . . . . 74.409999999999997 111.161 179.96 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 14' ' ' GLY . . . . . 0.4 ' N ' HG23 ' A' ' 13' ' ' ILE . . . -55.3 -20.98 24.55 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.752 -0.737 . . . . 63.020000000000003 112.471 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.724 ' O ' HG22 ' A' ' 19' ' ' VAL . . . -80.84 -21.66 40.6 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.849 0.357 . . . . 53.32 111.098 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.437 ' O ' HD12 ' A' ' 20' ' ' LEU . 25.2 t -67.24 -21.51 28.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.185 -0.461 . . . . 52.420000000000002 111.143 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -107.83 -19.44 13.52 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.164 -0.471 . . . . 72.129999999999995 110.928 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 3.8 ttpp -71.0 -37.21 72.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.45 . . . . 74.319999999999993 110.908 179.818 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.724 HG22 ' O ' ' A' ' 15' ' ' ALA . 9.9 m -93.64 -31.17 4.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.239 -0.437 . . . . 65.120000000000005 111.126 179.858 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.437 HD12 ' O ' ' A' ' 16' ' ' VAL . 4.2 mt -53.84 -23.2 11.62 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.15 -0.477 . . . . 75.230000000000004 110.899 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.5 m -72.79 -29.88 63.64 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.174 -0.466 . . . . 72.129999999999995 111.145 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 5.9 m -56.7 -24.65 50.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.26 -0.427 . . . . 75.319999999999993 111.169 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -119.95 -12.09 6.66 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.722 -0.751 . . . . 22.41 112.457 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.31 0 CA-C-O 120.86 0.362 . . . . 74.540000000000006 110.922 -179.901 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.271 0 N-CA-C 112.466 -0.254 . . . . 65.540000000000006 112.466 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 2.2 mp -59.82 -23.57 26.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.872 0.368 . . . . 52.119999999999997 111.144 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -56.45 -18.21 21.78 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.755 -0.736 . . . . 64.319999999999993 112.484 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.0 -35.41 28.92 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.759 0.314 . . . . 74.25 110.867 -179.925 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -80.42 -40.09 27.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.451 . . . . 75.319999999999993 111.078 179.809 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.426 HD13 ' O ' ' A' ' 6' ' ' LEU . 0.2 OUTLIER -70.89 -21.6 62.37 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.216 -0.447 . . . . 43.130000000000003 110.951 -179.977 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 8.1 mttt -80.14 -28.98 38.79 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.188 -0.46 . . . . 70.409999999999997 110.883 179.827 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 1.1 pttp -59.81 -25.46 64.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.244 -0.435 . . . . 71.25 110.916 179.866 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.01 -25.03 64.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.239 -0.437 . . . . 65.099999999999994 111.109 179.833 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.84 -33.42 36.09 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.219 -0.446 . . . . 60.299999999999997 110.923 179.914 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 5.0 tmmt? -60.91 -40.88 94.8 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.21 -0.45 . . . . 74.230000000000004 110.887 179.894 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -93.01 24.36 24.99 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.699 -0.762 . . . . 61.399999999999999 112.485 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -52.04 -42.07 33.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.879 0.371 . . . . 70.230000000000004 111.083 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -55.64 -20.73 25.76 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.728 -0.749 . . . . 73.030000000000001 112.49 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.688 ' O ' HG22 ' A' ' 19' ' ' VAL . . . -83.4 -19.75 35.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.809 0.338 . . . . 72.400000000000006 111.081 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.415 ' O ' HD23 ' A' ' 20' ' ' LEU . 22.8 t -71.19 -14.36 17.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.212 -0.449 . . . . 74.549999999999997 111.173 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -118.02 -15.93 9.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.146 -0.479 . . . . 71.140000000000001 110.961 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 3.8 ttpp -74.17 -44.15 54.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 74.400000000000006 110.925 179.792 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.688 HG22 ' O ' ' A' ' 15' ' ' ALA . 11.7 m -89.56 -30.57 5.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.455 . . . . 62.329999999999998 111.134 179.865 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.415 HD23 ' O ' ' A' ' 16' ' ' VAL . 1.0 OUTLIER -53.62 -23.29 10.61 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.168 -0.469 . . . . 72.120000000000005 110.894 -179.996 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.4 m -69.92 -30.06 67.38 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.22 -0.445 . . . . 71.540000000000006 111.175 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 5.0 m -54.61 -26.51 33.2 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.218 -0.446 . . . . 60.409999999999997 111.114 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -114.49 -16.23 7.73 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.786 -0.721 . . . . 74.420000000000002 112.518 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 1.6 mm? . . . . . 0 C--N 1.328 -0.335 0 CA-C-O 120.86 0.362 . . . . 74.129999999999995 110.892 -179.915 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.345 0 N-CA-C 112.492 -0.243 . . . . 52.340000000000003 112.492 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 2.8 mt -59.76 -23.4 26.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 120.859 0.361 . . . . 64.230000000000004 111.153 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -56.66 -17.96 22.31 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.76 -0.733 . . . . 60.200000000000003 112.466 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.31 -35.87 30.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.809 0.338 . . . . 65.430000000000007 110.883 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -81.17 -40.24 24.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.175 -0.466 . . . . 71.319999999999993 111.062 179.9 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.541 HD13 ' O ' ' A' ' 6' ' ' LEU . 0.4 OUTLIER -65.29 -35.22 80.36 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.239 -0.437 . . . . 73.209999999999994 110.89 -179.942 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 1.3 mmtp -64.81 -40.49 95.3 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.213 -0.449 . . . . 64.030000000000001 110.898 179.82 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 11.8 pttp -80.51 -28.21 37.49 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.225 -0.443 . . . . 75.030000000000001 110.937 179.861 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.86 -28.36 67.46 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.212 -0.449 . . . . 72.150000000000006 111.134 179.807 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 18.9 ptmt -51.8 -33.81 37.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 60.130000000000003 110.891 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 4.0 ttpt -84.24 -27.73 27.73 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.253 -0.43 . . . . 73.549999999999997 110.914 179.844 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -87.92 7.87 79.83 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.777 -0.725 . . . . 74.530000000000001 112.479 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.566 ' O ' HG12 ' A' ' 16' ' ' VAL . 0.0 OUTLIER -52.02 -42.63 34.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.831 0.348 . . . . 73.299999999999997 111.126 -179.959 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 14' ' ' GLY . . . . . 0.405 ' N ' HG23 ' A' ' 13' ' ' ILE . . . -53.17 -22.23 13.44 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.775 -0.726 . . . . 72.150000000000006 112.504 179.896 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.754 ' O ' HG22 ' A' ' 19' ' ' VAL . . . -70.0 -26.52 64.11 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.828 0.346 . . . . 64.420000000000002 111.097 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.566 HG12 ' O ' ' A' ' 13' ' ' ILE . 4.7 p -57.92 -22.93 19.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.231 -0.441 . . . . 75.5 111.137 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -107.22 -24.4 11.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 71.430000000000007 110.87 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.4 mmpt? -66.72 -40.33 88.36 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.234 -0.439 . . . . 64.400000000000006 110.88 179.862 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.754 HG22 ' O ' ' A' ' 15' ' ' ALA . 11.7 m -89.47 -32.12 5.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.215 -0.448 . . . . 74.319999999999993 111.09 179.924 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.432 HD12 ' O ' ' A' ' 16' ' ' VAL . 3.8 mt -53.73 -23.2 11.01 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.196 -0.456 . . . . 75.510000000000005 110.963 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.6 m -72.55 -29.36 63.49 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.464 . . . . 62.420000000000002 111.154 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 10.0 m -56.69 -25.14 53.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 63.32 111.201 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -119.99 -11.69 6.84 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.778 -0.725 . . . . 74.040000000000006 112.522 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 20.1 tp . . . . . 0 C--N 1.328 -0.327 0 CA-C-O 120.838 0.351 . . . . 72.109999999999999 110.919 -179.936 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 N-CA-C 112.476 -0.249 . . . . 54.350000000000001 112.476 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 2.5 mp -59.72 -25.47 32.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-O 120.858 0.361 . . . . 55.240000000000002 111.102 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -56.51 -18.16 22.03 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.686 -0.769 . . . . 54.329999999999998 112.487 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -81.72 -35.37 29.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.752 0.31 . . . . 65.209999999999994 110.901 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -80.43 -40.08 27.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.224 -0.444 . . . . 62.039999999999999 111.11 179.807 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -71.03 -21.23 62.3 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.252 -0.431 . . . . 74.409999999999997 110.959 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 9.6 mttt -80.08 -30.41 39.24 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 53.340000000000003 110.928 179.813 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 12.3 pttt -59.84 -23.84 63.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 62.219999999999999 110.894 179.851 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -71.24 -33.71 70.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.244 -0.435 . . . . 72.109999999999999 111.091 179.8 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 11.9 mttt -59.6 -52.48 65.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.223 -0.444 . . . . 65.209999999999994 110.879 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -70.64 -29.58 65.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.228 -0.442 . . . . 73.230000000000004 110.867 179.905 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -90.35 15.76 59.18 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.729 -0.748 . . . . 60.229999999999997 112.511 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -52.87 -42.11 42.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.847 0.356 . . . . 63.520000000000003 111.141 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -55.54 -20.81 25.45 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.761 -0.733 . . . . 65.329999999999998 112.444 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.718 ' O ' HG22 ' A' ' 19' ' ' VAL . . . -82.09 -20.71 37.6 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.811 0.338 . . . . 52.329999999999998 111.055 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.531 ' O ' HD12 ' A' ' 20' ' ' LEU . 21.6 t -67.88 -12.51 15.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.242 -0.436 . . . . 73.450000000000003 111.119 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -116.75 -25.26 7.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.469 . . . . 71.25 110.939 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 30.7 ttmt -65.18 -45.58 84.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 71.439999999999998 110.901 179.829 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.718 HG22 ' O ' ' A' ' 15' ' ' ALA . 11.9 m -86.43 -31.59 6.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.452 . . . . 75.319999999999993 111.119 179.921 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.531 HD12 ' O ' ' A' ' 16' ' ' VAL . 1.2 mt -51.84 -24.72 6.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 74.219999999999999 110.876 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.4 m -64.63 -30.54 71.56 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.226 -0.443 . . . . 64.439999999999998 111.159 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 59.9 p -51.51 -36.23 43.86 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.21 -0.45 . . . . 75.239999999999995 111.159 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -105.91 -15.2 19.05 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.719 -0.753 . . . . 65.310000000000002 112.466 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.488 ' O ' HD23 ' A' ' 24' ' ' LEU . 7.3 tt . . . . . 0 C--N 1.328 -0.347 0 CA-C-O 120.848 0.356 . . . . 62.240000000000002 110.916 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.334 0 N-CA-C 112.436 -0.266 . . . . 73.340000000000003 112.436 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 45.2 mm -59.86 -20.4 19.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.861 0.363 . . . . 72.140000000000001 111.119 -179.912 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -56.48 -17.83 20.62 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.746 -0.74 . . . . 72.129999999999995 112.509 179.906 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.52 ' CE ' ' HB2' ' A' ' 5' ' ' ALA . 0.0 OUTLIER -81.38 -37.37 28.32 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.804 0.335 . . . . 71.400000000000006 110.902 -179.997 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 5' ' ' ALA . . . . . 0.52 ' HB2' ' CE ' ' A' ' 4' ' ' LYS . . . -80.47 -38.75 29.37 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.222 -0.445 . . . . 72.409999999999997 111.094 179.824 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -73.05 -19.83 61.1 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.239 -0.437 . . . . 73.340000000000003 110.9 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 30.4 ttpt -79.95 -30.92 39.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.165 -0.471 . . . . 70.120000000000005 110.872 179.873 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 5.6 pttt -59.94 -25.8 65.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.254 -0.43 . . . . 75.549999999999997 110.885 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.96 -23.04 63.26 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.227 -0.442 . . . . 73.310000000000002 111.117 179.81 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.8 -34.13 38.63 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.181 -0.463 . . . . 73.319999999999993 110.921 179.933 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 6.1 ttpt -85.74 -26.47 25.84 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.186 -0.461 . . . . 65.349999999999994 110.865 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -85.41 6.67 79.18 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.798 -0.715 . . . . 73.120000000000005 112.53 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.401 HG23 ' N ' ' A' ' 14' ' ' GLY . 0.0 OUTLIER -52.99 -42.54 44.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.904 0.383 . . . . 72.099999999999994 111.124 -179.956 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 14' ' ' GLY . . . . . 0.401 ' N ' HG23 ' A' ' 13' ' ' ILE . . . -53.05 -24.64 21.54 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.768 -0.73 . . . . 72.420000000000002 112.516 179.938 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.558 ' O ' HG22 ' A' ' 19' ' ' VAL . . . -69.36 -24.1 63.85 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.868 0.366 . . . . 75.430000000000007 111.116 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.45 ' O ' HD23 ' A' ' 20' ' ' LEU . 21.5 t -66.99 -12.03 14.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 73.409999999999997 111.122 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 27.2 tp -112.63 -26.0 8.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.137 -0.483 . . . . 73.019999999999996 110.906 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.2 mtmt -64.15 -46.11 85.53 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.174 -0.466 . . . . 73.549999999999997 110.933 179.802 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.558 HG22 ' O ' ' A' ' 15' ' ' ALA . 11.7 m -84.81 -32.08 7.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.207 -0.452 . . . . 73.450000000000003 111.093 179.891 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.45 HD23 ' O ' ' A' ' 16' ' ' VAL . 0.7 OUTLIER -53.83 -23.11 11.26 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.174 -0.466 . . . . 73.239999999999995 110.919 -179.983 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.6 m -71.95 -29.25 64.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.466 . . . . 73.150000000000006 111.139 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 61.1 m -56.56 -25.15 51.36 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.171 -0.468 . . . . 73.120000000000005 111.149 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -120.04 -11.97 6.67 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.74 -0.743 . . . . 60.140000000000001 112.481 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.328 -0.339 0 CA-C-O 120.826 0.346 . . . . 75.209999999999994 110.922 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.339 0 N-CA-C 112.509 -0.236 . . . . 60.210000000000001 112.509 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 41.2 mm -59.76 -23.11 25.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 120.927 0.394 . . . . 75.420000000000002 111.145 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -56.59 -17.99 21.93 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.761 -0.733 . . . . 73.409999999999997 112.445 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.3 -35.95 30.4 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.798 0.333 . . . . 73.030000000000001 110.917 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -81.15 -40.29 24.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.219 -0.446 . . . . 60.399999999999999 111.093 179.812 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.43 HD23 ' C ' ' A' ' 6' ' ' LEU . 9.4 tt -65.75 -36.57 83.93 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.267 -0.424 . . . . 64.129999999999995 110.87 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 1.8 tpmt? -65.56 -40.29 92.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.224 -0.443 . . . . 63.310000000000002 110.871 179.887 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.3 -26.56 38.8 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.205 -0.452 . . . . 73.25 110.922 179.874 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.94 -20.79 59.45 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.232 -0.44 . . . . 51.039999999999999 111.088 179.819 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 17.1 ptmt -51.87 -32.98 34.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.209 -0.451 . . . . 51.109999999999999 110.883 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 6.1 ttpp -86.71 -26.35 24.3 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.233 -0.44 . . . . 73.510000000000005 110.891 179.894 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -89.17 7.49 81.99 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.741 -0.742 . . . . 63.399999999999999 112.508 179.864 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.404 HG23 ' N ' ' A' ' 14' ' ' GLY . 0.0 OUTLIER -52.93 -42.14 42.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-O 120.805 0.336 . . . . 75.5 111.125 -179.983 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 14' ' ' GLY . . . . . 0.404 ' N ' HG23 ' A' ' 13' ' ' ILE . . . -55.22 -21.06 24.35 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.749 -0.738 . . . . 73.120000000000005 112.475 179.909 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.726 ' O ' HG22 ' A' ' 19' ' ' VAL . . . -80.65 -21.69 41.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.886 0.375 . . . . 75.430000000000007 111.131 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.438 ' O ' HD12 ' A' ' 20' ' ' LEU . 26.2 t -67.44 -20.86 27.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.159 -0.473 . . . . 65.420000000000002 111.126 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -108.56 -19.31 13.49 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.192 -0.458 . . . . 75.140000000000001 110.914 179.933 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 3.7 ttpp -70.9 -37.98 72.99 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.219 -0.446 . . . . 72.409999999999997 110.91 179.823 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.726 HG22 ' O ' ' A' ' 15' ' ' ALA . 8.7 m -93.21 -31.27 4.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.24 -0.436 . . . . 65.349999999999994 111.147 179.859 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.438 HD12 ' O ' ' A' ' 16' ' ' VAL . 3.8 mt -52.99 -23.76 8.01 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.134 -0.485 . . . . 64.040000000000006 110.924 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 2.0 m -66.18 -27.69 68.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 75.340000000000003 111.136 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.501 HG22 ' O ' ' A' ' 19' ' ' VAL . 6.1 t -52.54 -32.56 41.29 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.194 -0.457 . . . . 71.299999999999997 111.131 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -109.86 -15.07 12.42 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.765 -0.731 . . . . 64.140000000000001 112.527 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 2.9 tp . . . . . 0 C--N 1.329 -0.3 0 CA-C-O 120.873 0.368 . . . . 63.439999999999998 110.898 -179.925 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.34 0 N-CA-C 112.45 -0.26 . . . . 71.420000000000002 112.45 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 45.7 mm -59.79 -20.48 19.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.837 0.351 . . . . 55.439999999999998 111.136 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -56.54 -17.91 21.35 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.72 -0.752 . . . . 64.109999999999999 112.421 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.473 ' CE ' ' HB2' ' A' ' 5' ' ' ALA . 0.0 OUTLIER -81.29 -37.25 28.73 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.79 0.329 . . . . 73.319999999999993 110.888 -179.969 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 5' ' ' ALA . . . . . 0.473 ' HB2' ' CE ' ' A' ' 4' ' ' LYS . . . -80.44 -39.25 28.56 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.225 -0.443 . . . . 54.149999999999999 111.114 179.831 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -72.15 -19.98 61.68 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.229 -0.442 . . . . 74.010000000000005 110.948 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 3.5 ttmt -80.14 -30.89 39.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.183 -0.462 . . . . 71.150000000000006 110.91 179.841 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 15.8 pttt -59.84 -25.68 65.2 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.218 -0.446 . . . . 73.540000000000006 110.927 179.825 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.87 -22.43 62.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.214 -0.448 . . . . 44.119999999999997 111.131 179.806 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.09 -28.73 26.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.211 -0.45 . . . . 54.32 110.895 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 5.2 mtmt -85.88 -28.61 24.27 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.213 -0.449 . . . . 62.420000000000002 110.933 179.863 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -85.23 6.89 77.98 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.769 -0.729 . . . . 41.340000000000003 112.49 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -52.87 -42.1 41.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.891 0.377 . . . . 72.140000000000001 111.15 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -55.5 -20.77 24.94 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.708 -0.758 . . . . 74.129999999999995 112.474 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.711 ' O ' HG22 ' A' ' 19' ' ' VAL . . . -82.31 -20.7 36.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.811 0.339 . . . . 70.140000000000001 111.079 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.409 ' O ' HD23 ' A' ' 20' ' ' LEU . 21.6 t -68.76 -12.53 16.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.199 -0.455 . . . . 64.299999999999997 111.141 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -117.36 -22.69 8.12 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.18 -0.464 . . . . 74.109999999999999 110.914 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 15.6 tppt? -68.04 -45.01 75.13 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.224 -0.444 . . . . 54.549999999999997 110.882 179.838 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.711 HG22 ' O ' ' A' ' 15' ' ' ALA . 12.7 m -87.67 -30.79 5.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 63.240000000000002 111.09 179.884 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.409 HD23 ' O ' ' A' ' 16' ' ' VAL . 0.8 OUTLIER -53.96 -22.97 11.52 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.231 -0.44 . . . . 73.230000000000004 110.912 179.993 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.5 m -72.09 -29.84 64.5 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.204 -0.453 . . . . 63.350000000000001 111.17 179.903 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 15.4 m -56.46 -24.6 46.71 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.216 -0.447 . . . . 53.420000000000002 111.134 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -120.01 -12.48 6.43 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.773 -0.727 . . . . 72.450000000000003 112.467 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 6.4 tt . . . . . 0 C--N 1.328 -0.335 0 CA-C-O 120.794 0.33 . . . . 71.040000000000006 110.969 -179.954 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 N-CA-C 112.477 -0.249 . . . . 53.149999999999999 112.477 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 41.2 mm -59.71 -24.69 29.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-O 120.842 0.353 . . . . 75.409999999999997 111.141 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -56.38 -18.37 21.79 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.712 -0.756 . . . . 52.310000000000002 112.494 179.895 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -82.24 -36.21 27.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.762 0.315 . . . . 72.140000000000001 110.904 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -80.63 -34.72 34.76 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.257 -0.429 . . . . 61.520000000000003 111.076 179.827 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.559 HD12 ' O ' ' A' ' 6' ' ' LEU . 10.6 tp -74.51 -29.92 61.6 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.215 -0.448 . . . . 70.319999999999993 110.946 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -79.27 -19.67 49.97 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.157 -0.474 . . . . 71.430000000000007 110.953 179.789 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 27.3 pttt -59.67 -26.07 65.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.454 . . . . 72.019999999999996 110.887 179.867 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.95 -21.93 61.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.241 -0.436 . . . . 72.439999999999998 111.098 179.824 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 1.5 ptmt -52.87 -29.58 28.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.238 -0.437 . . . . 70.230000000000004 110.849 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -78.19 -32.67 50.17 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.248 -0.433 . . . . 72.349999999999994 110.87 179.909 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -89.91 14.73 61.08 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.728 -0.749 . . . . 55.229999999999997 112.486 179.918 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -52.9 -42.2 42.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.824 0.345 . . . . 61.32 111.122 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -55.59 -20.73 25.4 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.763 -0.732 . . . . 63.25 112.52 179.9 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.689 ' O ' HG22 ' A' ' 19' ' ' VAL . . . -83.16 -19.9 35.73 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.811 0.339 . . . . 72.209999999999994 111.086 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 23.6 t -71.08 -14.34 17.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.183 -0.462 . . . . 53.030000000000001 111.166 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -117.87 -16.16 9.96 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.132 -0.485 . . . . 73.010000000000005 110.93 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 19.8 ttpp -74.12 -44.11 55.03 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.188 -0.46 . . . . 72.430000000000007 110.872 179.846 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.689 HG22 ' O ' ' A' ' 15' ' ' ALA . 11.9 m -89.42 -30.6 5.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.249 -0.432 . . . . 74.530000000000001 111.11 179.917 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -54.09 -22.84 11.92 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.455 . . . . 33.039999999999999 110.916 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.5 m -72.57 -29.69 63.76 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.216 -0.447 . . . . 75.329999999999998 111.157 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 9.8 m -56.63 -24.81 50.74 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.212 -0.449 . . . . 74.409999999999997 111.133 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -119.99 -12.01 6.68 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.725 -0.75 . . . . 63.149999999999999 112.479 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.328 -0.337 0 CA-C-O 120.851 0.357 . . . . 72.519999999999996 110.9 -179.922 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 N-CA-C 112.513 -0.235 . . . . 64.120000000000005 112.513 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 40.2 mt -59.91 -26.17 34.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-O 120.895 0.378 . . . . 72.439999999999998 111.164 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' GLY . . . . . 0.511 ' HA2' HD23 ' A' ' 6' ' ' LEU . . . -56.6 -18.09 22.42 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.706 -0.759 . . . . 45.030000000000001 112.506 179.89 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 13.1 ptmt -81.99 -34.6 29.59 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.812 0.339 . . . . 72.239999999999995 110.885 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -80.94 -40.89 23.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.451 . . . . 61.140000000000001 111.117 179.851 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.528 HD12 ' O ' ' A' ' 6' ' ' LEU . 0.3 OUTLIER -71.21 -25.96 62.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.446 . . . . 52.100000000000001 110.926 -179.971 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 7.6 ttpt -73.25 -37.15 66.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 74.230000000000004 110.879 179.834 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 1.6 pttp -80.17 -24.16 40.54 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.248 -0.433 . . . . 70.120000000000005 110.91 179.875 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.87 -23.53 63.51 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.221 -0.445 . . . . 63.229999999999997 111.116 179.806 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 16.6 ptmt -55.08 -33.17 62.55 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.217 -0.447 . . . . 71.409999999999997 110.862 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 2.9 tmpt? -67.68 -25.16 65.55 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.254 -0.43 . . . . 70.109999999999999 110.908 179.883 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -88.92 12.87 64.6 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.747 -0.739 . . . . 54.130000000000003 112.48 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.401 HG23 ' N ' ' A' ' 14' ' ' GLY . 0.0 OUTLIER -52.83 -42.21 41.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.913 0.387 . . . . 74.129999999999995 111.179 -179.963 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 14' ' ' GLY . . . . . 0.401 ' N ' HG23 ' A' ' 13' ' ' ILE . . . -55.22 -21.09 24.4 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.702 -0.761 . . . . 55.530000000000001 112.511 179.882 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.74 ' O ' HG22 ' A' ' 19' ' ' VAL . . . -80.6 -21.68 41.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.82 0.343 . . . . 64.109999999999999 111.133 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.433 ' O ' HD12 ' A' ' 20' ' ' LEU . 38.6 t -67.32 -21.18 27.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.207 -0.451 . . . . 62.229999999999997 111.113 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -108.01 -19.6 13.45 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.224 -0.444 . . . . 61.409999999999997 110.889 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 27.3 ttpt -70.87 -37.24 73.04 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.223 -0.444 . . . . 74.019999999999996 110.897 179.842 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.74 HG22 ' O ' ' A' ' 15' ' ' ALA . 9.7 m -93.72 -31.07 4.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.167 -0.47 . . . . 74.230000000000004 111.159 179.877 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.529 ' HB3' HD12 ' A' ' 24' ' ' LEU . 4.1 mt -53.83 -23.23 11.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 74.439999999999998 110.876 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.5 m -72.57 -30.01 64.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 41.509999999999998 111.133 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 89.4 m -56.48 -24.84 48.61 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.189 -0.46 . . . . 55.109999999999999 111.171 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -119.49 -12.44 6.75 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.711 -0.757 . . . . 71.349999999999994 112.463 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.529 HD12 ' HB3' ' A' ' 20' ' ' LEU . 33.3 mt . . . . . 0 C--N 1.329 -0.32 0 CA-C-O 120.813 0.34 . . . . 75.200000000000003 110.912 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.357 0 N-CA-C 112.521 -0.232 . . . . 70.019999999999996 112.521 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' ILE . . . . . 0.431 ' H ' HD12 ' A' ' 2' ' ' ILE . 3.4 mp -59.76 -25.19 31.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-O 120.904 0.383 . . . . 50.119999999999997 111.092 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -56.68 -17.78 21.84 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.735 -0.745 . . . . 74.519999999999996 112.538 179.884 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 1.2 pttp -81.18 -36.13 30.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.852 0.358 . . . . 42.130000000000003 110.904 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -80.96 -40.2 24.82 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.202 -0.454 . . . . 62.25 111.119 179.844 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.406 HD23 ' C ' ' A' ' 6' ' ' LEU . 3.6 tt -68.6 -27.07 65.72 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.198 -0.456 . . . . 74.510000000000005 110.875 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -70.69 -40.17 73.05 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.208 -0.451 . . . . 71.200000000000003 110.884 179.845 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 2.1 pttp -80.73 -20.22 43.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.461 . . . . 63.219999999999999 110.92 179.865 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -67.92 -19.65 65.01 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.195 -0.457 . . . . 53.439999999999998 111.12 179.851 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.42 -31.51 48.18 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.191 -0.458 . . . . 75.450000000000003 110.934 179.94 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 2.1 pttt -89.97 -26.47 20.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.233 -0.44 . . . . 75.0 110.916 179.83 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -95.6 10.83 68.81 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.725 -0.75 . . . . 73.299999999999997 112.494 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -52.98 -42.23 43.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.881 0.372 . . . . 43.329999999999998 111.112 -179.929 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -55.18 -21.08 24.12 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.739 -0.743 . . . . 61.039999999999999 112.465 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.738 ' O ' HG22 ' A' ' 19' ' ' VAL . . . -80.48 -21.79 41.67 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.801 0.334 . . . . 42.229999999999997 111.078 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.43 ' O ' HD12 ' A' ' 20' ' ' LEU . 38.9 t -67.25 -21.25 27.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 61.229999999999997 111.12 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -107.94 -19.53 13.48 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.214 -0.448 . . . . 75.519999999999996 110.932 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 3.7 ttpp -70.98 -37.13 72.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.215 -0.448 . . . . 75.030000000000001 110.918 179.806 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.738 HG22 ' O ' ' A' ' 15' ' ' ALA . 9.5 m -93.74 -31.15 4.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.223 -0.444 . . . . 33.539999999999999 111.093 179.873 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.43 HD12 ' O ' ' A' ' 16' ' ' VAL . 4.1 mt -53.87 -23.13 11.58 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.209 -0.451 . . . . 72.349999999999994 110.9 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.5 m -72.79 -29.82 63.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 61.030000000000001 111.144 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 40.8 m -56.74 -24.64 51.23 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.253 -0.431 . . . . 65.239999999999995 111.16 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -119.93 -12.08 6.68 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.683 -0.77 . . . . 75.439999999999998 112.462 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 10.2 tt . . . . . 0 C--N 1.328 -0.349 0 CA-C-O 120.834 0.349 . . . . 72.409999999999997 110.896 -179.916 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 N-CA-C 112.475 -0.25 . . . . 60.130000000000003 112.475 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 41.3 mm -59.7 -24.82 30.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.859 0.362 . . . . 72.540000000000006 111.14 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -56.5 -18.2 22.05 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.732 -0.747 . . . . 64.5 112.517 179.914 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 14.3 ptmt -82.15 -35.22 28.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.76 0.314 . . . . 72.400000000000006 110.848 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -80.19 -40.1 27.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.281 -0.418 . . . . 74.439999999999998 111.064 179.854 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.435 HD13 ' O ' ' A' ' 6' ' ' LEU . 0.2 OUTLIER -68.22 -23.59 64.83 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.259 -0.428 . . . . 73.25 110.945 -179.97 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -80.25 -28.77 38.4 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.13 -0.486 . . . . 71.239999999999995 110.873 179.831 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.57 -24.71 63.97 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.253 -0.431 . . . . 71.299999999999997 110.909 179.881 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.94 -25.77 67.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.26 -0.427 . . . . 43.200000000000003 111.098 179.818 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 3.7 ptmt -53.88 -31.87 51.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.226 -0.443 . . . . 75.420000000000002 110.888 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 5.7 mtmt -89.05 -25.35 21.99 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.209 -0.45 . . . . 71.200000000000003 110.874 179.902 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -89.23 6.99 83.06 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.742 -0.742 . . . . 51.32 112.464 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.574 ' O ' HG12 ' A' ' 16' ' ' VAL . 0.0 OUTLIER -52.99 -42.59 44.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.836 0.35 . . . . 75.420000000000002 111.113 -179.936 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -54.56 -20.86 19.05 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.681 -0.771 . . . . 25.510000000000002 112.476 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.726 ' O ' HG22 ' A' ' 19' ' ' VAL . . . -73.76 -22.3 59.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.809 0.337 . . . . 42.100000000000001 111.089 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.574 HG12 ' O ' ' A' ' 13' ' ' ILE . 3.8 p -63.7 -15.41 16.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.246 -0.434 . . . . 65.310000000000002 111.103 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -115.39 -24.81 8.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 74.430000000000007 110.895 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 25.9 ttmt -65.58 -45.85 81.67 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.198 -0.455 . . . . 75.200000000000003 110.905 179.813 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.726 HG22 ' O ' ' A' ' 15' ' ' ALA . 14.2 m -86.13 -31.7 6.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.177 -0.465 . . . . 60.539999999999999 111.119 179.882 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.436 HD23 ' O ' ' A' ' 16' ' ' VAL . 0.8 OUTLIER -53.5 -23.14 9.52 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.187 -0.461 . . . . 73.409999999999997 110.91 179.936 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.4 m -72.1 -30.08 64.73 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.21 -0.45 . . . . 70.519999999999996 111.142 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 7.6 m -56.47 -24.4 45.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.45 . . . . 41.439999999999998 111.148 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -120.0 -12.66 6.34 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.74 -0.743 . . . . 61.119999999999997 112.473 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 1.4 tp . . . . . 0 C--N 1.328 -0.356 0 CA-C-O 120.83 0.348 . . . . 73.120000000000005 110.9 -179.899 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.37 0 N-CA-C 112.515 -0.234 . . . . 71.420000000000002 112.515 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 2.3 mp -59.8 -23.24 25.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 120.922 0.392 . . . . 64.450000000000003 111.138 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -56.49 -18.01 21.33 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.796 -0.716 . . . . 71.049999999999997 112.498 179.91 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.29 -35.97 30.41 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.84 0.352 . . . . 44.439999999999998 110.908 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -81.14 -40.23 24.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.176 -0.465 . . . . 40.100000000000001 111.122 179.828 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.563 HD13 ' O ' ' A' ' 6' ' ' LEU . 0.4 OUTLIER -66.1 -34.89 79.08 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.209 -0.45 . . . . 73.239999999999995 110.921 -179.982 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 9.9 mttt -65.98 -40.32 91.12 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.181 -0.463 . . . . 74.049999999999997 110.88 179.873 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 4.1 pttp -80.5 -27.81 37.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.196 -0.457 . . . . 74.340000000000003 110.924 179.876 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.95 -20.1 55.66 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.209 -0.45 . . . . 52.109999999999999 111.081 179.832 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 11.0 ptmt -51.97 -33.33 37.33 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.24 -0.436 . . . . 73.430000000000007 110.834 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 6.7 pttp -76.21 -32.76 59.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.256 -0.429 . . . . 64.540000000000006 110.906 179.915 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -90.27 15.8 58.95 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.761 -0.733 . . . . 72.409999999999997 112.503 179.885 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.571 ' O ' HG12 ' A' ' 16' ' ' VAL . 0.0 OUTLIER -52.65 -42.75 41.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.857 0.36 . . . . 71.329999999999998 111.139 -179.942 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 14' ' ' GLY . . . . . 0.408 ' N ' HG23 ' A' ' 13' ' ' ILE . . . -53.39 -22.18 14.95 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.755 -0.735 . . . . 63.119999999999997 112.468 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.73 ' O ' HG22 ' A' ' 19' ' ' VAL . . . -70.29 -25.84 63.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.766 0.317 . . . . 74.230000000000004 111.045 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.571 HG12 ' O ' ' A' ' 13' ' ' ILE . 4.6 p -58.87 -21.36 18.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.275 -0.421 . . . . 72.0 111.111 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -109.26 -23.77 11.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 75.310000000000002 110.918 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 2.6 mmpt? -66.98 -41.03 87.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 72.010000000000005 110.92 179.799 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.73 HG22 ' O ' ' A' ' 15' ' ' ALA . 11.7 m -89.54 -32.03 5.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 73.230000000000004 111.138 179.869 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.44 HD12 ' O ' ' A' ' 16' ' ' VAL . 3.0 mt -52.04 -24.6 6.95 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.193 -0.458 . . . . 74.049999999999997 110.938 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 19.8 p -68.74 -33.58 74.16 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.193 -0.458 . . . . 75.209999999999994 111.165 179.914 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 94.7 m -51.49 -27.7 11.31 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.18 -0.464 . . . . 73.120000000000005 111.123 -179.924 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -119.12 -9.3 8.88 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.79 -0.719 . . . . 52.409999999999997 112.513 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 19.4 tp . . . . . 0 C--N 1.329 -0.309 0 CA-C-O 120.759 0.314 . . . . 74.340000000000003 110.902 -179.91 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.327 0 N-CA-C 112.527 -0.229 . . . . 73.340000000000003 112.527 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 2.5 mp -59.79 -22.98 25.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.847 0.356 . . . . 54.130000000000003 111.119 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -56.39 -18.24 21.43 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.709 -0.758 . . . . 73.129999999999995 112.498 179.902 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.96 -36.17 28.25 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.806 0.336 . . . . 64.450000000000003 110.88 -179.942 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -81.43 -35.27 30.85 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.212 -0.449 . . . . 51.229999999999997 111.148 179.792 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -77.16 -19.75 56.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.177 -0.465 . . . . 65.420000000000002 110.897 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 10.4 ttpt -80.13 -31.51 39.05 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.231 -0.44 . . . . 73.209999999999994 110.926 179.824 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.41 -24.51 39.61 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.444 . . . . 71.219999999999999 110.885 179.882 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -67.24 -19.96 65.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.226 -0.443 . . . . 53.130000000000003 111.082 179.845 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.82 -59.05 5.4 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.254 -0.43 . . . . 51.119999999999997 110.906 179.937 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -75.84 -23.3 55.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.231 -0.44 . . . . 71.439999999999998 110.912 179.85 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -86.31 8.55 73.77 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.764 -0.731 . . . . 64.5 112.529 179.898 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -52.95 -42.11 42.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.834 0.35 . . . . 75.530000000000001 111.117 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -55.45 -20.87 25.03 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.759 -0.734 . . . . 70.109999999999999 112.486 179.918 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.718 ' O ' HG22 ' A' ' 19' ' ' VAL . . . -82.26 -20.6 37.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.833 0.349 . . . . 73.049999999999997 111.125 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.425 ' O ' HD23 ' A' ' 20' ' ' LEU . 21.6 t -68.13 -12.38 15.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 74.109999999999999 111.119 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -117.18 -24.59 7.43 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.185 -0.461 . . . . 70.010000000000005 110.93 179.911 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 30.9 ttmt -66.0 -45.69 80.68 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.207 -0.451 . . . . 63.32 110.939 179.781 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.718 HG22 ' O ' ' A' ' 15' ' ' ALA . 13.1 m -86.87 -30.95 5.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.229 -0.441 . . . . 65.329999999999998 111.156 179.83 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.425 HD23 ' O ' ' A' ' 16' ' ' VAL . 0.7 OUTLIER -53.77 -23.0 10.55 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.209 -0.45 . . . . 74.099999999999994 110.919 179.983 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.4 m -71.83 -30.03 65.05 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.192 -0.458 . . . . 65.450000000000003 111.113 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 25.8 m -56.14 -24.75 42.93 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.251 -0.431 . . . . 65.150000000000006 111.17 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -119.21 -13.33 6.45 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.713 -0.756 . . . . 72.230000000000004 112.427 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.328 -0.334 0 CA-C-O 120.882 0.372 . . . . 75.430000000000007 110.908 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 2.2 mp . . . . . 0 C--O 1.23 0.071 0 CA-C-O 120.901 0.381 . . . . 53.219999999999999 111.182 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -56.79 -17.73 22.4 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.736 -0.745 . . . . 64.319999999999993 112.454 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 28.2 pttt -81.26 -36.0 30.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.747 0.308 . . . . 74.439999999999998 110.863 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -81.07 -40.29 24.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.258 -0.428 . . . . 74.209999999999994 111.127 179.785 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.562 HD13 ' O ' ' A' ' 6' ' ' LEU . 0.4 OUTLIER -65.95 -36.08 82.35 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.185 -0.461 . . . . 75.329999999999998 110.905 -179.971 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 13.9 mttt -66.05 -40.21 90.76 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.232 -0.44 . . . . 64.109999999999999 110.904 179.804 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 1.5 pttt -80.26 -27.69 38.55 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.238 -0.437 . . . . 71.409999999999997 110.894 179.847 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.86 -20.27 56.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.259 -0.428 . . . . 74.430000000000007 111.106 179.823 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 10.4 ptmm? -51.91 -33.34 36.6 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.221 -0.445 . . . . 72.230000000000004 110.86 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.207 -0.451 . . . . 45.200000000000003 110.855 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.458 -0.068 0 CA-C-O 120.866 0.365 . . . . 63.149999999999999 111.096 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -55.46 -20.83 24.97 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.794 -0.717 . . . . 70.310000000000002 112.48 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.712 ' O ' HG22 ' A' ' 19' ' ' VAL . . . -82.32 -20.59 37.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.807 0.337 . . . . 55.200000000000003 111.109 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.421 ' O ' HD23 ' A' ' 20' ' ' LEU . 21.6 t -68.13 -12.41 15.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.226 -0.443 . . . . 72.140000000000001 111.095 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 51.6 tp -117.18 -24.65 7.41 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.189 -0.46 . . . . 74.319999999999993 110.929 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 6.2 ttmt -66.03 -45.66 80.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.154 -0.475 . . . . 73.510000000000005 110.888 179.848 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.712 HG22 ' O ' ' A' ' 15' ' ' ALA . 13.1 m -86.89 -30.99 5.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.24 -0.437 . . . . 72.239999999999995 111.108 179.876 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.421 HD23 ' O ' ' A' ' 16' ' ' VAL . 0.7 OUTLIER -53.85 -22.88 10.74 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.212 -0.449 . . . . 73.219999999999999 110.884 -179.988 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.5 m -72.09 -29.95 64.61 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.191 -0.459 . . . . 53.32 111.134 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 6.5 m -56.39 -24.48 44.92 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.217 -0.447 . . . . 75.0 111.146 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -120.0 -12.67 6.33 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.721 -0.752 . . . . 21.399999999999999 112.476 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 2.8 tt . . . . . 0 C--N 1.328 -0.356 0 CA-C-O 120.803 0.335 . . . . 64.219999999999999 110.917 -179.941 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 2.3 mp . . . . . 0 N--CA 1.457 -0.095 0 CA-C-O 120.896 0.379 . . . . 63.310000000000002 111.134 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -56.73 -17.78 22.17 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.697 -0.763 . . . . 74.409999999999997 112.5 179.89 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 9.3 pttp -81.17 -36.08 30.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.799 0.333 . . . . 71.140000000000001 110.902 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -81.11 -40.08 24.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.193 -0.458 . . . . 61.5 111.064 179.859 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.44 HD23 ' C ' ' A' ' 6' ' ' LEU . 10.1 tt -65.65 -37.17 85.79 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.247 -0.433 . . . . 74.200000000000003 110.914 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 6.1 ttmm -64.98 -40.34 94.82 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.17 -0.468 . . . . 61.229999999999997 110.866 179.853 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 2.1 pttp -80.37 -26.64 38.52 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.233 -0.439 . . . . 73.329999999999998 110.936 179.867 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.85 -20.58 57.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.229 -0.441 . . . . 72.439999999999998 111.129 179.801 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 1.8 ptmm? -51.81 -32.91 33.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 71.400000000000006 110.889 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 10.6 mtmt . . . . . 0 C--N 1.328 -0.326 0 CA-C-N 116.162 -0.472 . . . . 74.219999999999999 110.917 179.854 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.404 HG23 ' N ' ' A' ' 14' ' ' GLY . 0.0 OUTLIER . . . . . 0 C--O 1.23 0.072 0 CA-C-O 120.837 0.351 . . . . 70.409999999999997 111.118 . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . 0.404 ' N ' HG23 ' A' ' 13' ' ' ILE . . . -54.56 -21.59 21.66 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.688 -0.767 . . . . 72.109999999999999 112.478 179.924 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.639 ' O ' HG22 ' A' ' 19' ' ' VAL . . . -77.16 -24.17 51.55 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.843 0.354 . . . . 61.32 111.106 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 73.0 t -60.04 -37.03 71.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.198 -0.455 . . . . 71.010000000000005 111.134 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -92.46 -20.58 20.85 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.177 -0.465 . . . . 73.0 110.89 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 13.1 ttpt -66.72 -46.71 74.65 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.189 -0.46 . . . . 72.200000000000003 110.891 179.859 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.639 HG22 ' O ' ' A' ' 15' ' ' ALA . 11.8 m -83.59 -32.75 9.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.261 -0.427 . . . . 74.409999999999997 111.14 179.842 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 6.1 mt -53.92 -23.15 11.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.152 -0.476 . . . . 64.099999999999994 110.901 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.7 m -73.41 -28.78 62.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.234 -0.439 . . . . 62.450000000000003 111.152 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 5.1 m -57.08 -25.98 59.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 71.230000000000004 111.161 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -120.07 -10.35 7.54 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.744 -0.741 . . . . 65.310000000000002 112.456 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.329 -0.306 0 CA-C-O 120.846 0.355 . . . . 73.140000000000001 110.929 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 42.0 mm . . . . . 0 N--CA 1.458 -0.069 0 CA-C-O 120.828 0.347 . . . . 63.140000000000001 111.092 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -56.57 -17.92 21.62 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.739 -0.744 . . . . 41.119999999999997 112.487 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.46 -35.71 30.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.743 0.306 . . . . 75.219999999999999 110.869 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -81.19 -40.33 24.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.453 . . . . 33.5 111.106 179.849 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.557 HD13 ' O ' ' A' ' 6' ' ' LEU . 0.4 OUTLIER -65.94 -36.01 82.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.168 -0.469 . . . . 74.420000000000002 110.934 -179.961 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 4.5 ttpp -66.07 -40.24 90.7 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.192 -0.458 . . . . 75.120000000000005 110.878 179.803 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 8.5 ptmt -80.29 -27.8 38.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.187 -0.461 . . . . 72.019999999999996 110.891 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.83 -20.23 55.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.212 -0.449 . . . . 74.439999999999998 111.114 179.818 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 20.9 ptmt -51.58 -36.47 45.54 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.187 -0.461 . . . . 72.209999999999994 110.896 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.253 -0.43 . . . . 74.409999999999997 110.867 179.897 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.457 -0.097 0 CA-C-O 120.896 0.379 . . . . 70.510000000000005 111.174 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -55.3 -21.04 24.79 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.709 -0.757 . . . . 24.41 112.471 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.738 ' O ' HG22 ' A' ' 19' ' ' VAL . . . -80.88 -21.48 40.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.836 0.351 . . . . 72.219999999999999 111.105 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.45 ' O ' HD12 ' A' ' 20' ' ' LEU . 57.5 t -64.89 -21.87 30.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.202 -0.454 . . . . 72.129999999999995 111.127 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -106.83 -24.65 12.0 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.161 -0.472 . . . . 74.010000000000005 110.868 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 14.0 ttpt -64.97 -46.03 83.2 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.244 -0.434 . . . . 74.329999999999998 110.882 179.844 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.738 HG22 ' O ' ' A' ' 15' ' ' ALA . 11.6 m -84.0 -32.6 8.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.247 -0.433 . . . . 74.409999999999997 111.167 179.851 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.45 HD12 ' O ' ' A' ' 16' ' ' VAL . 3.6 mt -53.4 -23.72 10.48 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.181 -0.463 . . . . 75.140000000000001 110.896 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.5 m -72.32 -29.76 64.13 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.222 -0.444 . . . . 74.299999999999997 111.114 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 17.2 m -56.72 -24.68 51.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.282 -0.417 . . . . 75.340000000000003 111.147 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -120.04 -12.1 6.6 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.752 -0.737 . . . . 71.25 112.496 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 4.7 tp . . . . . 0 C--N 1.329 -0.322 0 CA-C-O 120.833 0.349 . . . . 44.140000000000001 110.917 -179.923 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 41.3 mm . . . . . 0 N--CA 1.458 -0.061 0 CA-C-O 120.888 0.375 . . . . 74.099999999999994 111.139 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -56.56 -18.02 21.87 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.737 -0.744 . . . . 71.019999999999996 112.486 179.901 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 14.0 ptmt -81.61 -36.91 28.4 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.8 0.333 . . . . 73.430000000000007 110.951 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . 0.456 ' O ' ' HB2' ' A' ' 9' ' ' ALA . . . -81.42 -34.28 31.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.153 -0.476 . . . . 72.430000000000007 111.053 179.816 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.571 HD23 ' O ' ' A' ' 6' ' ' LEU . 6.5 tt -72.62 -40.23 66.63 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.266 -0.424 . . . . 72.010000000000005 110.898 -179.94 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 4.2 mtmp? -73.89 -35.55 64.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.226 -0.443 . . . . 74.450000000000003 110.915 179.828 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.56 -23.83 39.65 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.198 -0.455 . . . . 71.200000000000003 110.907 179.845 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.456 ' HB2' ' O ' ' A' ' 5' ' ' ALA . . . -59.9 -23.58 63.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.221 -0.445 . . . . 43.009999999999998 111.098 179.807 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 15.2 ptmt -52.04 -32.64 35.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.253 -0.43 . . . . 55.25 110.888 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 6.1 ttpp . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.23 -0.441 . . . . 51.100000000000001 110.849 179.894 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.458 -0.07 0 CA-C-O 120.901 0.382 . . . . 75.25 111.168 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -55.28 -20.89 23.94 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.718 -0.753 . . . . 72.530000000000001 112.51 179.889 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.711 ' O ' HG22 ' A' ' 19' ' ' VAL . . . -77.88 -20.62 52.63 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.83 0.348 . . . . 73.030000000000001 111.095 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.425 ' O ' HD23 ' A' ' 20' ' ' LEU . 22.0 t -67.81 -12.6 15.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.449 . . . . 64.519999999999996 111.095 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -117.03 -24.36 7.6 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.217 -0.447 . . . . 75.329999999999998 110.912 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 3.9 ttmt -66.22 -45.61 80.11 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.179 -0.464 . . . . 72.109999999999999 110.889 179.88 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.711 HG22 ' O ' ' A' ' 15' ' ' ALA . 12.1 m -87.08 -31.05 5.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.226 -0.443 . . . . 73.310000000000002 111.142 179.851 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.425 HD23 ' O ' ' A' ' 16' ' ' VAL . 0.6 OUTLIER -52.86 -23.73 7.63 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.175 -0.466 . . . . 73.409999999999997 110.956 179.91 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.8 m -66.13 -28.49 68.83 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.2 -0.454 . . . . 74.109999999999999 111.152 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 78.5 p -51.59 -35.7 42.5 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.241 -0.436 . . . . 64.349999999999994 111.124 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -108.64 -13.94 17.22 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.741 -0.742 . . . . 65.129999999999995 112.495 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 8.1 tt . . . . . 0 C--N 1.328 -0.359 0 CA-C-O 120.832 0.349 . . . . 63.43 110.899 -179.906 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 41.4 mm . . . . . 0 C--O 1.23 0.05 0 CA-C-O 120.855 0.36 . . . . 71.109999999999999 111.146 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -56.53 -18.17 22.18 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.712 -0.756 . . . . 70.129999999999995 112.531 179.886 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 12.9 ptmt -81.93 -35.29 29.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.775 0.321 . . . . 55.200000000000003 110.868 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -80.38 -39.95 27.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.237 -0.438 . . . . 75.209999999999994 111.115 179.847 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -71.56 -20.33 62.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.224 -0.444 . . . . 71.439999999999998 110.932 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -80.13 -30.95 39.11 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 72.040000000000006 110.899 179.849 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -59.89 -25.57 65.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 43.299999999999997 110.896 179.91 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.04 -21.97 62.07 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.185 -0.461 . . . . 64.319999999999993 111.093 179.838 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -53.14 -28.66 27.11 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.272 -0.422 . . . . 74.409999999999997 110.862 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 116.218 -0.446 . . . . 72.310000000000002 110.836 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.458 -0.055 0 CA-C-O 120.848 0.356 . . . . 74.340000000000003 111.164 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -54.46 -21.94 22.12 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.74 -0.743 . . . . 33.140000000000001 112.509 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.721 ' O ' HG22 ' A' ' 19' ' ' VAL . . . -74.32 -22.26 59.34 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.795 0.331 . . . . 44.109999999999999 111.067 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.493 ' O ' HD12 ' A' ' 20' ' ' LEU . 22.0 t -66.88 -13.32 16.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.454 . . . . 74.319999999999993 111.127 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -114.04 -25.48 8.53 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.183 -0.462 . . . . 63.420000000000002 110.905 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 7.2 mmpt? -66.22 -40.57 90.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.195 -0.457 . . . . 63.229999999999997 110.895 179.837 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.721 HG22 ' O ' ' A' ' 15' ' ' ALA . 10.6 m -90.03 -31.37 5.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.261 -0.427 . . . . 53.229999999999997 111.16 179.877 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.493 HD12 ' O ' ' A' ' 16' ' ' VAL . 2.0 mt -53.64 -23.46 11.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.156 -0.474 . . . . 73.120000000000005 110.868 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.5 m -71.44 -29.78 65.27 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.214 -0.448 . . . . 70.299999999999997 111.135 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 39.8 m -56.37 -24.57 45.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.252 -0.431 . . . . 64.109999999999999 111.148 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -119.99 -12.75 6.3 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.712 -0.756 . . . . 65.140000000000001 112.484 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.328 -0.355 0 CA-C-O 120.823 0.344 . . . . 70.409999999999997 110.912 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 44.9 mm . . . . . 0 N--CA 1.458 -0.067 0 CA-C-O 120.883 0.373 . . . . 75.25 111.168 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -56.47 -17.92 20.92 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.731 -0.747 . . . . 74.140000000000001 112.478 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.467 ' CE ' ' HB2' ' A' ' 5' ' ' ALA . 0.0 OUTLIER -81.34 -37.29 28.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.813 0.34 . . . . 54.240000000000002 110.89 -179.924 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . 0.467 ' HB2' ' CE ' ' A' ' 4' ' ' LYS . . . -80.47 -38.95 28.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 51.329999999999998 111.12 179.795 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -72.78 -19.89 61.27 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.212 -0.449 . . . . 65.299999999999997 110.94 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 37.8 ttmt -80.0 -30.77 39.68 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.183 -0.462 . . . . 70.430000000000007 110.916 179.795 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 15.6 pttt -59.97 -25.97 65.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.225 -0.443 . . . . 74.299999999999997 110.892 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.01 -24.02 64.14 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.239 -0.437 . . . . 54.549999999999997 111.128 179.801 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 9.7 ptmt -55.36 -31.86 62.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.2 -0.454 . . . . 74.239999999999995 110.865 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 2.8 tmpt? . . . . . 0 C--N 1.328 -0.348 0 CA-C-N 116.251 -0.431 . . . . 71.310000000000002 110.872 179.867 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.458 -0.066 0 CA-C-O 120.877 0.37 . . . . 62.140000000000001 111.148 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -55.63 -20.77 25.84 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.696 -0.764 . . . . 64.430000000000007 112.474 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.709 ' O ' HG22 ' A' ' 19' ' ' VAL . . . -82.4 -20.42 37.15 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.799 0.333 . . . . 64.340000000000003 111.071 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.425 ' O ' HD23 ' A' ' 20' ' ' LEU . 21.6 t -67.99 -12.41 15.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.451 . . . . 55.409999999999997 111.157 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 38.7 tp -117.38 -24.8 7.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.154 -0.475 . . . . 71.439999999999998 110.91 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 13.9 ttpt -65.59 -46.05 80.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.148 -0.478 . . . . 71.530000000000001 110.906 179.824 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.709 HG22 ' O ' ' A' ' 15' ' ' ALA . 12.5 m -86.76 -31.09 6.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.227 -0.442 . . . . 75.109999999999999 111.142 179.836 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.425 HD23 ' O ' ' A' ' 16' ' ' VAL . 0.6 OUTLIER -52.75 -23.75 7.41 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.217 -0.447 . . . . 51.32 110.898 179.932 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.8 m -66.14 -28.63 68.94 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.19 -0.459 . . . . 74.109999999999999 111.12 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 77.6 p -51.59 -35.62 42.24 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.23 -0.441 . . . . 72.219999999999999 111.176 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -108.49 -14.09 17.07 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.746 -0.74 . . . . 71.209999999999994 112.476 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.328 -0.335 0 CA-C-O 120.852 0.358 . . . . 75.099999999999994 110.886 -179.871 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 40.6 mt . . . . . 0 N--CA 1.458 -0.063 0 CA-C-O 120.863 0.363 . . . . 74.140000000000001 111.111 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -56.67 -17.86 22.04 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.71 -0.757 . . . . 41.310000000000002 112.533 179.86 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 1.5 pttp -81.23 -36.14 30.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.763 0.316 . . . . 62.0 110.857 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -80.89 -40.17 25.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.251 -0.431 . . . . 61.399999999999999 111.146 179.795 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.417 HD23 ' C ' ' A' ' 6' ' ' LEU . 4.2 tt -68.71 -27.24 65.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 75.549999999999997 110.906 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 11.2 ttpp -70.55 -40.11 73.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.158 -0.474 . . . . 64.540000000000006 110.898 179.836 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 1.6 pttp -80.17 -21.55 42.93 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.215 -0.448 . . . . 63.450000000000003 110.916 179.88 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.35 -22.2 62.98 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.187 -0.46 . . . . 65.349999999999994 111.084 179.872 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.29 -28.48 28.29 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.266 -0.424 . . . . 64.319999999999993 110.884 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.251 -0.431 . . . . 75.430000000000007 110.892 179.9 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.401 HG23 ' N ' ' A' ' 14' ' ' GLY . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.085 0 CA-C-O 120.812 0.339 . . . . 72.109999999999999 111.12 . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . 0.401 ' N ' HG23 ' A' ' 13' ' ' ILE . . . -54.53 -21.88 22.42 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.699 -0.762 . . . . 43.32 112.53 179.892 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.726 ' O ' HG22 ' A' ' 19' ' ' VAL . . . -74.45 -22.22 59.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.77 0.319 . . . . 52.229999999999997 111.06 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.501 ' O ' HD12 ' A' ' 20' ' ' LEU . 22.1 t -66.88 -13.39 16.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.238 -0.437 . . . . 53.240000000000002 111.13 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -113.94 -25.47 8.57 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.199 -0.455 . . . . 74.329999999999998 110.943 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -66.21 -40.67 90.49 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 71.329999999999998 110.903 179.838 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.726 HG22 ' O ' ' A' ' 15' ' ' ALA . 10.8 m -89.91 -31.43 5.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.203 -0.453 . . . . 41.549999999999997 111.169 179.884 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.501 HD12 ' O ' ' A' ' 16' ' ' VAL . 2.0 mt -53.55 -23.49 10.81 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.123 -0.49 . . . . 62.310000000000002 110.929 179.928 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.5 m -71.34 -29.8 65.42 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.175 -0.466 . . . . 64.239999999999995 111.209 179.912 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 4.4 m -56.28 -24.72 44.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.201 -0.454 . . . . 64.430000000000007 111.112 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -120.0 -12.64 6.35 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.746 -0.74 . . . . 53.130000000000003 112.493 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 7.8 tp . . . . . 0 C--N 1.328 -0.344 0 CA-C-O 120.823 0.344 . . . . 75.430000000000007 110.908 -179.923 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 2.6 mp . . . . . 0 C--O 1.23 0.07 0 CA-C-O 120.925 0.393 . . . . 64.230000000000004 111.138 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -56.27 -17.96 19.65 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.736 -0.745 . . . . 74.25 112.469 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.596 ' HE3' ' HB2' ' A' ' 5' ' ' ALA . 0.4 OUTLIER -81.31 -38.63 26.44 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.766 0.317 . . . . 75.540000000000006 110.882 -179.981 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . 0.596 ' HB2' ' HE3' ' A' ' 4' ' ' LYS . . . -81.2 -33.05 33.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.239 -0.437 . . . . 52.130000000000003 111.122 179.811 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.57 HD23 ' O ' ' A' ' 6' ' ' LEU . 6.4 tt -73.29 -40.35 64.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.454 . . . . 60.43 110.904 -179.932 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 8.0 mmtt -73.77 -35.31 64.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 61.329999999999998 110.901 179.824 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.57 -24.46 39.19 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.208 -0.451 . . . . 74.540000000000006 110.903 179.882 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.442 ' HB2' ' O ' ' A' ' 5' ' ' ALA . . . -59.92 -21.4 61.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 74.329999999999998 111.117 179.805 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -52.19 -32.47 36.37 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.196 -0.456 . . . . 70.010000000000005 110.855 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.262 -0.426 . . . . 63.009999999999998 110.877 179.885 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.4 HG23 ' N ' ' A' ' 14' ' ' GLY . 0.0 OUTLIER . . . . . 0 N--CA 1.457 -0.084 0 CA-C-O 120.921 0.391 . . . . 74.409999999999997 111.161 . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . 0.4 ' N ' HG23 ' A' ' 13' ' ' ILE . . . -55.3 -20.98 24.55 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.752 -0.737 . . . . 63.020000000000003 112.471 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.724 ' O ' HG22 ' A' ' 19' ' ' VAL . . . -80.84 -21.66 40.6 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.849 0.357 . . . . 53.32 111.098 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.437 ' O ' HD12 ' A' ' 20' ' ' LEU . 25.2 t -67.24 -21.51 28.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.185 -0.461 . . . . 52.420000000000002 111.143 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -107.83 -19.44 13.52 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.164 -0.471 . . . . 72.129999999999995 110.928 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 3.8 ttpp -71.0 -37.21 72.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.45 . . . . 74.319999999999993 110.908 179.818 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.724 HG22 ' O ' ' A' ' 15' ' ' ALA . 9.9 m -93.64 -31.17 4.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.239 -0.437 . . . . 65.120000000000005 111.126 179.858 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.437 HD12 ' O ' ' A' ' 16' ' ' VAL . 4.2 mt -53.84 -23.2 11.62 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.15 -0.477 . . . . 75.230000000000004 110.899 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.5 m -72.79 -29.88 63.64 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.174 -0.466 . . . . 72.129999999999995 111.145 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 5.9 m -56.7 -24.65 50.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.26 -0.427 . . . . 75.319999999999993 111.169 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -119.95 -12.09 6.66 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.722 -0.751 . . . . 22.41 112.457 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.31 0 CA-C-O 120.86 0.362 . . . . 74.540000000000006 110.922 -179.901 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 2.2 mp . . . . . 0 N--CA 1.458 -0.048 0 CA-C-O 120.872 0.368 . . . . 52.119999999999997 111.144 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -56.45 -18.21 21.78 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.755 -0.736 . . . . 64.319999999999993 112.484 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.0 -35.41 28.92 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.759 0.314 . . . . 74.25 110.867 -179.925 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -80.42 -40.09 27.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.451 . . . . 75.319999999999993 111.078 179.809 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.426 HD13 ' O ' ' A' ' 6' ' ' LEU . 0.2 OUTLIER -70.89 -21.6 62.37 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.216 -0.447 . . . . 43.130000000000003 110.951 -179.977 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 8.1 mttt -80.14 -28.98 38.79 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.188 -0.46 . . . . 70.409999999999997 110.883 179.827 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 1.1 pttp -59.81 -25.46 64.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.244 -0.435 . . . . 71.25 110.916 179.866 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.01 -25.03 64.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.239 -0.437 . . . . 65.099999999999994 111.109 179.833 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.84 -33.42 36.09 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.219 -0.446 . . . . 60.299999999999997 110.923 179.914 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 5.0 tmmt? . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.21 -0.45 . . . . 74.230000000000004 110.887 179.894 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.23 0.072 0 CA-C-O 120.879 0.371 . . . . 70.230000000000004 111.083 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -55.64 -20.73 25.76 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.728 -0.749 . . . . 73.030000000000001 112.49 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.688 ' O ' HG22 ' A' ' 19' ' ' VAL . . . -83.4 -19.75 35.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.809 0.338 . . . . 72.400000000000006 111.081 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.415 ' O ' HD23 ' A' ' 20' ' ' LEU . 22.8 t -71.19 -14.36 17.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.212 -0.449 . . . . 74.549999999999997 111.173 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -118.02 -15.93 9.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.146 -0.479 . . . . 71.140000000000001 110.961 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 3.8 ttpp -74.17 -44.15 54.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 74.400000000000006 110.925 179.792 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.688 HG22 ' O ' ' A' ' 15' ' ' ALA . 11.7 m -89.56 -30.57 5.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.455 . . . . 62.329999999999998 111.134 179.865 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.415 HD23 ' O ' ' A' ' 16' ' ' VAL . 1.0 OUTLIER -53.62 -23.29 10.61 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.168 -0.469 . . . . 72.120000000000005 110.894 -179.996 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.4 m -69.92 -30.06 67.38 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.22 -0.445 . . . . 71.540000000000006 111.175 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 5.0 m -54.61 -26.51 33.2 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.218 -0.446 . . . . 60.409999999999997 111.114 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -114.49 -16.23 7.73 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.786 -0.721 . . . . 74.420000000000002 112.518 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 1.6 mm? . . . . . 0 C--N 1.328 -0.335 0 CA-C-O 120.86 0.362 . . . . 74.129999999999995 110.892 -179.915 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 2.8 mt . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.859 0.361 . . . . 64.230000000000004 111.153 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -56.66 -17.96 22.31 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.76 -0.733 . . . . 60.200000000000003 112.466 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.31 -35.87 30.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.809 0.338 . . . . 65.430000000000007 110.883 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -81.17 -40.24 24.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.175 -0.466 . . . . 71.319999999999993 111.062 179.9 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.541 HD13 ' O ' ' A' ' 6' ' ' LEU . 0.4 OUTLIER -65.29 -35.22 80.36 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.239 -0.437 . . . . 73.209999999999994 110.89 -179.942 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 1.3 mmtp -64.81 -40.49 95.3 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.213 -0.449 . . . . 64.030000000000001 110.898 179.82 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 11.8 pttp -80.51 -28.21 37.49 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.225 -0.443 . . . . 75.030000000000001 110.937 179.861 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.86 -28.36 67.46 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.212 -0.449 . . . . 72.150000000000006 111.134 179.807 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 18.9 ptmt -51.8 -33.81 37.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 60.130000000000003 110.891 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 4.0 ttpt . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.253 -0.43 . . . . 73.549999999999997 110.914 179.844 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.566 ' O ' HG12 ' A' ' 16' ' ' VAL . 0.0 OUTLIER . . . . . 0 C--O 1.23 0.078 0 CA-C-O 120.831 0.348 . . . . 73.299999999999997 111.126 . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . 0.405 ' N ' HG23 ' A' ' 13' ' ' ILE . . . -53.17 -22.23 13.44 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.775 -0.726 . . . . 72.150000000000006 112.504 179.896 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.754 ' O ' HG22 ' A' ' 19' ' ' VAL . . . -70.0 -26.52 64.11 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.828 0.346 . . . . 64.420000000000002 111.097 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.566 HG12 ' O ' ' A' ' 13' ' ' ILE . 4.7 p -57.92 -22.93 19.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.231 -0.441 . . . . 75.5 111.137 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -107.22 -24.4 11.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 71.430000000000007 110.87 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.4 mmpt? -66.72 -40.33 88.36 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.234 -0.439 . . . . 64.400000000000006 110.88 179.862 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.754 HG22 ' O ' ' A' ' 15' ' ' ALA . 11.7 m -89.47 -32.12 5.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.215 -0.448 . . . . 74.319999999999993 111.09 179.924 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.432 HD12 ' O ' ' A' ' 16' ' ' VAL . 3.8 mt -53.73 -23.2 11.01 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.196 -0.456 . . . . 75.510000000000005 110.963 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.6 m -72.55 -29.36 63.49 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.464 . . . . 62.420000000000002 111.154 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 10.0 m -56.69 -25.14 53.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 63.32 111.201 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -119.99 -11.69 6.84 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.778 -0.725 . . . . 74.040000000000006 112.522 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 20.1 tp . . . . . 0 C--N 1.328 -0.327 0 CA-C-O 120.838 0.351 . . . . 72.109999999999999 110.919 -179.936 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 2.5 mp . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.858 0.361 . . . . 55.240000000000002 111.102 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -56.51 -18.16 22.03 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.686 -0.769 . . . . 54.329999999999998 112.487 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -81.72 -35.37 29.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.752 0.31 . . . . 65.209999999999994 110.901 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -80.43 -40.08 27.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.224 -0.444 . . . . 62.039999999999999 111.11 179.807 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -71.03 -21.23 62.3 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.252 -0.431 . . . . 74.409999999999997 110.959 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 9.6 mttt -80.08 -30.41 39.24 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 53.340000000000003 110.928 179.813 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 12.3 pttt -59.84 -23.84 63.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 62.219999999999999 110.894 179.851 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -71.24 -33.71 70.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.244 -0.435 . . . . 72.109999999999999 111.091 179.8 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 11.9 mttt -59.6 -52.48 65.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.223 -0.444 . . . . 65.209999999999994 110.879 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.228 -0.442 . . . . 73.230000000000004 110.867 179.905 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.847 0.356 . . . . 63.520000000000003 111.141 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -55.54 -20.81 25.45 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.761 -0.733 . . . . 65.329999999999998 112.444 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.718 ' O ' HG22 ' A' ' 19' ' ' VAL . . . -82.09 -20.71 37.6 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.811 0.338 . . . . 52.329999999999998 111.055 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.531 ' O ' HD12 ' A' ' 20' ' ' LEU . 21.6 t -67.88 -12.51 15.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.242 -0.436 . . . . 73.450000000000003 111.119 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -116.75 -25.26 7.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.469 . . . . 71.25 110.939 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 30.7 ttmt -65.18 -45.58 84.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 71.439999999999998 110.901 179.829 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.718 HG22 ' O ' ' A' ' 15' ' ' ALA . 11.9 m -86.43 -31.59 6.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.452 . . . . 75.319999999999993 111.119 179.921 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.531 HD12 ' O ' ' A' ' 16' ' ' VAL . 1.2 mt -51.84 -24.72 6.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 74.219999999999999 110.876 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.4 m -64.63 -30.54 71.56 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.226 -0.443 . . . . 64.439999999999998 111.159 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 59.9 p -51.51 -36.23 43.86 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.21 -0.45 . . . . 75.239999999999995 111.159 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -105.91 -15.2 19.05 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.719 -0.753 . . . . 65.310000000000002 112.466 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.488 ' O ' HD23 ' A' ' 24' ' ' LEU . 7.3 tt . . . . . 0 C--N 1.328 -0.347 0 CA-C-O 120.848 0.356 . . . . 62.240000000000002 110.916 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 45.2 mm . . . . . 0 N--CA 1.457 -0.093 0 CA-C-O 120.861 0.363 . . . . 72.140000000000001 111.119 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -56.48 -17.83 20.62 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.746 -0.74 . . . . 72.129999999999995 112.509 179.906 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.52 ' CE ' ' HB2' ' A' ' 5' ' ' ALA . 0.0 OUTLIER -81.38 -37.37 28.32 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.804 0.335 . . . . 71.400000000000006 110.902 -179.997 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . 0.52 ' HB2' ' CE ' ' A' ' 4' ' ' LYS . . . -80.47 -38.75 29.37 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.222 -0.445 . . . . 72.409999999999997 111.094 179.824 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -73.05 -19.83 61.1 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.239 -0.437 . . . . 73.340000000000003 110.9 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 30.4 ttpt -79.95 -30.92 39.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.165 -0.471 . . . . 70.120000000000005 110.872 179.873 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 5.6 pttt -59.94 -25.8 65.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.254 -0.43 . . . . 75.549999999999997 110.885 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.96 -23.04 63.26 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.227 -0.442 . . . . 73.310000000000002 111.117 179.81 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.8 -34.13 38.63 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.181 -0.463 . . . . 73.319999999999993 110.921 179.933 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 6.1 ttpt . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.186 -0.461 . . . . 65.349999999999994 110.865 179.926 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.401 HG23 ' N ' ' A' ' 14' ' ' GLY . 0.0 OUTLIER . . . . . 0 C--O 1.23 0.042 0 CA-C-O 120.904 0.383 . . . . 72.099999999999994 111.124 . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . 0.401 ' N ' HG23 ' A' ' 13' ' ' ILE . . . -53.05 -24.64 21.54 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.768 -0.73 . . . . 72.420000000000002 112.516 179.938 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.558 ' O ' HG22 ' A' ' 19' ' ' VAL . . . -69.36 -24.1 63.85 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.868 0.366 . . . . 75.430000000000007 111.116 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.45 ' O ' HD23 ' A' ' 20' ' ' LEU . 21.5 t -66.99 -12.03 14.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 73.409999999999997 111.122 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 27.2 tp -112.63 -26.0 8.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.137 -0.483 . . . . 73.019999999999996 110.906 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.2 mtmt -64.15 -46.11 85.53 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.174 -0.466 . . . . 73.549999999999997 110.933 179.802 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.558 HG22 ' O ' ' A' ' 15' ' ' ALA . 11.7 m -84.81 -32.08 7.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.207 -0.452 . . . . 73.450000000000003 111.093 179.891 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.45 HD23 ' O ' ' A' ' 16' ' ' VAL . 0.7 OUTLIER -53.83 -23.11 11.26 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.174 -0.466 . . . . 73.239999999999995 110.919 -179.983 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.6 m -71.95 -29.25 64.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.466 . . . . 73.150000000000006 111.139 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 61.1 m -56.56 -25.15 51.36 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.171 -0.468 . . . . 73.120000000000005 111.149 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -120.04 -11.97 6.67 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.74 -0.743 . . . . 60.140000000000001 112.481 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.328 -0.339 0 CA-C-O 120.826 0.346 . . . . 75.209999999999994 110.922 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 41.2 mm . . . . . 0 N--CA 1.457 -0.093 0 CA-C-O 120.927 0.394 . . . . 75.420000000000002 111.145 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -56.59 -17.99 21.93 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.761 -0.733 . . . . 73.409999999999997 112.445 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.3 -35.95 30.4 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.798 0.333 . . . . 73.030000000000001 110.917 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -81.15 -40.29 24.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.219 -0.446 . . . . 60.399999999999999 111.093 179.812 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.43 HD23 ' C ' ' A' ' 6' ' ' LEU . 9.4 tt -65.75 -36.57 83.93 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.267 -0.424 . . . . 64.129999999999995 110.87 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 1.8 tpmt? -65.56 -40.29 92.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.224 -0.443 . . . . 63.310000000000002 110.871 179.887 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.3 -26.56 38.8 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.205 -0.452 . . . . 73.25 110.922 179.874 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.94 -20.79 59.45 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.232 -0.44 . . . . 51.039999999999999 111.088 179.819 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 17.1 ptmt -51.87 -32.98 34.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.209 -0.451 . . . . 51.109999999999999 110.883 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 6.1 ttpp . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.233 -0.44 . . . . 73.510000000000005 110.891 179.894 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.404 HG23 ' N ' ' A' ' 14' ' ' GLY . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.805 0.336 . . . . 75.5 111.125 . . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . 0.404 ' N ' HG23 ' A' ' 13' ' ' ILE . . . -55.22 -21.06 24.35 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.749 -0.738 . . . . 73.120000000000005 112.475 179.909 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.726 ' O ' HG22 ' A' ' 19' ' ' VAL . . . -80.65 -21.69 41.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.886 0.375 . . . . 75.430000000000007 111.131 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.438 ' O ' HD12 ' A' ' 20' ' ' LEU . 26.2 t -67.44 -20.86 27.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.159 -0.473 . . . . 65.420000000000002 111.126 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -108.56 -19.31 13.49 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.192 -0.458 . . . . 75.140000000000001 110.914 179.933 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 3.7 ttpp -70.9 -37.98 72.99 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.219 -0.446 . . . . 72.409999999999997 110.91 179.823 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.726 HG22 ' O ' ' A' ' 15' ' ' ALA . 8.7 m -93.21 -31.27 4.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.24 -0.436 . . . . 65.349999999999994 111.147 179.859 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.438 HD12 ' O ' ' A' ' 16' ' ' VAL . 3.8 mt -52.99 -23.76 8.01 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.134 -0.485 . . . . 64.040000000000006 110.924 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 2.0 m -66.18 -27.69 68.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 75.340000000000003 111.136 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.501 HG22 ' O ' ' A' ' 19' ' ' VAL . 6.1 t -52.54 -32.56 41.29 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.194 -0.457 . . . . 71.299999999999997 111.131 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -109.86 -15.07 12.42 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.765 -0.731 . . . . 64.140000000000001 112.527 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 2.9 tp . . . . . 0 C--N 1.329 -0.3 0 CA-C-O 120.873 0.368 . . . . 63.439999999999998 110.898 -179.925 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 45.7 mm . . . . . 0 C--O 1.23 0.066 0 CA-C-O 120.837 0.351 . . . . 55.439999999999998 111.136 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -56.54 -17.91 21.35 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.72 -0.752 . . . . 64.109999999999999 112.421 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.473 ' CE ' ' HB2' ' A' ' 5' ' ' ALA . 0.0 OUTLIER -81.29 -37.25 28.73 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.79 0.329 . . . . 73.319999999999993 110.888 -179.969 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . 0.473 ' HB2' ' CE ' ' A' ' 4' ' ' LYS . . . -80.44 -39.25 28.56 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.225 -0.443 . . . . 54.149999999999999 111.114 179.831 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -72.15 -19.98 61.68 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.229 -0.442 . . . . 74.010000000000005 110.948 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 3.5 ttmt -80.14 -30.89 39.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.183 -0.462 . . . . 71.150000000000006 110.91 179.841 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 15.8 pttt -59.84 -25.68 65.2 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.218 -0.446 . . . . 73.540000000000006 110.927 179.825 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.87 -22.43 62.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.214 -0.448 . . . . 44.119999999999997 111.131 179.806 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.09 -28.73 26.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.211 -0.45 . . . . 54.32 110.895 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 5.2 mtmt . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.213 -0.449 . . . . 62.420000000000002 110.933 179.863 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.457 -0.11 0 CA-C-O 120.891 0.377 . . . . 72.140000000000001 111.15 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -55.5 -20.77 24.94 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.708 -0.758 . . . . 74.129999999999995 112.474 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.711 ' O ' HG22 ' A' ' 19' ' ' VAL . . . -82.31 -20.7 36.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.811 0.339 . . . . 70.140000000000001 111.079 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.409 ' O ' HD23 ' A' ' 20' ' ' LEU . 21.6 t -68.76 -12.53 16.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.199 -0.455 . . . . 64.299999999999997 111.141 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -117.36 -22.69 8.12 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.18 -0.464 . . . . 74.109999999999999 110.914 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 15.6 tppt? -68.04 -45.01 75.13 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.224 -0.444 . . . . 54.549999999999997 110.882 179.838 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.711 HG22 ' O ' ' A' ' 15' ' ' ALA . 12.7 m -87.67 -30.79 5.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 63.240000000000002 111.09 179.884 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.409 HD23 ' O ' ' A' ' 16' ' ' VAL . 0.8 OUTLIER -53.96 -22.97 11.52 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.231 -0.44 . . . . 73.230000000000004 110.912 179.993 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.5 m -72.09 -29.84 64.5 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.204 -0.453 . . . . 63.350000000000001 111.17 179.903 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 15.4 m -56.46 -24.6 46.71 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.216 -0.447 . . . . 53.420000000000002 111.134 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -120.01 -12.48 6.43 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.773 -0.727 . . . . 72.450000000000003 112.467 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 6.4 tt . . . . . 0 C--N 1.328 -0.335 0 CA-C-O 120.794 0.33 . . . . 71.040000000000006 110.969 -179.954 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 41.2 mm . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.842 0.353 . . . . 75.409999999999997 111.141 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -56.38 -18.37 21.79 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.712 -0.756 . . . . 52.310000000000002 112.494 179.895 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -82.24 -36.21 27.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.762 0.315 . . . . 72.140000000000001 110.904 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -80.63 -34.72 34.76 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.257 -0.429 . . . . 61.520000000000003 111.076 179.827 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.559 HD12 ' O ' ' A' ' 6' ' ' LEU . 10.6 tp -74.51 -29.92 61.6 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.215 -0.448 . . . . 70.319999999999993 110.946 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -79.27 -19.67 49.97 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.157 -0.474 . . . . 71.430000000000007 110.953 179.789 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 27.3 pttt -59.67 -26.07 65.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.454 . . . . 72.019999999999996 110.887 179.867 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.95 -21.93 61.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.241 -0.436 . . . . 72.439999999999998 111.098 179.824 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 1.5 ptmt -52.87 -29.58 28.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.238 -0.437 . . . . 70.230000000000004 110.849 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.248 -0.433 . . . . 72.349999999999994 110.87 179.909 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.458 -0.073 0 CA-C-O 120.824 0.345 . . . . 61.32 111.122 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -55.59 -20.73 25.4 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.763 -0.732 . . . . 63.25 112.52 179.9 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.689 ' O ' HG22 ' A' ' 19' ' ' VAL . . . -83.16 -19.9 35.73 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.811 0.339 . . . . 72.209999999999994 111.086 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 23.6 t -71.08 -14.34 17.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.183 -0.462 . . . . 53.030000000000001 111.166 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -117.87 -16.16 9.96 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.132 -0.485 . . . . 73.010000000000005 110.93 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 19.8 ttpp -74.12 -44.11 55.03 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.188 -0.46 . . . . 72.430000000000007 110.872 179.846 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.689 HG22 ' O ' ' A' ' 15' ' ' ALA . 11.9 m -89.42 -30.6 5.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.249 -0.432 . . . . 74.530000000000001 111.11 179.917 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -54.09 -22.84 11.92 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.455 . . . . 33.039999999999999 110.916 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.5 m -72.57 -29.69 63.76 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.216 -0.447 . . . . 75.329999999999998 111.157 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 9.8 m -56.63 -24.81 50.74 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.212 -0.449 . . . . 74.409999999999997 111.133 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -119.99 -12.01 6.68 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.725 -0.75 . . . . 63.149999999999999 112.479 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.328 -0.337 0 CA-C-O 120.851 0.357 . . . . 72.519999999999996 110.9 -179.922 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 40.2 mt . . . . . 0 N--CA 1.457 -0.096 0 CA-C-O 120.895 0.378 . . . . 72.439999999999998 111.164 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . 0.511 ' HA2' HD23 ' A' ' 6' ' ' LEU . . . -56.6 -18.09 22.42 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.706 -0.759 . . . . 45.030000000000001 112.506 179.89 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 13.1 ptmt -81.99 -34.6 29.59 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.812 0.339 . . . . 72.239999999999995 110.885 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -80.94 -40.89 23.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.451 . . . . 61.140000000000001 111.117 179.851 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.528 HD12 ' O ' ' A' ' 6' ' ' LEU . 0.3 OUTLIER -71.21 -25.96 62.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.446 . . . . 52.100000000000001 110.926 -179.971 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 7.6 ttpt -73.25 -37.15 66.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 74.230000000000004 110.879 179.834 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 1.6 pttp -80.17 -24.16 40.54 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.248 -0.433 . . . . 70.120000000000005 110.91 179.875 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.87 -23.53 63.51 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.221 -0.445 . . . . 63.229999999999997 111.116 179.806 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 16.6 ptmt -55.08 -33.17 62.55 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.217 -0.447 . . . . 71.409999999999997 110.862 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 2.9 tmpt? . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.254 -0.43 . . . . 70.109999999999999 110.908 179.883 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.401 HG23 ' N ' ' A' ' 14' ' ' GLY . 0.0 OUTLIER . . . . . 0 N--CA 1.457 -0.118 0 CA-C-O 120.913 0.387 . . . . 74.129999999999995 111.179 . . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . 0.401 ' N ' HG23 ' A' ' 13' ' ' ILE . . . -55.22 -21.09 24.4 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.702 -0.761 . . . . 55.530000000000001 112.511 179.882 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.74 ' O ' HG22 ' A' ' 19' ' ' VAL . . . -80.6 -21.68 41.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.82 0.343 . . . . 64.109999999999999 111.133 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.433 ' O ' HD12 ' A' ' 20' ' ' LEU . 38.6 t -67.32 -21.18 27.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.207 -0.451 . . . . 62.229999999999997 111.113 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -108.01 -19.6 13.45 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.224 -0.444 . . . . 61.409999999999997 110.889 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 27.3 ttpt -70.87 -37.24 73.04 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.223 -0.444 . . . . 74.019999999999996 110.897 179.842 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.74 HG22 ' O ' ' A' ' 15' ' ' ALA . 9.7 m -93.72 -31.07 4.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.167 -0.47 . . . . 74.230000000000004 111.159 179.877 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.529 ' HB3' HD12 ' A' ' 24' ' ' LEU . 4.1 mt -53.83 -23.23 11.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 74.439999999999998 110.876 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.5 m -72.57 -30.01 64.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 41.509999999999998 111.133 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 89.4 m -56.48 -24.84 48.61 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.189 -0.46 . . . . 55.109999999999999 111.171 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -119.49 -12.44 6.75 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.711 -0.757 . . . . 71.349999999999994 112.463 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.529 HD12 ' HB3' ' A' ' 20' ' ' LEU . 33.3 mt . . . . . 0 C--N 1.329 -0.32 0 CA-C-O 120.813 0.34 . . . . 75.200000000000003 110.912 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 3.4 mp . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.904 0.383 . . . . 50.119999999999997 111.092 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -56.68 -17.78 21.84 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.735 -0.745 . . . . 74.519999999999996 112.538 179.884 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 1.2 pttp -81.18 -36.13 30.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.852 0.358 . . . . 42.130000000000003 110.904 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -80.96 -40.2 24.82 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.202 -0.454 . . . . 62.25 111.119 179.844 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.406 HD23 ' C ' ' A' ' 6' ' ' LEU . 3.6 tt -68.6 -27.07 65.72 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.198 -0.456 . . . . 74.510000000000005 110.875 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -70.69 -40.17 73.05 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.208 -0.451 . . . . 71.200000000000003 110.884 179.845 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 2.1 pttp -80.73 -20.22 43.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.461 . . . . 63.219999999999999 110.92 179.865 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -67.92 -19.65 65.01 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.195 -0.457 . . . . 53.439999999999998 111.12 179.851 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.42 -31.51 48.18 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.191 -0.458 . . . . 75.450000000000003 110.934 179.94 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 2.1 pttt . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.233 -0.44 . . . . 75.0 110.916 179.83 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.23 0.065 0 CA-C-O 120.881 0.372 . . . . 43.329999999999998 111.112 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -55.18 -21.08 24.12 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.739 -0.743 . . . . 61.039999999999999 112.465 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.738 ' O ' HG22 ' A' ' 19' ' ' VAL . . . -80.48 -21.79 41.67 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.801 0.334 . . . . 42.229999999999997 111.078 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.43 ' O ' HD12 ' A' ' 20' ' ' LEU . 38.9 t -67.25 -21.25 27.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 61.229999999999997 111.12 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -107.94 -19.53 13.48 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.214 -0.448 . . . . 75.519999999999996 110.932 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 3.7 ttpp -70.98 -37.13 72.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.215 -0.448 . . . . 75.030000000000001 110.918 179.806 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.738 HG22 ' O ' ' A' ' 15' ' ' ALA . 9.5 m -93.74 -31.15 4.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.223 -0.444 . . . . 33.539999999999999 111.093 179.873 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.43 HD12 ' O ' ' A' ' 16' ' ' VAL . 4.1 mt -53.87 -23.13 11.58 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.209 -0.451 . . . . 72.349999999999994 110.9 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.5 m -72.79 -29.82 63.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 61.030000000000001 111.144 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 40.8 m -56.74 -24.64 51.23 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.253 -0.431 . . . . 65.239999999999995 111.16 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -119.93 -12.08 6.68 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.683 -0.77 . . . . 75.439999999999998 112.462 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 10.2 tt . . . . . 0 C--N 1.328 -0.349 0 CA-C-O 120.834 0.349 . . . . 72.409999999999997 110.896 -179.916 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 41.3 mm . . . . . 0 N--CA 1.457 -0.098 0 CA-C-O 120.859 0.362 . . . . 72.540000000000006 111.14 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -56.5 -18.2 22.05 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.732 -0.747 . . . . 64.5 112.517 179.914 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 14.3 ptmt -82.15 -35.22 28.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.76 0.314 . . . . 72.400000000000006 110.848 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -80.19 -40.1 27.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.281 -0.418 . . . . 74.439999999999998 111.064 179.854 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.435 HD13 ' O ' ' A' ' 6' ' ' LEU . 0.2 OUTLIER -68.22 -23.59 64.83 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.259 -0.428 . . . . 73.25 110.945 -179.97 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -80.25 -28.77 38.4 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.13 -0.486 . . . . 71.239999999999995 110.873 179.831 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.57 -24.71 63.97 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.253 -0.431 . . . . 71.299999999999997 110.909 179.881 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.94 -25.77 67.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.26 -0.427 . . . . 43.200000000000003 111.098 179.818 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 3.7 ptmt -53.88 -31.87 51.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.226 -0.443 . . . . 75.420000000000002 110.888 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 5.7 mtmt . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.209 -0.45 . . . . 71.200000000000003 110.874 179.902 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.574 ' O ' HG12 ' A' ' 16' ' ' VAL . 0.0 OUTLIER . . . . . 0 N--CA 1.457 -0.089 0 CA-C-O 120.836 0.35 . . . . 75.420000000000002 111.113 . . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -54.56 -20.86 19.05 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.681 -0.771 . . . . 25.510000000000002 112.476 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.726 ' O ' HG22 ' A' ' 19' ' ' VAL . . . -73.76 -22.3 59.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.809 0.337 . . . . 42.100000000000001 111.089 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.574 HG12 ' O ' ' A' ' 13' ' ' ILE . 3.8 p -63.7 -15.41 16.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.246 -0.434 . . . . 65.310000000000002 111.103 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -115.39 -24.81 8.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 74.430000000000007 110.895 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 25.9 ttmt -65.58 -45.85 81.67 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.198 -0.455 . . . . 75.200000000000003 110.905 179.813 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.726 HG22 ' O ' ' A' ' 15' ' ' ALA . 14.2 m -86.13 -31.7 6.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.177 -0.465 . . . . 60.539999999999999 111.119 179.882 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.436 HD23 ' O ' ' A' ' 16' ' ' VAL . 0.8 OUTLIER -53.5 -23.14 9.52 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.187 -0.461 . . . . 73.409999999999997 110.91 179.936 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.4 m -72.1 -30.08 64.73 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.21 -0.45 . . . . 70.519999999999996 111.142 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 7.6 m -56.47 -24.4 45.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.45 . . . . 41.439999999999998 111.148 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -120.0 -12.66 6.34 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.74 -0.743 . . . . 61.119999999999997 112.473 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 1.4 tp . . . . . 0 C--N 1.328 -0.356 0 CA-C-O 120.83 0.348 . . . . 73.120000000000005 110.9 -179.899 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 2.3 mp . . . . . 0 N--CA 1.458 -0.072 0 CA-C-O 120.922 0.392 . . . . 64.450000000000003 111.138 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -56.49 -18.01 21.33 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.796 -0.716 . . . . 71.049999999999997 112.498 179.91 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.29 -35.97 30.41 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.84 0.352 . . . . 44.439999999999998 110.908 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -81.14 -40.23 24.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.176 -0.465 . . . . 40.100000000000001 111.122 179.828 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.563 HD13 ' O ' ' A' ' 6' ' ' LEU . 0.4 OUTLIER -66.1 -34.89 79.08 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.209 -0.45 . . . . 73.239999999999995 110.921 -179.982 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 9.9 mttt -65.98 -40.32 91.12 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.181 -0.463 . . . . 74.049999999999997 110.88 179.873 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 4.1 pttp -80.5 -27.81 37.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.196 -0.457 . . . . 74.340000000000003 110.924 179.876 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.95 -20.1 55.66 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.209 -0.45 . . . . 52.109999999999999 111.081 179.832 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 11.0 ptmt -51.97 -33.33 37.33 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.24 -0.436 . . . . 73.430000000000007 110.834 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 6.7 pttp . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.256 -0.429 . . . . 64.540000000000006 110.906 179.915 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.571 ' O ' HG12 ' A' ' 16' ' ' VAL . 0.0 OUTLIER . . . . . 0 C--O 1.23 0.065 0 CA-C-O 120.857 0.36 . . . . 71.329999999999998 111.139 . . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . 0.408 ' N ' HG23 ' A' ' 13' ' ' ILE . . . -53.39 -22.18 14.95 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.755 -0.735 . . . . 63.119999999999997 112.468 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.73 ' O ' HG22 ' A' ' 19' ' ' VAL . . . -70.29 -25.84 63.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.766 0.317 . . . . 74.230000000000004 111.045 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.571 HG12 ' O ' ' A' ' 13' ' ' ILE . 4.6 p -58.87 -21.36 18.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.275 -0.421 . . . . 72.0 111.111 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -109.26 -23.77 11.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 75.310000000000002 110.918 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 2.6 mmpt? -66.98 -41.03 87.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 72.010000000000005 110.92 179.799 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.73 HG22 ' O ' ' A' ' 15' ' ' ALA . 11.7 m -89.54 -32.03 5.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 73.230000000000004 111.138 179.869 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.44 HD12 ' O ' ' A' ' 16' ' ' VAL . 3.0 mt -52.04 -24.6 6.95 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.193 -0.458 . . . . 74.049999999999997 110.938 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 19.8 p -68.74 -33.58 74.16 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.193 -0.458 . . . . 75.209999999999994 111.165 179.914 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 94.7 m -51.49 -27.7 11.31 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.18 -0.464 . . . . 73.120000000000005 111.123 -179.924 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -119.12 -9.3 8.88 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.79 -0.719 . . . . 52.409999999999997 112.513 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 19.4 tp . . . . . 0 C--N 1.329 -0.309 0 CA-C-O 120.759 0.314 . . . . 74.340000000000003 110.902 -179.91 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 2.5 mp . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.847 0.356 . . . . 54.130000000000003 111.119 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -56.39 -18.24 21.43 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.709 -0.758 . . . . 73.129999999999995 112.498 179.902 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.96 -36.17 28.25 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.806 0.336 . . . . 64.450000000000003 110.88 -179.942 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -81.43 -35.27 30.85 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.212 -0.449 . . . . 51.229999999999997 111.148 179.792 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -77.16 -19.75 56.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.177 -0.465 . . . . 65.420000000000002 110.897 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 10.4 ttpt -80.13 -31.51 39.05 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.231 -0.44 . . . . 73.209999999999994 110.926 179.824 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.41 -24.51 39.61 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.444 . . . . 71.219999999999999 110.885 179.882 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -67.24 -19.96 65.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.226 -0.443 . . . . 53.130000000000003 111.082 179.845 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.82 -59.05 5.4 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.254 -0.43 . . . . 51.119999999999997 110.906 179.937 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.231 -0.44 . . . . 71.439999999999998 110.912 179.85 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.834 0.35 . . . . 75.530000000000001 111.117 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -55.45 -20.87 25.03 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.759 -0.734 . . . . 70.109999999999999 112.486 179.918 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.718 ' O ' HG22 ' A' ' 19' ' ' VAL . . . -82.26 -20.6 37.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.833 0.349 . . . . 73.049999999999997 111.125 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.425 ' O ' HD23 ' A' ' 20' ' ' LEU . 21.6 t -68.13 -12.38 15.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 74.109999999999999 111.119 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -117.18 -24.59 7.43 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.185 -0.461 . . . . 70.010000000000005 110.93 179.911 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 30.9 ttmt -66.0 -45.69 80.68 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.207 -0.451 . . . . 63.32 110.939 179.781 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.718 HG22 ' O ' ' A' ' 15' ' ' ALA . 13.1 m -86.87 -30.95 5.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.229 -0.441 . . . . 65.329999999999998 111.156 179.83 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.425 HD23 ' O ' ' A' ' 16' ' ' VAL . 0.7 OUTLIER -53.77 -23.0 10.55 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.209 -0.45 . . . . 74.099999999999994 110.919 179.983 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.4 m -71.83 -30.03 65.05 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.192 -0.458 . . . . 65.450000000000003 111.113 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 25.8 m -56.14 -24.75 42.93 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.251 -0.431 . . . . 65.150000000000006 111.17 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -119.21 -13.33 6.45 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.713 -0.756 . . . . 72.230000000000004 112.427 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.328 -0.334 0 CA-C-O 120.882 0.372 . . . . 75.430000000000007 110.908 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.363 0 N-CA-C 112.467 -0.253 . . . . 72.049999999999997 112.467 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 2.2 mp -59.77 -25.27 31.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.901 0.381 . . . . 53.219999999999999 111.182 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -56.79 -17.73 22.4 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.736 -0.745 . . . . 64.319999999999993 112.454 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 28.2 pttt -81.26 -36.0 30.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.747 0.308 . . . . 74.439999999999998 110.863 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -81.07 -40.29 24.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.258 -0.428 . . . . 74.209999999999994 111.127 179.785 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.562 HD13 ' O ' ' A' ' 6' ' ' LEU . 0.4 OUTLIER -65.95 -36.08 82.35 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.185 -0.461 . . . . 75.329999999999998 110.905 -179.971 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 13.9 mttt -66.05 -40.21 90.76 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.232 -0.44 . . . . 64.109999999999999 110.904 179.804 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 1.5 pttt -80.26 -27.69 38.55 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.238 -0.437 . . . . 71.409999999999997 110.894 179.847 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.86 -20.27 56.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.259 -0.428 . . . . 74.430000000000007 111.106 179.823 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 10.4 ptmm? -51.91 -33.34 36.6 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.221 -0.445 . . . . 72.230000000000004 110.86 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -75.86 -33.0 59.99 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.207 -0.451 . . . . 45.200000000000003 110.855 179.911 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -90.5 16.0 58.83 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.708 -0.758 . . . . 74.140000000000001 112.5 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -52.83 -42.21 42.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.866 0.365 . . . . 63.149999999999999 111.096 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -55.46 -20.83 24.97 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.794 -0.717 . . . . 70.310000000000002 112.48 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.712 ' O ' HG22 ' A' ' 19' ' ' VAL . . . -82.32 -20.59 37.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.807 0.337 . . . . 55.200000000000003 111.109 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.421 ' O ' HD23 ' A' ' 20' ' ' LEU . 21.6 t -68.13 -12.41 15.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.226 -0.443 . . . . 72.140000000000001 111.095 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 51.6 tp -117.18 -24.65 7.41 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.189 -0.46 . . . . 74.319999999999993 110.929 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 6.2 ttmt -66.03 -45.66 80.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.154 -0.475 . . . . 73.510000000000005 110.888 179.848 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.712 HG22 ' O ' ' A' ' 15' ' ' ALA . 13.1 m -86.89 -30.99 5.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.24 -0.437 . . . . 72.239999999999995 111.108 179.876 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.421 HD23 ' O ' ' A' ' 16' ' ' VAL . 0.7 OUTLIER -53.85 -22.88 10.74 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.212 -0.449 . . . . 73.219999999999999 110.884 -179.988 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.5 m -72.09 -29.95 64.61 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.191 -0.459 . . . . 53.32 111.134 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 6.5 m -56.39 -24.48 44.92 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.217 -0.447 . . . . 75.0 111.146 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -120.0 -12.67 6.33 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.721 -0.752 . . . . 21.399999999999999 112.476 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 2.8 tt . . . . . 0 C--N 1.328 -0.356 0 CA-C-O 120.803 0.335 . . . . 64.219999999999999 110.917 -179.941 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.31 0 N-CA-C 112.466 -0.253 . . . . 70.219999999999999 112.466 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 2.3 mp -59.82 -25.29 31.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.896 0.379 . . . . 63.310000000000002 111.134 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -56.73 -17.78 22.17 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.697 -0.763 . . . . 74.409999999999997 112.5 179.89 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 9.3 pttp -81.17 -36.08 30.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.799 0.333 . . . . 71.140000000000001 110.902 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -81.11 -40.08 24.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.193 -0.458 . . . . 61.5 111.064 179.859 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.44 HD23 ' C ' ' A' ' 6' ' ' LEU . 10.1 tt -65.65 -37.17 85.79 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.247 -0.433 . . . . 74.200000000000003 110.914 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 6.1 ttmm -64.98 -40.34 94.82 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.17 -0.468 . . . . 61.229999999999997 110.866 179.853 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 2.1 pttp -80.37 -26.64 38.52 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.233 -0.439 . . . . 73.329999999999998 110.936 179.867 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.85 -20.58 57.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.229 -0.441 . . . . 72.439999999999998 111.129 179.801 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 1.8 ptmm? -51.81 -32.91 33.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 71.400000000000006 110.889 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 10.6 mtmt -87.97 -25.57 23.09 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.162 -0.472 . . . . 74.219999999999999 110.917 179.854 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -90.73 6.84 81.95 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.725 -0.75 . . . . 63.299999999999997 112.472 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.404 HG23 ' N ' ' A' ' 14' ' ' GLY . 0.0 OUTLIER -52.86 -42.28 42.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.837 0.351 . . . . 70.409999999999997 111.118 -179.965 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . 0.404 ' N ' HG23 ' A' ' 13' ' ' ILE . . . -54.56 -21.59 21.66 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.688 -0.767 . . . . 72.109999999999999 112.478 179.924 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.639 ' O ' HG22 ' A' ' 19' ' ' VAL . . . -77.16 -24.17 51.55 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.843 0.354 . . . . 61.32 111.106 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 73.0 t -60.04 -37.03 71.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.198 -0.455 . . . . 71.010000000000005 111.134 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -92.46 -20.58 20.85 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.177 -0.465 . . . . 73.0 110.89 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 13.1 ttpt -66.72 -46.71 74.65 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.189 -0.46 . . . . 72.200000000000003 110.891 179.859 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.639 HG22 ' O ' ' A' ' 15' ' ' ALA . 11.8 m -83.59 -32.75 9.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.261 -0.427 . . . . 74.409999999999997 111.14 179.842 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 6.1 mt -53.92 -23.15 11.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.152 -0.476 . . . . 64.099999999999994 110.901 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.7 m -73.41 -28.78 62.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.234 -0.439 . . . . 62.450000000000003 111.152 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 5.1 m -57.08 -25.98 59.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 71.230000000000004 111.161 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -120.07 -10.35 7.54 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.744 -0.741 . . . . 65.310000000000002 112.456 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.329 -0.306 0 CA-C-O 120.846 0.355 . . . . 73.140000000000001 110.929 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 N-CA-C 112.433 -0.267 . . . . 35.140000000000001 112.433 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 42.0 mm -59.76 -23.52 26.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.828 0.347 . . . . 63.140000000000001 111.092 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -56.57 -17.92 21.62 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.739 -0.744 . . . . 41.119999999999997 112.487 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.46 -35.71 30.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.743 0.306 . . . . 75.219999999999999 110.869 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -81.19 -40.33 24.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.453 . . . . 33.5 111.106 179.849 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.557 HD13 ' O ' ' A' ' 6' ' ' LEU . 0.4 OUTLIER -65.94 -36.01 82.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.168 -0.469 . . . . 74.420000000000002 110.934 -179.961 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 4.5 ttpp -66.07 -40.24 90.7 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.192 -0.458 . . . . 75.120000000000005 110.878 179.803 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 8.5 ptmt -80.29 -27.8 38.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.187 -0.461 . . . . 72.019999999999996 110.891 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.83 -20.23 55.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.212 -0.449 . . . . 74.439999999999998 111.114 179.818 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 20.9 ptmt -51.58 -36.47 45.54 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.187 -0.461 . . . . 72.209999999999994 110.896 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.11 -32.84 63.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.253 -0.43 . . . . 74.409999999999997 110.867 179.897 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -90.71 16.62 57.7 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.729 -0.748 . . . . 62.219999999999999 112.485 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -52.7 -42.23 40.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-O 120.896 0.379 . . . . 70.510000000000005 111.174 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -55.3 -21.04 24.79 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.709 -0.757 . . . . 24.41 112.471 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.738 ' O ' HG22 ' A' ' 19' ' ' VAL . . . -80.88 -21.48 40.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.836 0.351 . . . . 72.219999999999999 111.105 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.45 ' O ' HD12 ' A' ' 20' ' ' LEU . 57.5 t -64.89 -21.87 30.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.202 -0.454 . . . . 72.129999999999995 111.127 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -106.83 -24.65 12.0 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.161 -0.472 . . . . 74.010000000000005 110.868 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 14.0 ttpt -64.97 -46.03 83.2 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.244 -0.434 . . . . 74.329999999999998 110.882 179.844 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.738 HG22 ' O ' ' A' ' 15' ' ' ALA . 11.6 m -84.0 -32.6 8.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.247 -0.433 . . . . 74.409999999999997 111.167 179.851 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.45 HD12 ' O ' ' A' ' 16' ' ' VAL . 3.6 mt -53.4 -23.72 10.48 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.181 -0.463 . . . . 75.140000000000001 110.896 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.5 m -72.32 -29.76 64.13 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.222 -0.444 . . . . 74.299999999999997 111.114 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 17.2 m -56.72 -24.68 51.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.282 -0.417 . . . . 75.340000000000003 111.147 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -120.04 -12.1 6.6 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.752 -0.737 . . . . 71.25 112.496 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 4.7 tp . . . . . 0 C--N 1.329 -0.322 0 CA-C-O 120.833 0.349 . . . . 44.140000000000001 110.917 -179.923 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.304 0 N-CA-C 112.482 -0.247 . . . . 64.099999999999994 112.482 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 41.3 mm -59.83 -24.59 29.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 120.888 0.375 . . . . 74.099999999999994 111.139 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -56.56 -18.02 21.87 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.737 -0.744 . . . . 71.019999999999996 112.486 179.901 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 14.0 ptmt -81.61 -36.91 28.4 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.8 0.333 . . . . 73.430000000000007 110.951 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . 0.456 ' O ' ' HB2' ' A' ' 9' ' ' ALA . . . -81.42 -34.28 31.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.153 -0.476 . . . . 72.430000000000007 111.053 179.816 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.571 HD23 ' O ' ' A' ' 6' ' ' LEU . 6.5 tt -72.62 -40.23 66.63 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.266 -0.424 . . . . 72.010000000000005 110.898 -179.94 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 4.2 mtmp? -73.89 -35.55 64.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.226 -0.443 . . . . 74.450000000000003 110.915 179.828 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.56 -23.83 39.65 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.198 -0.455 . . . . 71.200000000000003 110.907 179.845 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.456 ' HB2' ' O ' ' A' ' 5' ' ' ALA . . . -59.9 -23.58 63.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.221 -0.445 . . . . 43.009999999999998 111.098 179.807 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 15.2 ptmt -52.04 -32.64 35.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.253 -0.43 . . . . 55.25 110.888 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 6.1 ttpp -85.43 -27.33 25.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.23 -0.441 . . . . 51.100000000000001 110.849 179.894 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -86.12 7.84 76.26 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.743 -0.742 . . . . 33.020000000000003 112.515 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -53.03 -42.3 44.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-O 120.901 0.382 . . . . 75.25 111.168 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -55.28 -20.89 23.94 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.718 -0.753 . . . . 72.530000000000001 112.51 179.889 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.711 ' O ' HG22 ' A' ' 19' ' ' VAL . . . -77.88 -20.62 52.63 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.83 0.348 . . . . 73.030000000000001 111.095 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.425 ' O ' HD23 ' A' ' 20' ' ' LEU . 22.0 t -67.81 -12.6 15.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.449 . . . . 64.519999999999996 111.095 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -117.03 -24.36 7.6 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.217 -0.447 . . . . 75.329999999999998 110.912 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 3.9 ttmt -66.22 -45.61 80.11 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.179 -0.464 . . . . 72.109999999999999 110.889 179.88 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.711 HG22 ' O ' ' A' ' 15' ' ' ALA . 12.1 m -87.08 -31.05 5.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.226 -0.443 . . . . 73.310000000000002 111.142 179.851 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.425 HD23 ' O ' ' A' ' 16' ' ' VAL . 0.6 OUTLIER -52.86 -23.73 7.63 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.175 -0.466 . . . . 73.409999999999997 110.956 179.91 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.8 m -66.13 -28.49 68.83 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.2 -0.454 . . . . 74.109999999999999 111.152 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 78.5 p -51.59 -35.7 42.5 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.241 -0.436 . . . . 64.349999999999994 111.124 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -108.64 -13.94 17.22 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.741 -0.742 . . . . 65.129999999999995 112.495 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 8.1 tt . . . . . 0 C--N 1.328 -0.359 0 CA-C-O 120.832 0.349 . . . . 63.43 110.899 -179.906 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.272 0 N-CA-C 112.495 -0.242 . . . . 54.149999999999999 112.495 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 41.4 mm -59.79 -25.1 31.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.855 0.36 . . . . 71.109999999999999 111.146 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -56.53 -18.17 22.18 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.712 -0.756 . . . . 70.129999999999995 112.531 179.886 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 12.9 ptmt -81.93 -35.29 29.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.775 0.321 . . . . 55.200000000000003 110.868 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -80.38 -39.95 27.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.237 -0.438 . . . . 75.209999999999994 111.115 179.847 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -71.56 -20.33 62.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.224 -0.444 . . . . 71.439999999999998 110.932 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -80.13 -30.95 39.11 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 72.040000000000006 110.899 179.849 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -59.89 -25.57 65.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 43.299999999999997 110.896 179.91 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.04 -21.97 62.07 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.185 -0.461 . . . . 64.319999999999993 111.093 179.838 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -53.14 -28.66 27.11 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.272 -0.422 . . . . 74.409999999999997 110.862 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.49 -32.66 48.35 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.218 -0.446 . . . . 72.310000000000002 110.836 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -90.02 15.04 60.42 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.758 -0.734 . . . . 54.240000000000002 112.532 179.911 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -52.94 -42.57 44.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.848 0.356 . . . . 74.340000000000003 111.164 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -54.46 -21.94 22.12 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.74 -0.743 . . . . 33.140000000000001 112.509 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.721 ' O ' HG22 ' A' ' 19' ' ' VAL . . . -74.32 -22.26 59.34 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.795 0.331 . . . . 44.109999999999999 111.067 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.493 ' O ' HD12 ' A' ' 20' ' ' LEU . 22.0 t -66.88 -13.32 16.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.454 . . . . 74.319999999999993 111.127 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -114.04 -25.48 8.53 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.183 -0.462 . . . . 63.420000000000002 110.905 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 7.2 mmpt? -66.22 -40.57 90.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.195 -0.457 . . . . 63.229999999999997 110.895 179.837 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.721 HG22 ' O ' ' A' ' 15' ' ' ALA . 10.6 m -90.03 -31.37 5.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.261 -0.427 . . . . 53.229999999999997 111.16 179.877 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.493 HD12 ' O ' ' A' ' 16' ' ' VAL . 2.0 mt -53.64 -23.46 11.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.156 -0.474 . . . . 73.120000000000005 110.868 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.5 m -71.44 -29.78 65.27 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.214 -0.448 . . . . 70.299999999999997 111.135 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 39.8 m -56.37 -24.57 45.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.252 -0.431 . . . . 64.109999999999999 111.148 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -119.99 -12.75 6.3 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.712 -0.756 . . . . 65.140000000000001 112.484 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.328 -0.355 0 CA-C-O 120.823 0.344 . . . . 70.409999999999997 110.912 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.35 0 N-CA-C 112.475 -0.25 . . . . 74.109999999999999 112.475 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 44.9 mm -59.69 -20.54 19.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.883 0.373 . . . . 75.25 111.168 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -56.47 -17.92 20.92 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.731 -0.747 . . . . 74.140000000000001 112.478 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.467 ' CE ' ' HB2' ' A' ' 5' ' ' ALA . 0.0 OUTLIER -81.34 -37.29 28.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.813 0.34 . . . . 54.240000000000002 110.89 -179.924 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . 0.467 ' HB2' ' CE ' ' A' ' 4' ' ' LYS . . . -80.47 -38.95 28.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 51.329999999999998 111.12 179.795 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -72.78 -19.89 61.27 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.212 -0.449 . . . . 65.299999999999997 110.94 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 37.8 ttmt -80.0 -30.77 39.68 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.183 -0.462 . . . . 70.430000000000007 110.916 179.795 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 15.6 pttt -59.97 -25.97 65.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.225 -0.443 . . . . 74.299999999999997 110.892 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.01 -24.02 64.14 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.239 -0.437 . . . . 54.549999999999997 111.128 179.801 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 9.7 ptmt -55.36 -31.86 62.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.2 -0.454 . . . . 74.239999999999995 110.865 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 2.8 tmpt? -70.35 -25.55 63.33 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.251 -0.431 . . . . 71.310000000000002 110.872 179.867 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -88.85 12.71 64.96 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.742 -0.742 . . . . 74.409999999999997 112.539 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -52.99 -42.09 43.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.877 0.37 . . . . 62.140000000000001 111.148 -179.926 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -55.63 -20.77 25.84 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.696 -0.764 . . . . 64.430000000000007 112.474 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.709 ' O ' HG22 ' A' ' 19' ' ' VAL . . . -82.4 -20.42 37.15 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.799 0.333 . . . . 64.340000000000003 111.071 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.425 ' O ' HD23 ' A' ' 20' ' ' LEU . 21.6 t -67.99 -12.41 15.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.451 . . . . 55.409999999999997 111.157 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 38.7 tp -117.38 -24.8 7.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.154 -0.475 . . . . 71.439999999999998 110.91 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 13.9 ttpt -65.59 -46.05 80.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.148 -0.478 . . . . 71.530000000000001 110.906 179.824 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.709 HG22 ' O ' ' A' ' 15' ' ' ALA . 12.5 m -86.76 -31.09 6.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.227 -0.442 . . . . 75.109999999999999 111.142 179.836 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.425 HD23 ' O ' ' A' ' 16' ' ' VAL . 0.6 OUTLIER -52.75 -23.75 7.41 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.217 -0.447 . . . . 51.32 110.898 179.932 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.8 m -66.14 -28.63 68.94 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.19 -0.459 . . . . 74.109999999999999 111.12 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 77.6 p -51.59 -35.62 42.24 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.23 -0.441 . . . . 72.219999999999999 111.176 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -108.49 -14.09 17.07 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.746 -0.74 . . . . 71.209999999999994 112.476 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.328 -0.335 0 CA-C-O 120.852 0.358 . . . . 75.099999999999994 110.886 -179.871 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.301 0 N-CA-C 112.487 -0.245 . . . . 72.109999999999999 112.487 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 40.6 mt -59.92 -25.1 31.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-O 120.863 0.363 . . . . 74.140000000000001 111.111 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -56.67 -17.86 22.04 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.71 -0.757 . . . . 41.310000000000002 112.533 179.86 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 1.5 pttp -81.23 -36.14 30.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.763 0.316 . . . . 62.0 110.857 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -80.89 -40.17 25.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.251 -0.431 . . . . 61.399999999999999 111.146 179.795 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.417 HD23 ' C ' ' A' ' 6' ' ' LEU . 4.2 tt -68.71 -27.24 65.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 75.549999999999997 110.906 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 11.2 ttpp -70.55 -40.11 73.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.158 -0.474 . . . . 64.540000000000006 110.898 179.836 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 1.6 pttp -80.17 -21.55 42.93 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.215 -0.448 . . . . 63.450000000000003 110.916 179.88 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.35 -22.2 62.98 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.187 -0.46 . . . . 65.349999999999994 111.084 179.872 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.29 -28.48 28.29 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.266 -0.424 . . . . 64.319999999999993 110.884 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -77.73 -32.65 52.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.251 -0.431 . . . . 75.430000000000007 110.892 179.9 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -90.31 15.52 59.7 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.708 -0.758 . . . . 64.0 112.501 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.401 HG23 ' N ' ' A' ' 14' ' ' GLY . 0.0 OUTLIER -52.99 -42.55 44.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-O 120.812 0.339 . . . . 72.109999999999999 111.12 -179.988 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . 0.401 ' N ' HG23 ' A' ' 13' ' ' ILE . . . -54.53 -21.88 22.42 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.699 -0.762 . . . . 43.32 112.53 179.892 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.726 ' O ' HG22 ' A' ' 19' ' ' VAL . . . -74.45 -22.22 59.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.77 0.319 . . . . 52.229999999999997 111.06 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.501 ' O ' HD12 ' A' ' 20' ' ' LEU . 22.1 t -66.88 -13.39 16.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.238 -0.437 . . . . 53.240000000000002 111.13 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -113.94 -25.47 8.57 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.199 -0.455 . . . . 74.329999999999998 110.943 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -66.21 -40.67 90.49 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 71.329999999999998 110.903 179.838 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.726 HG22 ' O ' ' A' ' 15' ' ' ALA . 10.8 m -89.91 -31.43 5.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.203 -0.453 . . . . 41.549999999999997 111.169 179.884 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.501 HD12 ' O ' ' A' ' 16' ' ' VAL . 2.0 mt -53.55 -23.49 10.81 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.123 -0.49 . . . . 62.310000000000002 110.929 179.928 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.5 m -71.34 -29.8 65.42 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.175 -0.466 . . . . 64.239999999999995 111.209 179.912 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 4.4 m -56.28 -24.72 44.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.201 -0.454 . . . . 64.430000000000007 111.112 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -120.0 -12.64 6.35 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.746 -0.74 . . . . 53.130000000000003 112.493 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 7.8 tp . . . . . 0 C--N 1.328 -0.344 0 CA-C-O 120.823 0.344 . . . . 75.430000000000007 110.908 -179.923 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.258 0 N-CA-C 112.488 -0.245 . . . . 44.25 112.488 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 2.6 mp -59.88 -19.86 18.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 120.925 0.393 . . . . 64.230000000000004 111.138 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -56.27 -17.96 19.65 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.736 -0.745 . . . . 74.25 112.469 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.596 ' HE3' ' HB2' ' A' ' 5' ' ' ALA . 0.4 OUTLIER -81.31 -38.63 26.44 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.766 0.317 . . . . 75.540000000000006 110.882 -179.981 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . 0.596 ' HB2' ' HE3' ' A' ' 4' ' ' LYS . . . -81.2 -33.05 33.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.239 -0.437 . . . . 52.130000000000003 111.122 179.811 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.57 HD23 ' O ' ' A' ' 6' ' ' LEU . 6.4 tt -73.29 -40.35 64.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.454 . . . . 60.43 110.904 -179.932 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 8.0 mmtt -73.77 -35.31 64.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 61.329999999999998 110.901 179.824 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.57 -24.46 39.19 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.208 -0.451 . . . . 74.540000000000006 110.903 179.882 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.442 ' HB2' ' O ' ' A' ' 5' ' ' ALA . . . -59.92 -21.4 61.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 74.329999999999998 111.117 179.805 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -52.19 -32.47 36.37 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.196 -0.456 . . . . 70.010000000000005 110.855 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -76.7 -32.72 58.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.262 -0.426 . . . . 63.009999999999998 110.877 179.885 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -90.3 15.52 59.67 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.748 -0.739 . . . . 52.409999999999997 112.47 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.4 HG23 ' N ' ' A' ' 14' ' ' GLY . 0.0 OUTLIER -52.78 -42.27 41.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-O 120.921 0.391 . . . . 74.409999999999997 111.161 179.96 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . 0.4 ' N ' HG23 ' A' ' 13' ' ' ILE . . . -55.3 -20.98 24.55 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.752 -0.737 . . . . 63.020000000000003 112.471 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.724 ' O ' HG22 ' A' ' 19' ' ' VAL . . . -80.84 -21.66 40.6 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.849 0.357 . . . . 53.32 111.098 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.437 ' O ' HD12 ' A' ' 20' ' ' LEU . 25.2 t -67.24 -21.51 28.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.185 -0.461 . . . . 52.420000000000002 111.143 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -107.83 -19.44 13.52 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.164 -0.471 . . . . 72.129999999999995 110.928 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 3.8 ttpp -71.0 -37.21 72.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.45 . . . . 74.319999999999993 110.908 179.818 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.724 HG22 ' O ' ' A' ' 15' ' ' ALA . 9.9 m -93.64 -31.17 4.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.239 -0.437 . . . . 65.120000000000005 111.126 179.858 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.437 HD12 ' O ' ' A' ' 16' ' ' VAL . 4.2 mt -53.84 -23.2 11.62 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.15 -0.477 . . . . 75.230000000000004 110.899 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.5 m -72.79 -29.88 63.64 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.174 -0.466 . . . . 72.129999999999995 111.145 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 5.9 m -56.7 -24.65 50.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.26 -0.427 . . . . 75.319999999999993 111.169 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -119.95 -12.09 6.66 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.722 -0.751 . . . . 22.41 112.457 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.31 0 CA-C-O 120.86 0.362 . . . . 74.540000000000006 110.922 -179.901 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.271 0 N-CA-C 112.466 -0.254 . . . . 65.540000000000006 112.466 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 2.2 mp -59.82 -23.57 26.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.872 0.368 . . . . 52.119999999999997 111.144 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -56.45 -18.21 21.78 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.755 -0.736 . . . . 64.319999999999993 112.484 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.0 -35.41 28.92 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.759 0.314 . . . . 74.25 110.867 -179.925 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -80.42 -40.09 27.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.451 . . . . 75.319999999999993 111.078 179.809 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.426 HD13 ' O ' ' A' ' 6' ' ' LEU . 0.2 OUTLIER -70.89 -21.6 62.37 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.216 -0.447 . . . . 43.130000000000003 110.951 -179.977 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 8.1 mttt -80.14 -28.98 38.79 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.188 -0.46 . . . . 70.409999999999997 110.883 179.827 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 1.1 pttp -59.81 -25.46 64.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.244 -0.435 . . . . 71.25 110.916 179.866 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.01 -25.03 64.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.239 -0.437 . . . . 65.099999999999994 111.109 179.833 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.84 -33.42 36.09 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.219 -0.446 . . . . 60.299999999999997 110.923 179.914 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 5.0 tmmt? -60.91 -40.88 94.8 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.21 -0.45 . . . . 74.230000000000004 110.887 179.894 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -93.01 24.36 24.99 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.699 -0.762 . . . . 61.399999999999999 112.485 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -52.04 -42.07 33.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.879 0.371 . . . . 70.230000000000004 111.083 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -55.64 -20.73 25.76 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.728 -0.749 . . . . 73.030000000000001 112.49 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.688 ' O ' HG22 ' A' ' 19' ' ' VAL . . . -83.4 -19.75 35.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.809 0.338 . . . . 72.400000000000006 111.081 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.415 ' O ' HD23 ' A' ' 20' ' ' LEU . 22.8 t -71.19 -14.36 17.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.212 -0.449 . . . . 74.549999999999997 111.173 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -118.02 -15.93 9.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.146 -0.479 . . . . 71.140000000000001 110.961 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 3.8 ttpp -74.17 -44.15 54.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 74.400000000000006 110.925 179.792 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.688 HG22 ' O ' ' A' ' 15' ' ' ALA . 11.7 m -89.56 -30.57 5.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.455 . . . . 62.329999999999998 111.134 179.865 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.415 HD23 ' O ' ' A' ' 16' ' ' VAL . 1.0 OUTLIER -53.62 -23.29 10.61 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.168 -0.469 . . . . 72.120000000000005 110.894 -179.996 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.4 m -69.92 -30.06 67.38 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.22 -0.445 . . . . 71.540000000000006 111.175 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 5.0 m -54.61 -26.51 33.2 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.218 -0.446 . . . . 60.409999999999997 111.114 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -114.49 -16.23 7.73 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.786 -0.721 . . . . 74.420000000000002 112.518 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 1.6 mm? . . . . . 0 C--N 1.328 -0.335 0 CA-C-O 120.86 0.362 . . . . 74.129999999999995 110.892 -179.915 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.345 0 N-CA-C 112.492 -0.243 . . . . 52.340000000000003 112.492 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 2.8 mt -59.76 -23.4 26.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 120.859 0.361 . . . . 64.230000000000004 111.153 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -56.66 -17.96 22.31 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.76 -0.733 . . . . 60.200000000000003 112.466 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.31 -35.87 30.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.809 0.338 . . . . 65.430000000000007 110.883 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -81.17 -40.24 24.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.175 -0.466 . . . . 71.319999999999993 111.062 179.9 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.541 HD13 ' O ' ' A' ' 6' ' ' LEU . 0.4 OUTLIER -65.29 -35.22 80.36 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.239 -0.437 . . . . 73.209999999999994 110.89 -179.942 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 1.3 mmtp -64.81 -40.49 95.3 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.213 -0.449 . . . . 64.030000000000001 110.898 179.82 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 11.8 pttp -80.51 -28.21 37.49 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.225 -0.443 . . . . 75.030000000000001 110.937 179.861 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.86 -28.36 67.46 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.212 -0.449 . . . . 72.150000000000006 111.134 179.807 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 18.9 ptmt -51.8 -33.81 37.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 60.130000000000003 110.891 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 4.0 ttpt -84.24 -27.73 27.73 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.253 -0.43 . . . . 73.549999999999997 110.914 179.844 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -87.92 7.87 79.83 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.777 -0.725 . . . . 74.530000000000001 112.479 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.566 ' O ' HG12 ' A' ' 16' ' ' VAL . 0.0 OUTLIER -52.02 -42.63 34.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.831 0.348 . . . . 73.299999999999997 111.126 -179.959 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . 0.405 ' N ' HG23 ' A' ' 13' ' ' ILE . . . -53.17 -22.23 13.44 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.775 -0.726 . . . . 72.150000000000006 112.504 179.896 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.754 ' O ' HG22 ' A' ' 19' ' ' VAL . . . -70.0 -26.52 64.11 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.828 0.346 . . . . 64.420000000000002 111.097 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.566 HG12 ' O ' ' A' ' 13' ' ' ILE . 4.7 p -57.92 -22.93 19.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.231 -0.441 . . . . 75.5 111.137 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -107.22 -24.4 11.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 71.430000000000007 110.87 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.4 mmpt? -66.72 -40.33 88.36 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.234 -0.439 . . . . 64.400000000000006 110.88 179.862 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.754 HG22 ' O ' ' A' ' 15' ' ' ALA . 11.7 m -89.47 -32.12 5.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.215 -0.448 . . . . 74.319999999999993 111.09 179.924 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.432 HD12 ' O ' ' A' ' 16' ' ' VAL . 3.8 mt -53.73 -23.2 11.01 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.196 -0.456 . . . . 75.510000000000005 110.963 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.6 m -72.55 -29.36 63.49 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.464 . . . . 62.420000000000002 111.154 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 10.0 m -56.69 -25.14 53.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 63.32 111.201 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -119.99 -11.69 6.84 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.778 -0.725 . . . . 74.040000000000006 112.522 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 20.1 tp . . . . . 0 C--N 1.328 -0.327 0 CA-C-O 120.838 0.351 . . . . 72.109999999999999 110.919 -179.936 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 N-CA-C 112.476 -0.249 . . . . 54.350000000000001 112.476 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 2.5 mp -59.72 -25.47 32.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-O 120.858 0.361 . . . . 55.240000000000002 111.102 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -56.51 -18.16 22.03 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.686 -0.769 . . . . 54.329999999999998 112.487 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -81.72 -35.37 29.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.752 0.31 . . . . 65.209999999999994 110.901 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -80.43 -40.08 27.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.224 -0.444 . . . . 62.039999999999999 111.11 179.807 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -71.03 -21.23 62.3 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.252 -0.431 . . . . 74.409999999999997 110.959 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 9.6 mttt -80.08 -30.41 39.24 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 53.340000000000003 110.928 179.813 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 12.3 pttt -59.84 -23.84 63.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 62.219999999999999 110.894 179.851 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -71.24 -33.71 70.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.244 -0.435 . . . . 72.109999999999999 111.091 179.8 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 11.9 mttt -59.6 -52.48 65.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.223 -0.444 . . . . 65.209999999999994 110.879 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -70.64 -29.58 65.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.228 -0.442 . . . . 73.230000000000004 110.867 179.905 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -90.35 15.76 59.18 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.729 -0.748 . . . . 60.229999999999997 112.511 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -52.87 -42.11 42.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.847 0.356 . . . . 63.520000000000003 111.141 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -55.54 -20.81 25.45 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.761 -0.733 . . . . 65.329999999999998 112.444 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.718 ' O ' HG22 ' A' ' 19' ' ' VAL . . . -82.09 -20.71 37.6 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.811 0.338 . . . . 52.329999999999998 111.055 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.531 ' O ' HD12 ' A' ' 20' ' ' LEU . 21.6 t -67.88 -12.51 15.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.242 -0.436 . . . . 73.450000000000003 111.119 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -116.75 -25.26 7.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.469 . . . . 71.25 110.939 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 30.7 ttmt -65.18 -45.58 84.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 71.439999999999998 110.901 179.829 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.718 HG22 ' O ' ' A' ' 15' ' ' ALA . 11.9 m -86.43 -31.59 6.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.452 . . . . 75.319999999999993 111.119 179.921 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.531 HD12 ' O ' ' A' ' 16' ' ' VAL . 1.2 mt -51.84 -24.72 6.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 74.219999999999999 110.876 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.4 m -64.63 -30.54 71.56 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.226 -0.443 . . . . 64.439999999999998 111.159 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 59.9 p -51.51 -36.23 43.86 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.21 -0.45 . . . . 75.239999999999995 111.159 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -105.91 -15.2 19.05 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.719 -0.753 . . . . 65.310000000000002 112.466 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.488 ' O ' HD23 ' A' ' 24' ' ' LEU . 7.3 tt . . . . . 0 C--N 1.328 -0.347 0 CA-C-O 120.848 0.356 . . . . 62.240000000000002 110.916 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.334 0 N-CA-C 112.436 -0.266 . . . . 73.340000000000003 112.436 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 45.2 mm -59.86 -20.4 19.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.861 0.363 . . . . 72.140000000000001 111.119 -179.912 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -56.48 -17.83 20.62 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.746 -0.74 . . . . 72.129999999999995 112.509 179.906 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.52 ' CE ' ' HB2' ' A' ' 5' ' ' ALA . 0.0 OUTLIER -81.38 -37.37 28.32 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.804 0.335 . . . . 71.400000000000006 110.902 -179.997 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . 0.52 ' HB2' ' CE ' ' A' ' 4' ' ' LYS . . . -80.47 -38.75 29.37 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.222 -0.445 . . . . 72.409999999999997 111.094 179.824 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -73.05 -19.83 61.1 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.239 -0.437 . . . . 73.340000000000003 110.9 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 30.4 ttpt -79.95 -30.92 39.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.165 -0.471 . . . . 70.120000000000005 110.872 179.873 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 5.6 pttt -59.94 -25.8 65.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.254 -0.43 . . . . 75.549999999999997 110.885 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.96 -23.04 63.26 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.227 -0.442 . . . . 73.310000000000002 111.117 179.81 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.8 -34.13 38.63 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.181 -0.463 . . . . 73.319999999999993 110.921 179.933 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 6.1 ttpt -85.74 -26.47 25.84 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.186 -0.461 . . . . 65.349999999999994 110.865 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -85.41 6.67 79.18 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.798 -0.715 . . . . 73.120000000000005 112.53 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.401 HG23 ' N ' ' A' ' 14' ' ' GLY . 0.0 OUTLIER -52.99 -42.54 44.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.904 0.383 . . . . 72.099999999999994 111.124 -179.956 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . 0.401 ' N ' HG23 ' A' ' 13' ' ' ILE . . . -53.05 -24.64 21.54 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.768 -0.73 . . . . 72.420000000000002 112.516 179.938 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.558 ' O ' HG22 ' A' ' 19' ' ' VAL . . . -69.36 -24.1 63.85 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.868 0.366 . . . . 75.430000000000007 111.116 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.45 ' O ' HD23 ' A' ' 20' ' ' LEU . 21.5 t -66.99 -12.03 14.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 73.409999999999997 111.122 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 27.2 tp -112.63 -26.0 8.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.137 -0.483 . . . . 73.019999999999996 110.906 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.2 mtmt -64.15 -46.11 85.53 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.174 -0.466 . . . . 73.549999999999997 110.933 179.802 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.558 HG22 ' O ' ' A' ' 15' ' ' ALA . 11.7 m -84.81 -32.08 7.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.207 -0.452 . . . . 73.450000000000003 111.093 179.891 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.45 HD23 ' O ' ' A' ' 16' ' ' VAL . 0.7 OUTLIER -53.83 -23.11 11.26 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.174 -0.466 . . . . 73.239999999999995 110.919 -179.983 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.6 m -71.95 -29.25 64.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.466 . . . . 73.150000000000006 111.139 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 61.1 m -56.56 -25.15 51.36 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.171 -0.468 . . . . 73.120000000000005 111.149 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -120.04 -11.97 6.67 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.74 -0.743 . . . . 60.140000000000001 112.481 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.328 -0.339 0 CA-C-O 120.826 0.346 . . . . 75.209999999999994 110.922 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.339 0 N-CA-C 112.509 -0.236 . . . . 60.210000000000001 112.509 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 41.2 mm -59.76 -23.11 25.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 120.927 0.394 . . . . 75.420000000000002 111.145 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -56.59 -17.99 21.93 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.761 -0.733 . . . . 73.409999999999997 112.445 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.3 -35.95 30.4 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.798 0.333 . . . . 73.030000000000001 110.917 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -81.15 -40.29 24.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.219 -0.446 . . . . 60.399999999999999 111.093 179.812 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.43 HD23 ' C ' ' A' ' 6' ' ' LEU . 9.4 tt -65.75 -36.57 83.93 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.267 -0.424 . . . . 64.129999999999995 110.87 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 1.8 tpmt? -65.56 -40.29 92.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.224 -0.443 . . . . 63.310000000000002 110.871 179.887 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.3 -26.56 38.8 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.205 -0.452 . . . . 73.25 110.922 179.874 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.94 -20.79 59.45 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.232 -0.44 . . . . 51.039999999999999 111.088 179.819 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 17.1 ptmt -51.87 -32.98 34.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.209 -0.451 . . . . 51.109999999999999 110.883 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 6.1 ttpp -86.71 -26.35 24.3 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.233 -0.44 . . . . 73.510000000000005 110.891 179.894 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -89.17 7.49 81.99 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.741 -0.742 . . . . 63.399999999999999 112.508 179.864 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.404 HG23 ' N ' ' A' ' 14' ' ' GLY . 0.0 OUTLIER -52.93 -42.14 42.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-O 120.805 0.336 . . . . 75.5 111.125 -179.983 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . 0.404 ' N ' HG23 ' A' ' 13' ' ' ILE . . . -55.22 -21.06 24.35 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.749 -0.738 . . . . 73.120000000000005 112.475 179.909 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.726 ' O ' HG22 ' A' ' 19' ' ' VAL . . . -80.65 -21.69 41.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.886 0.375 . . . . 75.430000000000007 111.131 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.438 ' O ' HD12 ' A' ' 20' ' ' LEU . 26.2 t -67.44 -20.86 27.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.159 -0.473 . . . . 65.420000000000002 111.126 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -108.56 -19.31 13.49 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.192 -0.458 . . . . 75.140000000000001 110.914 179.933 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 3.7 ttpp -70.9 -37.98 72.99 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.219 -0.446 . . . . 72.409999999999997 110.91 179.823 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.726 HG22 ' O ' ' A' ' 15' ' ' ALA . 8.7 m -93.21 -31.27 4.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.24 -0.436 . . . . 65.349999999999994 111.147 179.859 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.438 HD12 ' O ' ' A' ' 16' ' ' VAL . 3.8 mt -52.99 -23.76 8.01 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.134 -0.485 . . . . 64.040000000000006 110.924 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 2.0 m -66.18 -27.69 68.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 75.340000000000003 111.136 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.501 HG22 ' O ' ' A' ' 19' ' ' VAL . 6.1 t -52.54 -32.56 41.29 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.194 -0.457 . . . . 71.299999999999997 111.131 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -109.86 -15.07 12.42 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.765 -0.731 . . . . 64.140000000000001 112.527 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 2.9 tp . . . . . 0 C--N 1.329 -0.3 0 CA-C-O 120.873 0.368 . . . . 63.439999999999998 110.898 -179.925 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.34 0 N-CA-C 112.45 -0.26 . . . . 71.420000000000002 112.45 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 45.7 mm -59.79 -20.48 19.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.837 0.351 . . . . 55.439999999999998 111.136 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -56.54 -17.91 21.35 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.72 -0.752 . . . . 64.109999999999999 112.421 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.473 ' CE ' ' HB2' ' A' ' 5' ' ' ALA . 0.0 OUTLIER -81.29 -37.25 28.73 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.79 0.329 . . . . 73.319999999999993 110.888 -179.969 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . 0.473 ' HB2' ' CE ' ' A' ' 4' ' ' LYS . . . -80.44 -39.25 28.56 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.225 -0.443 . . . . 54.149999999999999 111.114 179.831 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -72.15 -19.98 61.68 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.229 -0.442 . . . . 74.010000000000005 110.948 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 3.5 ttmt -80.14 -30.89 39.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.183 -0.462 . . . . 71.150000000000006 110.91 179.841 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 15.8 pttt -59.84 -25.68 65.2 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.218 -0.446 . . . . 73.540000000000006 110.927 179.825 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.87 -22.43 62.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.214 -0.448 . . . . 44.119999999999997 111.131 179.806 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.09 -28.73 26.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.211 -0.45 . . . . 54.32 110.895 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 5.2 mtmt -85.88 -28.61 24.27 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.213 -0.449 . . . . 62.420000000000002 110.933 179.863 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -85.23 6.89 77.98 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.769 -0.729 . . . . 41.340000000000003 112.49 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -52.87 -42.1 41.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.891 0.377 . . . . 72.140000000000001 111.15 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -55.5 -20.77 24.94 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.708 -0.758 . . . . 74.129999999999995 112.474 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.711 ' O ' HG22 ' A' ' 19' ' ' VAL . . . -82.31 -20.7 36.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.811 0.339 . . . . 70.140000000000001 111.079 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.409 ' O ' HD23 ' A' ' 20' ' ' LEU . 21.6 t -68.76 -12.53 16.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.199 -0.455 . . . . 64.299999999999997 111.141 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -117.36 -22.69 8.12 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.18 -0.464 . . . . 74.109999999999999 110.914 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 15.6 tppt? -68.04 -45.01 75.13 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.224 -0.444 . . . . 54.549999999999997 110.882 179.838 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.711 HG22 ' O ' ' A' ' 15' ' ' ALA . 12.7 m -87.67 -30.79 5.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 63.240000000000002 111.09 179.884 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.409 HD23 ' O ' ' A' ' 16' ' ' VAL . 0.8 OUTLIER -53.96 -22.97 11.52 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.231 -0.44 . . . . 73.230000000000004 110.912 179.993 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.5 m -72.09 -29.84 64.5 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.204 -0.453 . . . . 63.350000000000001 111.17 179.903 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 15.4 m -56.46 -24.6 46.71 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.216 -0.447 . . . . 53.420000000000002 111.134 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -120.01 -12.48 6.43 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.773 -0.727 . . . . 72.450000000000003 112.467 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 6.4 tt . . . . . 0 C--N 1.328 -0.335 0 CA-C-O 120.794 0.33 . . . . 71.040000000000006 110.969 -179.954 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 N-CA-C 112.477 -0.249 . . . . 53.149999999999999 112.477 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 41.2 mm -59.71 -24.69 29.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-O 120.842 0.353 . . . . 75.409999999999997 111.141 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -56.38 -18.37 21.79 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.712 -0.756 . . . . 52.310000000000002 112.494 179.895 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -82.24 -36.21 27.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.762 0.315 . . . . 72.140000000000001 110.904 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -80.63 -34.72 34.76 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.257 -0.429 . . . . 61.520000000000003 111.076 179.827 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.559 HD12 ' O ' ' A' ' 6' ' ' LEU . 10.6 tp -74.51 -29.92 61.6 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.215 -0.448 . . . . 70.319999999999993 110.946 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -79.27 -19.67 49.97 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.157 -0.474 . . . . 71.430000000000007 110.953 179.789 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 27.3 pttt -59.67 -26.07 65.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.454 . . . . 72.019999999999996 110.887 179.867 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.95 -21.93 61.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.241 -0.436 . . . . 72.439999999999998 111.098 179.824 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 1.5 ptmt -52.87 -29.58 28.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.238 -0.437 . . . . 70.230000000000004 110.849 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -78.19 -32.67 50.17 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.248 -0.433 . . . . 72.349999999999994 110.87 179.909 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -89.91 14.73 61.08 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.728 -0.749 . . . . 55.229999999999997 112.486 179.918 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -52.9 -42.2 42.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.824 0.345 . . . . 61.32 111.122 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -55.59 -20.73 25.4 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.763 -0.732 . . . . 63.25 112.52 179.9 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.689 ' O ' HG22 ' A' ' 19' ' ' VAL . . . -83.16 -19.9 35.73 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.811 0.339 . . . . 72.209999999999994 111.086 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 23.6 t -71.08 -14.34 17.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.183 -0.462 . . . . 53.030000000000001 111.166 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -117.87 -16.16 9.96 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.132 -0.485 . . . . 73.010000000000005 110.93 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 19.8 ttpp -74.12 -44.11 55.03 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.188 -0.46 . . . . 72.430000000000007 110.872 179.846 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.689 HG22 ' O ' ' A' ' 15' ' ' ALA . 11.9 m -89.42 -30.6 5.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.249 -0.432 . . . . 74.530000000000001 111.11 179.917 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -54.09 -22.84 11.92 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.455 . . . . 33.039999999999999 110.916 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.5 m -72.57 -29.69 63.76 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.216 -0.447 . . . . 75.329999999999998 111.157 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 9.8 m -56.63 -24.81 50.74 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.212 -0.449 . . . . 74.409999999999997 111.133 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -119.99 -12.01 6.68 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.725 -0.75 . . . . 63.149999999999999 112.479 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.328 -0.337 0 CA-C-O 120.851 0.357 . . . . 72.519999999999996 110.9 -179.922 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 N-CA-C 112.513 -0.235 . . . . 64.120000000000005 112.513 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 40.2 mt -59.91 -26.17 34.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-O 120.895 0.378 . . . . 72.439999999999998 111.164 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . 0.511 ' HA2' HD23 ' A' ' 6' ' ' LEU . . . -56.6 -18.09 22.42 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.706 -0.759 . . . . 45.030000000000001 112.506 179.89 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 13.1 ptmt -81.99 -34.6 29.59 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.812 0.339 . . . . 72.239999999999995 110.885 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -80.94 -40.89 23.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.451 . . . . 61.140000000000001 111.117 179.851 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.528 HD12 ' O ' ' A' ' 6' ' ' LEU . 0.3 OUTLIER -71.21 -25.96 62.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.446 . . . . 52.100000000000001 110.926 -179.971 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 7.6 ttpt -73.25 -37.15 66.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 74.230000000000004 110.879 179.834 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 1.6 pttp -80.17 -24.16 40.54 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.248 -0.433 . . . . 70.120000000000005 110.91 179.875 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.87 -23.53 63.51 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.221 -0.445 . . . . 63.229999999999997 111.116 179.806 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 16.6 ptmt -55.08 -33.17 62.55 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.217 -0.447 . . . . 71.409999999999997 110.862 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 2.9 tmpt? -67.68 -25.16 65.55 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.254 -0.43 . . . . 70.109999999999999 110.908 179.883 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -88.92 12.87 64.6 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.747 -0.739 . . . . 54.130000000000003 112.48 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.401 HG23 ' N ' ' A' ' 14' ' ' GLY . 0.0 OUTLIER -52.83 -42.21 41.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.913 0.387 . . . . 74.129999999999995 111.179 -179.963 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . 0.401 ' N ' HG23 ' A' ' 13' ' ' ILE . . . -55.22 -21.09 24.4 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.702 -0.761 . . . . 55.530000000000001 112.511 179.882 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.74 ' O ' HG22 ' A' ' 19' ' ' VAL . . . -80.6 -21.68 41.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.82 0.343 . . . . 64.109999999999999 111.133 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.433 ' O ' HD12 ' A' ' 20' ' ' LEU . 38.6 t -67.32 -21.18 27.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.207 -0.451 . . . . 62.229999999999997 111.113 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -108.01 -19.6 13.45 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.224 -0.444 . . . . 61.409999999999997 110.889 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 27.3 ttpt -70.87 -37.24 73.04 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.223 -0.444 . . . . 74.019999999999996 110.897 179.842 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.74 HG22 ' O ' ' A' ' 15' ' ' ALA . 9.7 m -93.72 -31.07 4.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.167 -0.47 . . . . 74.230000000000004 111.159 179.877 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.529 ' HB3' HD12 ' A' ' 24' ' ' LEU . 4.1 mt -53.83 -23.23 11.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 74.439999999999998 110.876 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.5 m -72.57 -30.01 64.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 41.509999999999998 111.133 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 89.4 m -56.48 -24.84 48.61 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.189 -0.46 . . . . 55.109999999999999 111.171 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -119.49 -12.44 6.75 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.711 -0.757 . . . . 71.349999999999994 112.463 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.529 HD12 ' HB3' ' A' ' 20' ' ' LEU . 33.3 mt . . . . . 0 C--N 1.329 -0.32 0 CA-C-O 120.813 0.34 . . . . 75.200000000000003 110.912 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.357 0 N-CA-C 112.521 -0.232 . . . . 70.019999999999996 112.521 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . 0.431 ' H ' HD12 ' A' ' 2' ' ' ILE . 3.4 mp -59.76 -25.19 31.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-O 120.904 0.383 . . . . 50.119999999999997 111.092 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -56.68 -17.78 21.84 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.735 -0.745 . . . . 74.519999999999996 112.538 179.884 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 1.2 pttp -81.18 -36.13 30.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.852 0.358 . . . . 42.130000000000003 110.904 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -80.96 -40.2 24.82 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.202 -0.454 . . . . 62.25 111.119 179.844 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.406 HD23 ' C ' ' A' ' 6' ' ' LEU . 3.6 tt -68.6 -27.07 65.72 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.198 -0.456 . . . . 74.510000000000005 110.875 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -70.69 -40.17 73.05 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.208 -0.451 . . . . 71.200000000000003 110.884 179.845 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 2.1 pttp -80.73 -20.22 43.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.461 . . . . 63.219999999999999 110.92 179.865 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -67.92 -19.65 65.01 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.195 -0.457 . . . . 53.439999999999998 111.12 179.851 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.42 -31.51 48.18 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.191 -0.458 . . . . 75.450000000000003 110.934 179.94 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 2.1 pttt -89.97 -26.47 20.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.233 -0.44 . . . . 75.0 110.916 179.83 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -95.6 10.83 68.81 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.725 -0.75 . . . . 73.299999999999997 112.494 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -52.98 -42.23 43.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.881 0.372 . . . . 43.329999999999998 111.112 -179.929 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -55.18 -21.08 24.12 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.739 -0.743 . . . . 61.039999999999999 112.465 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.738 ' O ' HG22 ' A' ' 19' ' ' VAL . . . -80.48 -21.79 41.67 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.801 0.334 . . . . 42.229999999999997 111.078 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.43 ' O ' HD12 ' A' ' 20' ' ' LEU . 38.9 t -67.25 -21.25 27.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 61.229999999999997 111.12 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -107.94 -19.53 13.48 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.214 -0.448 . . . . 75.519999999999996 110.932 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 3.7 ttpp -70.98 -37.13 72.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.215 -0.448 . . . . 75.030000000000001 110.918 179.806 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.738 HG22 ' O ' ' A' ' 15' ' ' ALA . 9.5 m -93.74 -31.15 4.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.223 -0.444 . . . . 33.539999999999999 111.093 179.873 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.43 HD12 ' O ' ' A' ' 16' ' ' VAL . 4.1 mt -53.87 -23.13 11.58 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.209 -0.451 . . . . 72.349999999999994 110.9 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.5 m -72.79 -29.82 63.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 61.030000000000001 111.144 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 40.8 m -56.74 -24.64 51.23 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.253 -0.431 . . . . 65.239999999999995 111.16 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -119.93 -12.08 6.68 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.683 -0.77 . . . . 75.439999999999998 112.462 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 10.2 tt . . . . . 0 C--N 1.328 -0.349 0 CA-C-O 120.834 0.349 . . . . 72.409999999999997 110.896 -179.916 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 N-CA-C 112.475 -0.25 . . . . 60.130000000000003 112.475 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 41.3 mm -59.7 -24.82 30.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.859 0.362 . . . . 72.540000000000006 111.14 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -56.5 -18.2 22.05 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.732 -0.747 . . . . 64.5 112.517 179.914 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 14.3 ptmt -82.15 -35.22 28.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.76 0.314 . . . . 72.400000000000006 110.848 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -80.19 -40.1 27.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.281 -0.418 . . . . 74.439999999999998 111.064 179.854 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.435 HD13 ' O ' ' A' ' 6' ' ' LEU . 0.2 OUTLIER -68.22 -23.59 64.83 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.259 -0.428 . . . . 73.25 110.945 -179.97 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -80.25 -28.77 38.4 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.13 -0.486 . . . . 71.239999999999995 110.873 179.831 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.57 -24.71 63.97 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.253 -0.431 . . . . 71.299999999999997 110.909 179.881 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.94 -25.77 67.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.26 -0.427 . . . . 43.200000000000003 111.098 179.818 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 3.7 ptmt -53.88 -31.87 51.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.226 -0.443 . . . . 75.420000000000002 110.888 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 5.7 mtmt -89.05 -25.35 21.99 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.209 -0.45 . . . . 71.200000000000003 110.874 179.902 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -89.23 6.99 83.06 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.742 -0.742 . . . . 51.32 112.464 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.574 ' O ' HG12 ' A' ' 16' ' ' VAL . 0.0 OUTLIER -52.99 -42.59 44.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.836 0.35 . . . . 75.420000000000002 111.113 -179.936 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -54.56 -20.86 19.05 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.681 -0.771 . . . . 25.510000000000002 112.476 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.726 ' O ' HG22 ' A' ' 19' ' ' VAL . . . -73.76 -22.3 59.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.809 0.337 . . . . 42.100000000000001 111.089 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.574 HG12 ' O ' ' A' ' 13' ' ' ILE . 3.8 p -63.7 -15.41 16.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.246 -0.434 . . . . 65.310000000000002 111.103 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -115.39 -24.81 8.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 74.430000000000007 110.895 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 25.9 ttmt -65.58 -45.85 81.67 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.198 -0.455 . . . . 75.200000000000003 110.905 179.813 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.726 HG22 ' O ' ' A' ' 15' ' ' ALA . 14.2 m -86.13 -31.7 6.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.177 -0.465 . . . . 60.539999999999999 111.119 179.882 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.436 HD23 ' O ' ' A' ' 16' ' ' VAL . 0.8 OUTLIER -53.5 -23.14 9.52 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.187 -0.461 . . . . 73.409999999999997 110.91 179.936 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.4 m -72.1 -30.08 64.73 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.21 -0.45 . . . . 70.519999999999996 111.142 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 7.6 m -56.47 -24.4 45.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.45 . . . . 41.439999999999998 111.148 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -120.0 -12.66 6.34 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.74 -0.743 . . . . 61.119999999999997 112.473 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 1.4 tp . . . . . 0 C--N 1.328 -0.356 0 CA-C-O 120.83 0.348 . . . . 73.120000000000005 110.9 -179.899 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.37 0 N-CA-C 112.515 -0.234 . . . . 71.420000000000002 112.515 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 2.3 mp -59.8 -23.24 25.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 120.922 0.392 . . . . 64.450000000000003 111.138 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -56.49 -18.01 21.33 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.796 -0.716 . . . . 71.049999999999997 112.498 179.91 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.29 -35.97 30.41 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.84 0.352 . . . . 44.439999999999998 110.908 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -81.14 -40.23 24.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.176 -0.465 . . . . 40.100000000000001 111.122 179.828 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.563 HD13 ' O ' ' A' ' 6' ' ' LEU . 0.4 OUTLIER -66.1 -34.89 79.08 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.209 -0.45 . . . . 73.239999999999995 110.921 -179.982 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 9.9 mttt -65.98 -40.32 91.12 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.181 -0.463 . . . . 74.049999999999997 110.88 179.873 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 4.1 pttp -80.5 -27.81 37.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.196 -0.457 . . . . 74.340000000000003 110.924 179.876 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.95 -20.1 55.66 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.209 -0.45 . . . . 52.109999999999999 111.081 179.832 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 11.0 ptmt -51.97 -33.33 37.33 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.24 -0.436 . . . . 73.430000000000007 110.834 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 6.7 pttp -76.21 -32.76 59.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.256 -0.429 . . . . 64.540000000000006 110.906 179.915 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -90.27 15.8 58.95 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.761 -0.733 . . . . 72.409999999999997 112.503 179.885 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.571 ' O ' HG12 ' A' ' 16' ' ' VAL . 0.0 OUTLIER -52.65 -42.75 41.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.857 0.36 . . . . 71.329999999999998 111.139 -179.942 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . 0.408 ' N ' HG23 ' A' ' 13' ' ' ILE . . . -53.39 -22.18 14.95 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.755 -0.735 . . . . 63.119999999999997 112.468 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.73 ' O ' HG22 ' A' ' 19' ' ' VAL . . . -70.29 -25.84 63.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.766 0.317 . . . . 74.230000000000004 111.045 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.571 HG12 ' O ' ' A' ' 13' ' ' ILE . 4.6 p -58.87 -21.36 18.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.275 -0.421 . . . . 72.0 111.111 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -109.26 -23.77 11.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 75.310000000000002 110.918 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 2.6 mmpt? -66.98 -41.03 87.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 72.010000000000005 110.92 179.799 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.73 HG22 ' O ' ' A' ' 15' ' ' ALA . 11.7 m -89.54 -32.03 5.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 73.230000000000004 111.138 179.869 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.44 HD12 ' O ' ' A' ' 16' ' ' VAL . 3.0 mt -52.04 -24.6 6.95 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.193 -0.458 . . . . 74.049999999999997 110.938 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 19.8 p -68.74 -33.58 74.16 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.193 -0.458 . . . . 75.209999999999994 111.165 179.914 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 94.7 m -51.49 -27.7 11.31 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.18 -0.464 . . . . 73.120000000000005 111.123 -179.924 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -119.12 -9.3 8.88 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.79 -0.719 . . . . 52.409999999999997 112.513 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 19.4 tp . . . . . 0 C--N 1.329 -0.309 0 CA-C-O 120.759 0.314 . . . . 74.340000000000003 110.902 -179.91 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.327 0 N-CA-C 112.527 -0.229 . . . . 73.340000000000003 112.527 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 2.5 mp -59.79 -22.98 25.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.847 0.356 . . . . 54.130000000000003 111.119 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -56.39 -18.24 21.43 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.709 -0.758 . . . . 73.129999999999995 112.498 179.902 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.96 -36.17 28.25 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.806 0.336 . . . . 64.450000000000003 110.88 -179.942 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -81.43 -35.27 30.85 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.212 -0.449 . . . . 51.229999999999997 111.148 179.792 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -77.16 -19.75 56.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.177 -0.465 . . . . 65.420000000000002 110.897 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 10.4 ttpt -80.13 -31.51 39.05 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.231 -0.44 . . . . 73.209999999999994 110.926 179.824 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.41 -24.51 39.61 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.444 . . . . 71.219999999999999 110.885 179.882 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -67.24 -19.96 65.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.226 -0.443 . . . . 53.130000000000003 111.082 179.845 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.82 -59.05 5.4 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.254 -0.43 . . . . 51.119999999999997 110.906 179.937 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -75.84 -23.3 55.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.231 -0.44 . . . . 71.439999999999998 110.912 179.85 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -86.31 8.55 73.77 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.764 -0.731 . . . . 64.5 112.529 179.898 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -52.95 -42.11 42.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.834 0.35 . . . . 75.530000000000001 111.117 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -55.45 -20.87 25.03 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.759 -0.734 . . . . 70.109999999999999 112.486 179.918 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.718 ' O ' HG22 ' A' ' 19' ' ' VAL . . . -82.26 -20.6 37.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.833 0.349 . . . . 73.049999999999997 111.125 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.425 ' O ' HD23 ' A' ' 20' ' ' LEU . 21.6 t -68.13 -12.38 15.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 74.109999999999999 111.119 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -117.18 -24.59 7.43 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.185 -0.461 . . . . 70.010000000000005 110.93 179.911 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 30.9 ttmt -66.0 -45.69 80.68 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.207 -0.451 . . . . 63.32 110.939 179.781 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.718 HG22 ' O ' ' A' ' 15' ' ' ALA . 13.1 m -86.87 -30.95 5.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.229 -0.441 . . . . 65.329999999999998 111.156 179.83 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.425 HD23 ' O ' ' A' ' 16' ' ' VAL . 0.7 OUTLIER -53.77 -23.0 10.55 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.209 -0.45 . . . . 74.099999999999994 110.919 179.983 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.4 m -71.83 -30.03 65.05 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.192 -0.458 . . . . 65.450000000000003 111.113 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 25.8 m -56.14 -24.75 42.93 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.251 -0.431 . . . . 65.150000000000006 111.17 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -119.21 -13.33 6.45 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.713 -0.756 . . . . 72.230000000000004 112.427 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.328 -0.334 0 CA-C-O 120.882 0.372 . . . . 75.430000000000007 110.908 -179.942 . . . . . . . . 1 1 . 1 stop_ save_